GET /third-parties/MatprojStructure/?format=api&ordering=nsites&page=12133
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=12134",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=12132",
    "results": [
        {
            "id": "mp-685318",
            "created_at": "2022-09-04T14:39:59.342466Z",
            "structure_string": "Bi60 As4 O100\n1.0\n15.596672 -7.350991 0.000000\n15.596672 7.350991 0.000000\n12.132018 0.000000 12.251831\nBi As O\n60 4 100\ndirect\n0.282553 0.081834 0.431877 Bi\n0.198446 0.029693 0.721318 Bi\n0.485667 0.184284 0.319415 Bi\n0.443276 0.101193 0.608238 Bi\n0.208656 0.078873 0.901602 Bi\n0.691953 0.181435 0.387944 Bi\n0.495044 0.006742 0.845944 Bi\n0.482350 0.280188 0.626458 Bi\n0.982276 0.128624 0.282757 Bi\n0.792024 0.085558 0.589189 Bi\n0.401177 0.249601 0.904147 Bi\n0.681666 0.023866 0.889077 Bi\n0.681988 0.381038 0.526677 Bi\n0.985627 0.187801 0.496125 Bi\n0.646467 0.303063 0.799854 Bi\n0.431877 0.282553 0.081834 Bi\n0.922515 0.092604 0.793377 Bi\n0.888262 0.392185 0.587193 Bi\n0.721318 0.198446 0.029693 Bi\n0.679272 0.483713 0.827040 Bi\n0.184284 0.319415 0.485667 Bi\n0.977114 0.277330 0.799493 Bi\n0.608238 0.443276 0.101193 Bi\n0.901602 0.208656 0.078873 Bi\n0.882246 0.578492 0.726634 Bi\n0.181435 0.387944 0.691953 Bi\n0.845944 0.495044 0.006742 Bi\n0.626458 0.482350 0.280188 Bi\n0.128624 0.282757 0.982276 Bi\n0.085558 0.589189 0.792024 Bi\n0.904147 0.401177 0.249601 Bi\n0.889077 0.681666 0.023866 Bi\n0.381038 0.526677 0.681988 Bi\n0.187801 0.496125 0.985627 Bi\n0.799854 0.646467 0.303063 Bi\n0.081834 0.431877 0.282553 Bi\n0.092604 0.793377 0.922515 Bi\n0.392185 0.587193 0.888262 Bi\n0.029693 0.721318 0.198446 Bi\n0.827040 0.679272 0.483713 Bi\n0.319415 0.485667 0.184284 Bi\n0.277330 0.799493 0.977114 Bi\n0.101193 0.608238 0.443276 Bi\n0.078873 0.901602 0.208656 Bi\n0.578492 0.726634 0.882246 Bi\n0.387944 0.691953 0.181435 Bi\n0.006742 0.845944 0.495044 Bi\n0.280188 0.626458 0.482350 Bi\n0.282757 0.982276 0.128624 Bi\n0.589189 0.792024 0.085558 Bi\n0.249601 0.904147 0.401177 Bi\n0.023866 0.889077 0.681666 Bi\n0.526677 0.681988 0.381038 Bi\n0.496125 0.985627 0.187801 Bi\n0.303063 0.799854 0.646467 Bi\n0.793377 0.922515 0.092604 Bi\n0.587193 0.888262 0.392185 Bi\n0.483713 0.827040 0.679272 Bi\n0.799493 0.977114 0.277330 Bi\n0.726634 0.882246 0.578492 Bi\n0.200698 0.200698 0.200698 As\n0.399871 0.399871 0.399871 As\n0.599951 0.599951 0.599951 As\n0.799691 0.799691 0.799691 As\n0.054660 0.054660 0.054660 O\n0.123071 0.123071 0.123071 O\n0.124705 0.121653 0.315900 O\n0.315900 0.124705 0.121653 O\n0.238968 0.238968 0.238968 O\n0.443091 0.079895 0.329031 O\n0.655385 0.015266 0.277471 O\n0.269915 0.149700 0.529765 O\n0.320444 0.320444 0.320444 O\n0.779115 0.147132 0.147565 O\n0.147132 0.147565 0.779115 O\n0.680415 0.049196 0.419785 O\n0.323318 0.322342 0.515956 O\n0.515956 0.323318 0.322342 O\n0.373216 0.123531 0.750089 O\n0.884318 0.125014 0.244096 O\n0.559620 0.161219 0.558296 O\n0.438411 0.438411 0.438411 O\n0.819208 0.077768 0.454942 O\n0.326964 0.072051 0.957737 O\n0.524182 0.146953 0.770482 O\n0.641603 0.282363 0.527954 O\n0.856358 0.216980 0.478502 O\n0.469301 0.355032 0.730962 O\n0.520651 0.520651 0.520651 O\n0.546798 0.171900 0.925611 O\n0.926052 0.048947 0.676348 O\n0.960681 0.359827 0.360812 O\n0.359827 0.360812 0.960681 O\n0.872811 0.261525 0.617681 O\n0.751687 0.132387 0.871072 O\n0.715321 0.522991 0.522574 O\n0.522991 0.522574 0.715321 O\n0.572291 0.329148 0.941535 O\n0.079895 0.329031 0.443091 O\n0.753471 0.369576 0.753523 O\n0.638398 0.638398 0.638398 O\n0.015266 0.277471 0.655385 O\n0.529765 0.269915 0.149700 O\n0.890342 0.163876 0.890630 O\n0.726060 0.348943 0.968546 O\n0.839087 0.482542 0.725657 O\n0.049196 0.419785 0.680415 O\n0.669336 0.554926 0.929183 O\n0.719638 0.719638 0.719638 O\n0.750089 0.373216 0.123531 O\n0.125014 0.244096 0.884318 O\n0.161219 0.558296 0.559620 O\n0.558296 0.559620 0.161219 O\n0.077768 0.454942 0.819208 O\n0.957737 0.326964 0.072051 O\n0.720680 0.724745 0.915780 O\n0.915780 0.720680 0.724745 O\n0.770482 0.524182 0.146953 O\n0.282363 0.527954 0.641603 O\n0.958550 0.559775 0.960779 O\n0.838448 0.838448 0.838448 O\n0.216980 0.478502 0.856358 O\n0.730962 0.469301 0.355032 O\n0.121653 0.315900 0.124705 O\n0.925611 0.546798 0.171900 O\n0.048947 0.676348 0.926052 O\n0.261525 0.617681 0.872811 O\n0.871072 0.751687 0.132387 O\n0.926696 0.926696 0.926696 O\n0.941535 0.572291 0.329148 O\n0.329031 0.443091 0.079895 O\n0.369576 0.753523 0.753471 O\n0.753523 0.753471 0.369576 O\n0.277471 0.655385 0.015266 O\n0.149700 0.529765 0.269915 O\n0.890630 0.890342 0.163876 O\n0.163876 0.890630 0.890342 O\n0.968546 0.726060 0.348943 O\n0.482542 0.725657 0.839087 O\n0.147565 0.779115 0.147132 O\n0.419785 0.680415 0.049196 O\n0.929183 0.669336 0.554926 O\n0.322342 0.515956 0.323318 O\n0.123531 0.750089 0.373216 O\n0.244096 0.884318 0.125014 O\n0.454942 0.819208 0.077768 O\n0.072051 0.957737 0.326964 O\n0.146953 0.770482 0.524182 O\n0.527954 0.641603 0.282363 O\n0.559775 0.960779 0.958550 O\n0.960779 0.958550 0.559775 O\n0.478502 0.856358 0.216980 O\n0.355032 0.730962 0.469301 O\n0.171900 0.925611 0.546798 O\n0.676348 0.926052 0.048947 O\n0.360812 0.960681 0.359827 O\n0.617681 0.872811 0.261525 O\n0.132387 0.871072 0.751687 O\n0.522574 0.715321 0.522991 O\n0.329148 0.941535 0.572291 O\n0.348943 0.968546 0.726060 O\n0.725657 0.839087 0.482542 O\n0.554926 0.929183 0.669336 O\n0.724745 0.915780 0.720680 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Bi",
                "As",
                "O"
            ],
            "chemical_system": "As-Bi-O",
            "density": 8.534161545631628,
            "density_atomic": 0.05837609295466976,
            "volume": 2809.3692417433517,
            "volume_molar": 10.316107939385933,
            "formula_full": "Bi60 As4 O100",
            "formula_reduced": "Bi15AsO25",
            "formula_anonymous": "AB15C25",
            "energy": -1019.37222761,
            "energy_per_atom": -6.215684314695122,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -950.67222761,
            "band_gap": 2.3058,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0034345,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.290000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-1212564",
            "created_at": "2022-09-04T14:39:13.405033Z",
            "structure_string": "Sm8 N48 O108\n1.0\n13.422762 0.000000 0.000000\n0.000000 13.422762 0.000000\n0.000000 0.000000 13.422762\nSm N O\n8 48 108\ndirect\n0.049387 0.049387 0.049387 Sm\n0.450613 0.950613 0.549387 Sm\n0.950613 0.549387 0.450613 Sm\n0.799387 0.299387 0.200613 Sm\n0.549387 0.450613 0.950613 Sm\n0.700613 0.700613 0.700613 Sm\n0.299387 0.200613 0.799387 Sm\n0.200613 0.799387 0.299387 Sm\n0.088960 0.386159 0.385487 N\n0.411040 0.613841 0.885487 N\n0.911040 0.886159 0.114513 N\n0.385487 0.088960 0.386159 N\n0.136159 0.338960 0.864513 N\n0.588960 0.113841 0.614513 N\n0.885487 0.411040 0.613841 N\n0.363841 0.661040 0.364513 N\n0.114513 0.911040 0.886159 N\n0.636159 0.161040 0.135487 N\n0.614513 0.588960 0.113841 N\n0.863841 0.838960 0.635487 N\n0.386159 0.385487 0.088960 N\n0.838960 0.635487 0.863841 N\n0.886159 0.114513 0.911040 N\n0.661040 0.364513 0.363841 N\n0.113841 0.614513 0.588960 N\n0.338960 0.864513 0.136159 N\n0.613841 0.885487 0.411040 N\n0.161040 0.135487 0.636159 N\n0.864513 0.136159 0.338960 N\n0.364513 0.363841 0.661040 N\n0.635487 0.863841 0.838960 N\n0.135487 0.636159 0.161040 N\n0.125000 0.210699 0.460699 N\n0.375000 0.789301 0.960699 N\n0.875000 0.710699 0.039301 N\n0.460699 0.125000 0.210699 N\n0.960699 0.375000 0.789301 N\n0.625000 0.289301 0.539301 N\n0.539301 0.625000 0.289301 N\n0.039301 0.875000 0.710699 N\n0.210699 0.460699 0.125000 N\n0.710699 0.039301 0.875000 N\n0.289301 0.539301 0.625000 N\n0.789301 0.960699 0.375000 N\n0.125000 0.008284 0.258284 N\n0.375000 0.991716 0.758284 N\n0.875000 0.508284 0.241716 N\n0.258284 0.125000 0.008284 N\n0.758284 0.375000 0.991716 N\n0.625000 0.491716 0.741716 N\n0.741716 0.625000 0.491716 N\n0.241716 0.875000 0.508284 N\n0.008284 0.258284 0.125000 N\n0.508284 0.241716 0.875000 N\n0.491716 0.741716 0.625000 N\n0.991716 0.758284 0.375000 N\n0.125000 0.939475 0.189475 O\n0.375000 0.060525 0.689475 O\n0.875000 0.439475 0.310525 O\n0.189475 0.125000 0.939475 O\n0.689475 0.375000 0.060525 O\n0.625000 0.560525 0.810525 O\n0.810525 0.625000 0.560525 O\n0.310525 0.875000 0.439475 O\n0.939475 0.189475 0.125000 O\n0.439475 0.310525 0.875000 O\n0.560525 0.810525 0.625000 O\n0.060525 0.689475 0.375000 O\n0.025458 0.377412 0.454735 O\n0.474542 0.622588 0.954735 O\n0.974542 0.877412 0.045265 O\n0.454735 0.025458 0.377412 O\n0.127412 0.275458 0.795265 O\n0.525458 0.122588 0.545265 O\n0.954735 0.474542 0.622588 O\n0.372588 0.724542 0.295265 O\n0.045265 0.974542 0.877412 O\n0.627412 0.224542 0.204735 O\n0.545265 0.525458 0.122588 O\n0.872588 0.775458 0.704735 O\n0.377412 0.454735 0.025458 O\n0.775458 0.704735 0.872588 O\n0.877412 0.045265 0.974542 O\n0.724542 0.295265 0.372588 O\n0.122588 0.545265 0.525458 O\n0.275458 0.795265 0.127412 O\n0.622588 0.954735 0.474542 O\n0.224542 0.204735 0.627412 O\n0.795265 0.127412 0.275458 O\n0.295265 0.372588 0.724542 O\n0.704735 0.872588 0.775458 O\n0.204735 0.627412 0.224542 O\n0.092482 0.465261 0.335661 O\n0.407518 0.534739 0.835661 O\n0.907518 0.965261 0.164339 O\n0.335661 0.092482 0.465261 O\n0.215261 0.342482 0.914339 O\n0.592482 0.034739 0.664339 O\n0.835661 0.407518 0.534739 O\n0.284739 0.657518 0.414339 O\n0.164339 0.907518 0.965261 O\n0.715261 0.157518 0.085661 O\n0.664339 0.592482 0.034739 O\n0.784739 0.842482 0.585661 O\n0.465261 0.335661 0.092482 O\n0.842482 0.585661 0.784739 O\n0.965261 0.164339 0.907518 O\n0.657518 0.414339 0.284739 O\n0.034739 0.664339 0.592482 O\n0.342482 0.914339 0.215261 O\n0.534739 0.835661 0.407518 O\n0.157518 0.085661 0.715261 O\n0.914339 0.215261 0.342482 O\n0.414339 0.284739 0.657518 O\n0.585661 0.784739 0.842482 O\n0.085661 0.715261 0.157518 O\n0.149587 0.314638 0.366337 O\n0.350413 0.685362 0.866337 O\n0.850413 0.814638 0.133663 O\n0.366337 0.149587 0.314638 O\n0.064638 0.399587 0.883663 O\n0.649587 0.185362 0.633663 O\n0.866337 0.350413 0.685362 O\n0.435362 0.600413 0.383663 O\n0.133663 0.850413 0.814638 O\n0.564638 0.100413 0.116337 O\n0.633663 0.649587 0.185362 O\n0.935362 0.899587 0.616337 O\n0.314638 0.366337 0.149587 O\n0.899587 0.616337 0.935362 O\n0.814638 0.133663 0.850413 O\n0.600413 0.383663 0.435362 O\n0.185362 0.633663 0.649587 O\n0.399587 0.883663 0.064638 O\n0.685362 0.866337 0.350413 O\n0.100413 0.116337 0.564638 O\n0.883663 0.064638 0.399587 O\n0.383663 0.435362 0.600413 O\n0.616337 0.935362 0.899587 O\n0.116337 0.564638 0.100413 O\n0.085936 0.090085 0.237814 O\n0.414064 0.909915 0.737814 O\n0.914064 0.590085 0.262186 O\n0.237814 0.085936 0.090085 O\n0.840085 0.335936 0.012186 O\n0.585936 0.409915 0.762186 O\n0.737814 0.414064 0.909915 O\n0.659915 0.664064 0.512186 O\n0.262186 0.914064 0.590085 O\n0.340085 0.164064 0.987814 O\n0.762186 0.585936 0.409915 O\n0.159915 0.835936 0.487814 O\n0.090085 0.237814 0.085936 O\n0.835936 0.487814 0.159915 O\n0.590085 0.262186 0.914064 O\n0.664064 0.512186 0.659915 O\n0.409915 0.762186 0.585936 O\n0.335936 0.012186 0.840085 O\n0.909915 0.737814 0.414064 O\n0.164064 0.987814 0.340085 O\n0.012186 0.840085 0.335936 O\n0.512186 0.659915 0.664064 O\n0.487814 0.159915 0.835936 O\n0.987814 0.340085 0.164064 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Sm",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Sm",
            "density": 2.4740255447299795,
            "density_atomic": 0.06781381525711518,
            "volume": 2418.386273920678,
            "volume_molar": 8.880403996098927,
            "formula_full": "Sm8 N48 O108",
            "formula_reduced": "Sm2(N4O9)3",
            "formula_anonymous": "A2B12C27",
            "energy": -1098.50287626,
            "energy_per_atom": -6.698188269878049,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1024.30687626,
            "band_gap": 2.4395,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.9999985,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:32.434000Z",
            "spacegroup": 213
        },
        {
            "id": "mp-667389",
            "created_at": "2022-09-04T14:42:51.380012Z",
            "structure_string": "Os24 C68 S4 O68\n1.0\n11.522314 0.000000 0.000000\n0.000000 14.279065 0.000000\n0.000000 0.000000 16.701499\nOs C S O\n24 68 4 68\ndirect\n0.894249 0.149240 0.127229 Os\n0.444416 0.652458 0.046610 Os\n0.394249 0.149240 0.372771 Os\n0.518657 0.736315 0.481752 Os\n0.798789 0.145403 0.890256 Os\n0.481343 0.236315 0.518248 Os\n0.981343 0.236315 0.981752 Os\n0.701211 0.645403 0.390256 Os\n0.739524 0.263568 0.026066 Os\n0.783483 0.562446 0.539708 Os\n0.216517 0.062446 0.460292 Os\n0.283483 0.562446 0.960292 Os\n0.760476 0.763568 0.526066 Os\n0.201211 0.645403 0.109744 Os\n0.944416 0.652458 0.453390 Os\n0.105751 0.649240 0.872771 Os\n0.260476 0.763568 0.973934 Os\n0.605751 0.649240 0.627229 Os\n0.298789 0.145403 0.609744 Os\n0.555584 0.152458 0.953390 Os\n0.018657 0.736315 0.018248 Os\n0.716517 0.062446 0.039708 Os\n0.239524 0.263568 0.473934 Os\n0.055584 0.152458 0.546610 Os\n0.830829 0.855384 0.457447 C\n0.930895 0.127587 0.821897 C\n0.516640 0.740069 0.118573 C\n0.483363 0.047180 0.907589 C\n0.370378 0.759936 0.888318 C\n0.765241 0.734959 0.317419 C\n0.734759 0.234959 0.817419 C\n0.814860 0.438681 0.509408 C\n0.185140 0.938681 0.490592 C\n0.430895 0.127587 0.678103 C\n0.358779 0.232951 0.287482 C\n0.961640 0.337956 0.909861 C\n0.569105 0.627587 0.321897 C\n0.629622 0.259936 0.111682 C\n0.060967 0.303818 0.063504 C\n0.123409 0.194129 0.935984 C\n0.345517 0.046183 0.309604 C\n0.461640 0.337956 0.590139 C\n0.314860 0.438681 0.990592 C\n0.169171 0.355384 0.542553 C\n0.538360 0.837956 0.409861 C\n0.623409 0.194129 0.564016 C\n0.569769 0.659078 0.974660 C\n0.817822 0.366066 0.077125 C\n0.669171 0.355384 0.957447 C\n0.947683 0.631810 0.841136 C\n0.483360 0.240069 0.881427 C\n0.773278 0.539028 0.340995 C\n0.685140 0.938681 0.009408 C\n0.682178 0.866066 0.577125 C\n0.870378 0.759936 0.611682 C\n0.016637 0.547180 0.407589 C\n0.447683 0.631810 0.658864 C\n0.234759 0.234959 0.682581 C\n0.129622 0.259936 0.388318 C\n0.265241 0.734959 0.182581 C\n0.317822 0.366066 0.422875 C\n0.388728 0.543823 0.876190 C\n0.560967 0.303818 0.436496 C\n0.330829 0.855384 0.042553 C\n0.858779 0.232951 0.212518 C\n0.430231 0.159078 0.025340 C\n0.052317 0.131810 0.158864 C\n0.016640 0.740069 0.381427 C\n0.516637 0.547180 0.092411 C\n0.888728 0.543823 0.623810 C\n0.141221 0.732951 0.787482 C\n0.226722 0.039028 0.659005 C\n0.726722 0.039028 0.840995 C\n0.273278 0.539028 0.159005 C\n0.611272 0.043823 0.123810 C\n0.552317 0.131810 0.341136 C\n0.439033 0.803818 0.563504 C\n0.154483 0.546183 0.809604 C\n0.654483 0.546183 0.690396 C\n0.939033 0.803818 0.936496 C\n0.069769 0.659078 0.525340 C\n0.845517 0.046183 0.190396 C\n0.641221 0.732951 0.712518 C\n0.182178 0.866066 0.922875 C\n0.111272 0.043823 0.376190 C\n0.069105 0.627587 0.178103 C\n0.983360 0.240069 0.618573 C\n0.983363 0.047180 0.592411 C\n0.930231 0.159078 0.474660 C\n0.876591 0.694129 0.064016 C\n0.038360 0.837956 0.090139 C\n0.376591 0.694129 0.435984 C\n0.418069 0.067791 0.502583 S\n0.581931 0.567791 0.497417 S\n0.081931 0.567791 0.002583 S\n0.918069 0.067791 0.997417 S\n0.708126 0.167005 0.593886 O\n0.947820 0.401086 0.867062 O\n0.331898 0.281639 0.235058 O\n0.354092 0.433228 0.392379 O\n0.628306 0.418120 0.923093 O\n0.437465 0.290352 0.836936 O\n0.390837 0.849709 0.610502 O\n0.645442 0.659364 0.928942 O\n0.993103 0.613939 0.222185 O\n0.854092 0.433228 0.107621 O\n0.668102 0.781639 0.764942 O\n0.168102 0.781639 0.735058 O\n0.662920 0.861506 0.991316 O\n0.699894 0.287443 0.770195 O\n0.837080 0.361506 0.491316 O\n0.063310 0.481765 0.381301 O\n0.563310 0.481765 0.118699 O\n0.062535 0.790352 0.336936 O\n0.300106 0.787443 0.229805 O\n0.800106 0.787443 0.270195 O\n0.447820 0.401086 0.632938 O\n0.871694 0.918120 0.423093 O\n0.371694 0.918120 0.076907 O\n0.937465 0.290352 0.663064 O\n0.810296 0.474684 0.307375 O\n0.851440 0.620049 0.823647 O\n0.208126 0.167005 0.906114 O\n0.068033 0.261515 0.333171 O\n0.826003 0.985014 0.234035 O\n0.351440 0.620049 0.676353 O\n0.493103 0.613939 0.277815 O\n0.145908 0.933228 0.892379 O\n0.173997 0.485014 0.765965 O\n0.128306 0.418120 0.576907 O\n0.046681 0.030592 0.323559 O\n0.689704 0.974684 0.807375 O\n0.645908 0.933228 0.607621 O\n0.354558 0.159364 0.071058 O\n0.199894 0.287443 0.729805 O\n0.506897 0.113939 0.722185 O\n0.791874 0.667005 0.093886 O\n0.936690 0.981765 0.618699 O\n0.436690 0.981765 0.881301 O\n0.552180 0.901086 0.367062 O\n0.431967 0.761515 0.833171 O\n0.854558 0.159364 0.428942 O\n0.953319 0.530593 0.676441 O\n0.673997 0.485014 0.734035 O\n0.609163 0.349709 0.389498 O\n0.831898 0.281639 0.264942 O\n0.546681 0.030592 0.176441 O\n0.145442 0.659364 0.571058 O\n0.562535 0.790352 0.163064 O\n0.148560 0.120049 0.176353 O\n0.291874 0.667005 0.406114 O\n0.006897 0.113939 0.777815 O\n0.310296 0.474684 0.192625 O\n0.109163 0.349709 0.110502 O\n0.648560 0.120049 0.323647 O\n0.453319 0.530593 0.823559 O\n0.189704 0.974684 0.692625 O\n0.931967 0.761515 0.666829 O\n0.162920 0.861506 0.508684 O\n0.326003 0.985014 0.265965 O\n0.890837 0.849709 0.889498 O\n0.337080 0.361506 0.008684 O\n0.052180 0.901086 0.132938 O\n0.568033 0.261515 0.166829 O\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "Os",
                "C",
                "S",
                "O"
            ],
            "chemical_system": "C-O-Os-S",
            "density": 3.9874679440251266,
            "density_atomic": 0.05968276284857122,
            "volume": 2747.8620655700106,
            "volume_molar": 10.090251309711556,
            "formula_full": "Os24 C68 S4 O68",
            "formula_reduced": "Os6C17SO17",
            "formula_anonymous": "AB6C17D17",
            "energy": -1399.2568491600002,
            "energy_per_atom": -8.532053958292684,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1350.5288491600002,
            "band_gap": 1.4785,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0009096,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:49.226000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-729824",
            "created_at": "2022-09-04T14:39:06.038195Z",
            "structure_string": "Mn6 Mo4 H68 C44 N32 O10\n1.0\n11.785489 6.312209 -5.816275\n-11.785489 6.312209 5.816275\n-0.010224 0.000000 13.669698\nMn Mo H C N O\n6 4 68 44 32 10\ndirect\n0.067201 0.067201 0.250000 Mn\n0.932799 0.932799 0.750000 Mn\n0.304022 0.728770 0.539574 Mn\n0.728770 0.304022 0.960426 Mn\n0.695978 0.271230 0.460426 Mn\n0.271230 0.695978 0.039574 Mn\n0.053130 0.338518 0.826289 Mo\n0.338518 0.053130 0.673711 Mo\n0.946870 0.661482 0.173711 Mo\n0.661482 0.946870 0.326289 Mo\n0.255698 0.320216 0.231578 H\n0.320216 0.255698 0.268422 H\n0.744302 0.679784 0.768422 H\n0.679784 0.744302 0.731578 H\n0.461675 0.649844 0.642118 H\n0.649844 0.461675 0.857882 H\n0.538325 0.350156 0.357882 H\n0.350156 0.538325 0.142118 H\n0.376555 0.588917 0.721986 H\n0.588917 0.376555 0.778014 H\n0.623445 0.411083 0.278014 H\n0.411083 0.623445 0.221986 H\n0.628098 0.545766 0.966729 H\n0.545766 0.628098 0.533271 H\n0.371902 0.454234 0.033271 H\n0.454234 0.371902 0.466729 H\n0.511714 0.492431 0.877278 H\n0.492431 0.511714 0.622722 H\n0.488287 0.507569 0.122722 H\n0.507569 0.488287 0.377278 H\n0.532898 0.170157 0.110126 H\n0.170157 0.532898 0.389874 H\n0.467102 0.829843 0.889874 H\n0.829843 0.467102 0.610126 H\n0.477410 0.257609 0.007091 H\n0.257609 0.477410 0.492909 H\n0.522590 0.742391 0.992909 H\n0.742391 0.522590 0.507091 H\n0.498816 0.247715 0.148674 H\n0.247715 0.498816 0.351326 H\n0.501184 0.752285 0.851326 H\n0.752285 0.501184 0.648674 H\n0.377580 0.002867 0.024021 H\n0.002867 0.377580 0.475979 H\n0.622420 0.997133 0.975979 H\n0.997133 0.622420 0.524021 H\n0.222746 0.935398 0.017401 H\n0.935398 0.222746 0.482599 H\n0.777254 0.064602 0.982599 H\n0.064602 0.777254 0.517401 H\n0.301974 0.072855 0.925287 H\n0.072855 0.301974 0.574713 H\n0.698026 0.927145 0.074713 H\n0.927145 0.698026 0.425287 H\n0.290123 0.186094 0.108909 H\n0.186094 0.290123 0.391091 H\n0.709877 0.813906 0.891091 H\n0.813906 0.709877 0.608909 H\n0.259267 0.178183 0.971688 H\n0.178183 0.259267 0.528312 H\n0.740733 0.821817 0.028312 H\n0.821817 0.740733 0.471688 H\n0.170177 0.048218 0.064371 H\n0.048218 0.170177 0.435629 H\n0.829823 0.951782 0.935629 H\n0.951782 0.829823 0.564371 H\n0.396530 0.979299 0.222505 H\n0.979299 0.396530 0.277495 H\n0.603470 0.020701 0.777495 H\n0.020701 0.603470 0.722505 H\n0.366369 0.060939 0.260244 H\n0.060939 0.366369 0.239756 H\n0.633631 0.939061 0.739756 H\n0.939061 0.633631 0.760244 H\n0.245196 0.933388 0.200638 H\n0.933388 0.245196 0.299362 H\n0.754804 0.066612 0.799362 H\n0.066612 0.754804 0.700638 H\n0.047677 0.224245 0.992210 C\n0.224245 0.047677 0.507790 C\n0.952323 0.775755 0.007790 C\n0.775755 0.952323 0.492210 C\n0.119882 0.483658 0.688924 C\n0.483658 0.119882 0.811076 C\n0.880118 0.516342 0.311076 C\n0.516342 0.880118 0.188924 C\n0.820718 0.992811 0.293816 C\n0.992811 0.820718 0.206184 C\n0.179282 0.007189 0.706184 C\n0.007189 0.179282 0.793816 C\n0.905116 0.293673 0.689579 C\n0.293673 0.905116 0.810421 C\n0.094884 0.706327 0.310421 C\n0.706327 0.094884 0.189579 C\n0.922546 0.337847 0.864149 C\n0.337847 0.922546 0.635851 C\n0.077454 0.662153 0.135851 C\n0.662153 0.077454 0.364149 C\n0.156870 0.490417 0.906565 C\n0.490417 0.156870 0.593435 C\n0.843130 0.509583 0.093435 C\n0.509583 0.843130 0.406565 C\n0.239141 0.386196 0.851573 C\n0.386196 0.239141 0.648427 C\n0.760859 0.613804 0.148427 C\n0.613804 0.760859 0.351573 C\n0.472599 0.199234 0.088449 C\n0.199234 0.472599 0.411551 C\n0.527401 0.800766 0.911551 C\n0.800766 0.527401 0.588449 C\n0.309637 0.020391 0.008213 C\n0.020391 0.309637 0.491787 C\n0.690363 0.979609 0.991787 C\n0.979609 0.690363 0.508213 C\n0.260356 0.128156 0.056273 C\n0.128156 0.260356 0.443727 C\n0.739644 0.871844 0.943727 C\n0.871844 0.739644 0.556273 C\n0.338086 0.010462 0.200995 C\n0.010462 0.338086 0.299005 C\n0.661914 0.989538 0.799005 C\n0.989538 0.661914 0.700995 C\n0.042605 0.160936 0.079139 N\n0.160936 0.042605 0.420861 N\n0.957395 0.839064 0.920861 N\n0.839064 0.957395 0.579139 N\n0.165782 0.564483 0.618480 N\n0.564483 0.165782 0.881520 N\n0.834218 0.435517 0.381520 N\n0.435517 0.834218 0.118480 N\n0.912416 0.022783 0.283044 N\n0.022783 0.912416 0.216956 N\n0.087584 0.977217 0.716956 N\n0.977217 0.087584 0.783044 N\n0.825211 0.270374 0.613142 N\n0.270374 0.825211 0.886858 N\n0.174789 0.729626 0.386858 N\n0.729626 0.174789 0.113142 N\n0.855425 0.337529 0.891394 N\n0.337529 0.855425 0.608606 N\n0.144575 0.662471 0.108606 N\n0.662471 0.144575 0.391394 N\n0.209384 0.568963 0.951962 N\n0.568963 0.209384 0.548038 N\n0.790616 0.431037 0.048038 N\n0.431037 0.790616 0.451962 N\n0.340883 0.423048 0.864853 N\n0.423048 0.340883 0.635147 N\n0.659117 0.576952 0.135147 N\n0.576952 0.659117 0.364853 N\n0.345650 0.090185 0.088567 N\n0.090185 0.345650 0.411433 N\n0.654350 0.909815 0.911433 N\n0.909815 0.654350 0.588567 N\n0.241032 0.241032 0.250000 O\n0.758968 0.758968 0.750000 O\n0.424741 0.665998 0.675319 O\n0.665998 0.424741 0.824681 O\n0.575259 0.334002 0.324681 O\n0.334002 0.575259 0.175319 O\n0.599187 0.529132 0.893812 O\n0.529132 0.599187 0.606188 O\n0.400813 0.470868 0.106188 O\n0.470868 0.400813 0.393812 O\n",
            "nsites": 164,
            "nelements": 6,
            "elements": [
                "Mn",
                "Mo",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-Mn-Mo-N-O",
            "density": 1.5670312275441998,
            "density_atomic": 0.08066521371311214,
            "volume": 2033.094470973202,
            "volume_molar": 7.465598221084364,
            "formula_full": "Mn6 Mo4 H68 C44 N32 O10",
            "formula_reduced": "Mn3Mo2H34C22N16O5",
            "formula_anonymous": "A2B3C5D16E22F34",
            "energy": -1077.4423990399998,
            "energy_per_atom": -6.569770725853657,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1047.75639904,
            "band_gap": 0.0174,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 34.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.434000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1213443",
            "created_at": "2022-09-04T14:47:38.035915Z",
            "structure_string": "Nd8 N48 O108\n1.0\n13.415445 0.000000 0.000000\n0.000000 13.415445 0.000000\n-0.000000 -0.000000 13.415445\nNd N O\n8 48 108\ndirect\n0.047865 0.047865 0.047865 Nd\n0.452135 0.952135 0.547865 Nd\n0.952135 0.547865 0.452135 Nd\n0.797865 0.297865 0.202135 Nd\n0.547865 0.452135 0.952135 Nd\n0.702135 0.702135 0.702135 Nd\n0.297865 0.202135 0.797865 Nd\n0.202135 0.797865 0.297865 Nd\n0.093137 0.383038 0.386566 N\n0.406863 0.616962 0.886566 N\n0.906863 0.883038 0.113434 N\n0.386566 0.093137 0.383038 N\n0.133038 0.343137 0.863434 N\n0.593137 0.116962 0.613434 N\n0.886566 0.406863 0.616962 N\n0.366962 0.656863 0.363434 N\n0.113434 0.906863 0.883038 N\n0.633038 0.156863 0.136566 N\n0.613434 0.593137 0.116962 N\n0.866962 0.843137 0.636566 N\n0.383038 0.386566 0.093137 N\n0.843137 0.636566 0.866962 N\n0.883038 0.113434 0.906863 N\n0.656863 0.363434 0.366962 N\n0.116962 0.613434 0.593137 N\n0.343137 0.863434 0.133038 N\n0.616962 0.886566 0.406863 N\n0.156863 0.136566 0.633038 N\n0.863434 0.133038 0.343137 N\n0.363434 0.366962 0.656863 N\n0.636566 0.866962 0.843137 N\n0.136566 0.633038 0.156863 N\n0.125000 0.205374 0.455374 N\n0.375000 0.794626 0.955374 N\n0.875000 0.705374 0.044626 N\n0.455374 0.125000 0.205374 N\n0.955374 0.375000 0.794626 N\n0.625000 0.294626 0.544626 N\n0.544626 0.625000 0.294626 N\n0.044626 0.875000 0.705374 N\n0.205374 0.455374 0.125000 N\n0.705374 0.044626 0.875000 N\n0.294626 0.544626 0.625000 N\n0.794626 0.955374 0.375000 N\n0.125000 0.009408 0.259408 N\n0.375000 0.990592 0.759408 N\n0.875000 0.509408 0.240592 N\n0.259408 0.125000 0.009408 N\n0.759408 0.375000 0.990592 N\n0.625000 0.490592 0.740592 N\n0.740592 0.625000 0.490592 N\n0.240592 0.875000 0.509408 N\n0.009408 0.259408 0.125000 N\n0.509408 0.240592 0.875000 N\n0.490592 0.740592 0.625000 N\n0.990592 0.759408 0.375000 N\n0.125000 0.940358 0.190358 O\n0.375000 0.059642 0.690358 O\n0.875000 0.440358 0.309642 O\n0.190358 0.125000 0.940358 O\n0.690358 0.375000 0.059642 O\n0.625000 0.559642 0.809642 O\n0.809642 0.625000 0.559642 O\n0.309642 0.875000 0.440358 O\n0.940358 0.190358 0.125000 O\n0.440358 0.309642 0.875000 O\n0.559642 0.809642 0.625000 O\n0.059642 0.690358 0.375000 O\n0.029613 0.373502 0.455623 O\n0.470387 0.626498 0.955623 O\n0.970387 0.873502 0.044377 O\n0.455623 0.029613 0.373502 O\n0.123502 0.279613 0.794377 O\n0.529613 0.126498 0.544377 O\n0.955623 0.470387 0.626498 O\n0.376498 0.720387 0.294377 O\n0.044377 0.970387 0.873502 O\n0.623502 0.220387 0.205623 O\n0.544377 0.529613 0.126498 O\n0.876498 0.779613 0.705623 O\n0.373502 0.455623 0.029613 O\n0.779613 0.705623 0.876498 O\n0.873502 0.044377 0.970387 O\n0.720387 0.294377 0.376498 O\n0.126498 0.544377 0.529613 O\n0.279613 0.794377 0.123502 O\n0.626498 0.955623 0.470387 O\n0.220387 0.205623 0.623502 O\n0.794377 0.123502 0.279613 O\n0.294377 0.376498 0.720387 O\n0.705623 0.876498 0.779613 O\n0.205623 0.623502 0.220387 O\n0.097293 0.462641 0.337582 O\n0.402707 0.537359 0.837582 O\n0.902707 0.962641 0.162418 O\n0.337582 0.097293 0.462641 O\n0.212641 0.347293 0.912418 O\n0.597293 0.037359 0.662418 O\n0.837582 0.402707 0.537359 O\n0.287359 0.652707 0.412418 O\n0.162418 0.902707 0.962641 O\n0.712641 0.152707 0.087582 O\n0.662418 0.597293 0.037359 O\n0.787359 0.847293 0.587582 O\n0.462641 0.337582 0.097293 O\n0.847293 0.587582 0.787359 O\n0.962641 0.162418 0.902707 O\n0.652707 0.412418 0.287359 O\n0.037359 0.662418 0.597293 O\n0.347293 0.912418 0.212641 O\n0.537359 0.837582 0.402707 O\n0.152707 0.087582 0.712641 O\n0.912418 0.212641 0.347293 O\n0.412418 0.287359 0.652707 O\n0.587582 0.787359 0.847293 O\n0.087582 0.712641 0.152707 O\n0.153118 0.311191 0.365701 O\n0.346882 0.688809 0.865701 O\n0.846882 0.811191 0.134299 O\n0.365701 0.153118 0.311191 O\n0.061191 0.403118 0.884299 O\n0.653118 0.188809 0.634299 O\n0.865701 0.346882 0.688809 O\n0.438809 0.596882 0.384299 O\n0.134299 0.846882 0.811191 O\n0.561191 0.096882 0.115701 O\n0.634299 0.653118 0.188809 O\n0.938809 0.903118 0.615701 O\n0.311191 0.365701 0.153118 O\n0.903118 0.615701 0.938809 O\n0.811191 0.134299 0.846882 O\n0.596882 0.384299 0.438809 O\n0.188809 0.634299 0.653118 O\n0.403118 0.884299 0.061191 O\n0.688809 0.865701 0.346882 O\n0.096882 0.115701 0.561191 O\n0.884299 0.061191 0.403118 O\n0.384299 0.438809 0.596882 O\n0.615701 0.938809 0.903118 O\n0.115701 0.561191 0.096882 O\n0.085005 0.090839 0.239451 O\n0.414995 0.909161 0.739451 O\n0.914995 0.590839 0.260549 O\n0.239451 0.085005 0.090839 O\n0.840839 0.335005 0.010549 O\n0.585005 0.409161 0.760549 O\n0.739451 0.414995 0.909161 O\n0.659161 0.664995 0.510549 O\n0.260549 0.914995 0.590839 O\n0.340839 0.164995 0.989451 O\n0.760549 0.585005 0.409161 O\n0.159161 0.835005 0.489451 O\n0.090839 0.239451 0.085005 O\n0.835005 0.489451 0.159161 O\n0.590839 0.260549 0.914995 O\n0.664995 0.510549 0.659161 O\n0.409161 0.760549 0.585005 O\n0.335005 0.010549 0.840839 O\n0.909161 0.739451 0.414995 O\n0.164995 0.989451 0.340839 O\n0.010549 0.840839 0.335005 O\n0.510549 0.659161 0.664995 O\n0.489451 0.159161 0.835005 O\n0.989451 0.340839 0.164995 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Nd",
                "N",
                "O"
            ],
            "chemical_system": "N-Nd-O",
            "density": 2.444414385473768,
            "density_atomic": 0.06792483603223116,
            "volume": 2414.4335059149794,
            "volume_molar": 8.865889285536769,
            "formula_full": "Nd8 N48 O108",
            "formula_reduced": "Nd2(N4O9)3",
            "formula_anonymous": "A2B12C27",
            "energy": -1099.04260127,
            "energy_per_atom": -6.7014792760365856,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1024.84660127,
            "band_gap": 2.5043,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 23.9999998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:15.423000Z",
            "spacegroup": 213
        },
        {
            "id": "mp-850293",
            "created_at": "2022-09-04T14:41:23.645450Z",
            "structure_string": "Al8 H64 S12 O80\n1.0\n22.167699 0.000000 0.000000\n0.000000 7.400737 0.000000\n0.000000 0.245063 9.657422\nAl H S O\n8 64 12 80\ndirect\n0.851504 0.805915 0.951705 Al\n0.648496 0.805915 0.451705 Al\n0.396654 0.774977 0.997813 Al\n0.103346 0.774977 0.497813 Al\n0.896654 0.225023 0.502187 Al\n0.603346 0.225023 0.002187 Al\n0.351504 0.194085 0.548295 Al\n0.148496 0.194085 0.048295 Al\n0.261364 0.984708 0.607938 H\n0.044156 0.001819 0.646070 H\n0.238636 0.984708 0.107938 H\n0.455844 0.001819 0.146070 H\n0.421287 0.910513 0.540339 H\n0.139707 0.878317 0.951690 H\n0.078713 0.910513 0.040339 H\n0.360293 0.878317 0.451690 H\n0.738312 0.850347 0.996883 H\n0.761688 0.850347 0.496883 H\n0.997252 0.844012 0.599507 H\n0.502748 0.844012 0.099507 H\n0.614170 0.771164 0.699509 H\n0.966532 0.737254 0.990416 H\n0.885830 0.771164 0.199509 H\n0.533468 0.737254 0.490416 H\n0.306558 0.721081 0.830182 H\n0.193442 0.721081 0.330182 H\n0.675533 0.649377 0.695214 H\n0.824467 0.649377 0.195214 H\n0.944849 0.623393 0.858474 H\n0.555151 0.623393 0.358474 H\n0.777584 0.555636 0.861682 H\n0.325288 0.527833 0.907436 H\n0.722416 0.555636 0.361682 H\n0.174712 0.527833 0.407436 H\n0.930475 0.560769 0.517937 H\n0.043826 0.524027 0.625645 H\n0.569525 0.560769 0.017937 H\n0.456174 0.524027 0.125645 H\n0.820392 0.472135 0.981354 H\n0.320392 0.527865 0.518646 H\n0.679608 0.472135 0.481354 H\n0.179608 0.527865 0.018646 H\n0.543826 0.475973 0.874355 H\n0.430475 0.439231 0.982063 H\n0.956174 0.475973 0.374355 H\n0.069525 0.439231 0.482063 H\n0.825288 0.472167 0.592564 H\n0.277584 0.444364 0.638318 H\n0.674712 0.472167 0.092564 H\n0.222416 0.444364 0.138318 H\n0.444849 0.376607 0.641526 H\n0.055151 0.376607 0.141526 H\n0.175533 0.350623 0.804786 H\n0.324467 0.350623 0.304786 H\n0.806558 0.278919 0.669818 H\n0.693442 0.278919 0.169818 H\n0.466532 0.262746 0.509584 H\n0.114170 0.228836 0.800491 H\n0.033468 0.262746 0.009584 H\n0.385830 0.228836 0.300491 H\n0.497252 0.155988 0.900493 H\n0.002748 0.155988 0.400493 H\n0.238312 0.149653 0.503117 H\n0.261688 0.149653 0.003117 H\n0.639707 0.121683 0.548310 H\n0.921287 0.089487 0.959661 H\n0.860293 0.121683 0.048310 H\n0.578713 0.089487 0.459661 H\n0.544156 0.998181 0.853930 H\n0.761364 0.015292 0.892062 H\n0.955844 0.998181 0.353930 H\n0.738636 0.015292 0.392062 H\n0.864298 0.831771 0.619819 S\n0.635702 0.831771 0.119819 S\n0.489484 0.731232 0.737841 S\n0.010516 0.731232 0.237841 S\n0.197764 0.693004 0.751950 S\n0.302236 0.693004 0.251950 S\n0.697764 0.306996 0.748050 S\n0.802236 0.306996 0.248050 S\n0.989484 0.268768 0.762159 S\n0.510516 0.268768 0.262159 S\n0.364298 0.168229 0.880181 S\n0.135702 0.168229 0.380181 S\n0.359233 0.999722 0.967820 O\n0.140767 0.999722 0.467820 O\n0.113724 0.973224 0.993946 O\n0.386276 0.973224 0.493946 O\n0.773773 0.916391 0.958280 O\n0.726227 0.916391 0.458280 O\n0.853172 0.884540 0.764978 O\n0.040090 0.881802 0.599278 O\n0.646828 0.884540 0.264978 O\n0.459910 0.881802 0.099278 O\n0.440046 0.806668 0.824607 O\n0.252262 0.806115 0.725041 O\n0.548376 0.804716 0.786820 O\n0.059954 0.806668 0.324607 O\n0.247738 0.806115 0.225041 O\n0.478534 0.792551 0.591945 O\n0.951624 0.804716 0.286820 O\n0.021466 0.792551 0.091945 O\n0.146455 0.764164 0.668110 O\n0.924905 0.749158 0.607158 O\n0.353545 0.764164 0.168110 O\n0.651334 0.746388 0.644743 O\n0.575095 0.749158 0.107158 O\n0.848666 0.746388 0.144743 O\n0.930545 0.701697 0.933337 O\n0.179320 0.699744 0.900159 O\n0.816813 0.707450 0.572517 O\n0.569455 0.701697 0.433337 O\n0.320680 0.699744 0.400159 O\n0.683187 0.707450 0.072517 O\n0.334028 0.659371 0.899438 O\n0.165972 0.659371 0.399438 O\n0.816708 0.574304 0.911660 O\n0.683292 0.574304 0.411660 O\n0.067602 0.549703 0.539407 O\n0.491439 0.531052 0.748258 O\n0.432398 0.549703 0.039407 O\n0.008561 0.531052 0.248258 O\n0.211830 0.501623 0.717500 O\n0.711830 0.498377 0.782500 O\n0.288170 0.501623 0.217500 O\n0.788170 0.498377 0.282500 O\n0.991439 0.468948 0.751742 O\n0.567602 0.450297 0.960593 O\n0.508561 0.468948 0.251742 O\n0.932398 0.450297 0.460593 O\n0.316708 0.425696 0.588340 O\n0.183292 0.425696 0.088340 O\n0.834028 0.340629 0.600562 O\n0.665972 0.340629 0.100562 O\n0.316813 0.292550 0.927483 O\n0.679320 0.300256 0.599841 O\n0.430545 0.298303 0.566663 O\n0.183187 0.292550 0.427483 O\n0.820680 0.300256 0.099841 O\n0.069455 0.298303 0.066663 O\n0.151334 0.253612 0.855257 O\n0.424905 0.250842 0.892842 O\n0.348666 0.253612 0.355257 O\n0.646455 0.235836 0.831890 O\n0.075095 0.250842 0.392842 O\n0.853545 0.235836 0.331890 O\n0.978534 0.207449 0.908055 O\n0.048376 0.195284 0.713180 O\n0.521466 0.207449 0.408055 O\n0.752261 0.193885 0.774959 O\n0.940046 0.193332 0.675393 O\n0.451624 0.195284 0.213180 O\n0.747738 0.193885 0.274959 O\n0.559954 0.193332 0.175393 O\n0.540090 0.118198 0.900722 O\n0.353172 0.115460 0.735022 O\n0.959910 0.118198 0.400722 O\n0.146828 0.115460 0.235022 O\n0.273773 0.083609 0.541720 O\n0.226227 0.083609 0.041720 O\n0.613724 0.026776 0.506054 O\n0.886276 0.026776 0.006054 O\n0.859233 0.000278 0.532180 O\n0.640767 0.000278 0.032180 O\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "Al",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Al-H-O-S",
            "density": 2.0386025063643602,
            "density_atomic": 0.10351113057614031,
            "volume": 1584.370676729934,
            "volume_molar": 5.817867823953732,
            "formula_full": "Al8 H64 S12 O80",
            "formula_reduced": "Al2H16S3O20",
            "formula_anonymous": "A2B3C16D20",
            "energy": -976.96899415,
            "energy_per_atom": -5.957128013109756,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -922.00899415,
            "band_gap": 5.397799999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:13.169000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1201285",
            "created_at": "2022-09-04T14:41:45.147103Z",
            "structure_string": "Cd4 H64 C16 S16 N40 O24\n1.0\n9.368804 0.000000 0.000000\n0.000000 13.102730 0.000000\n0.000000 0.572547 16.151892\nCd H C S N O\n4 64 16 16 40 24\ndirect\n0.538013 0.745708 0.546832 Cd\n0.038013 0.254292 0.953168 Cd\n0.461987 0.254292 0.453168 Cd\n0.961987 0.745708 0.046832 Cd\n0.166546 0.718923 0.723356 H\n0.666546 0.281077 0.776644 H\n0.833454 0.281077 0.276644 H\n0.333454 0.718923 0.223356 H\n0.330410 0.782426 0.732775 H\n0.830410 0.217574 0.767225 H\n0.669590 0.217574 0.267225 H\n0.169590 0.782426 0.232775 H\n0.155300 0.550335 0.687215 H\n0.655300 0.449665 0.812785 H\n0.844700 0.449665 0.312785 H\n0.344700 0.550335 0.187215 H\n0.314807 0.488164 0.659898 H\n0.814807 0.511836 0.840102 H\n0.685193 0.511836 0.340102 H\n0.185193 0.488164 0.159898 H\n0.479669 0.884103 0.288024 H\n0.979669 0.115897 0.211976 H\n0.520331 0.115897 0.711976 H\n0.020331 0.884103 0.788024 H\n0.420142 0.811914 0.376825 H\n0.920142 0.188086 0.123175 H\n0.579858 0.188086 0.623175 H\n0.079858 0.811914 0.876825 H\n0.699556 0.849626 0.229790 H\n0.199556 0.150374 0.270210 H\n0.300444 0.150374 0.770210 H\n0.800444 0.849626 0.729790 H\n0.817646 0.767517 0.282301 H\n0.317646 0.232483 0.217699 H\n0.182354 0.232483 0.717699 H\n0.682354 0.767517 0.782301 H\n0.804956 0.996503 0.387384 H\n0.304956 0.003497 0.112616 H\n0.195044 0.003497 0.612616 H\n0.695044 0.996503 0.887384 H\n0.631264 0.009797 0.427260 H\n0.131264 0.990203 0.072740 H\n0.368736 0.990203 0.572740 H\n0.868736 0.009797 0.927260 H\n0.965666 0.893702 0.461086 H\n0.465666 0.106298 0.038914 H\n0.034334 0.106298 0.538914 H\n0.534334 0.893702 0.961086 H\n0.923772 0.848015 0.562598 H\n0.423772 0.151985 0.937402 H\n0.076228 0.151985 0.437402 H\n0.576228 0.848015 0.062598 H\n0.057252 0.564934 0.411797 H\n0.557252 0.435066 0.088203 H\n0.942748 0.435066 0.588203 H\n0.442748 0.564934 0.911797 H\n0.012681 0.677475 0.461539 H\n0.512681 0.322525 0.038461 H\n0.987319 0.322525 0.538461 H\n0.487319 0.677475 0.961539 H\n0.288508 0.510467 0.409190 H\n0.788508 0.489533 0.090810 H\n0.711492 0.489533 0.590810 H\n0.211492 0.510467 0.909190 H\n0.427133 0.598323 0.426665 H\n0.927133 0.401677 0.073335 H\n0.572867 0.401677 0.573335 H\n0.072867 0.598323 0.926665 H\n0.341059 0.634243 0.695537 C\n0.841059 0.365757 0.804463 C\n0.658941 0.365757 0.304463 C\n0.158941 0.634243 0.195537 C\n0.621389 0.778907 0.336408 C\n0.121389 0.221093 0.163592 C\n0.378611 0.221093 0.663592 C\n0.878611 0.778907 0.836408 C\n0.768292 0.931705 0.503818 C\n0.268292 0.068295 0.996182 C\n0.231708 0.068295 0.496182 C\n0.731708 0.931705 0.003818 C\n0.226296 0.648623 0.453526 C\n0.726296 0.351377 0.046474 C\n0.773704 0.351377 0.546474 C\n0.273704 0.648623 0.953526 C\n0.524967 0.633341 0.678912 S\n0.024967 0.366659 0.821088 S\n0.475033 0.366659 0.321088 S\n0.975033 0.633341 0.178912 S\n0.664974 0.687092 0.412543 S\n0.164974 0.312908 0.087457 S\n0.335026 0.312908 0.587457 S\n0.835026 0.687092 0.912543 S\n0.645102 0.918413 0.584542 S\n0.145102 0.081587 0.915458 S\n0.354898 0.081587 0.415458 S\n0.854898 0.918413 0.084542 S\n0.272865 0.764705 0.493053 S\n0.772865 0.235295 0.006947 S\n0.727135 0.235295 0.506947 S\n0.227135 0.764705 0.993053 S\n0.275648 0.715915 0.724085 N\n0.775648 0.284085 0.775915 N\n0.724352 0.284085 0.275915 N\n0.224352 0.715915 0.224085 N\n0.265044 0.551093 0.680971 N\n0.765044 0.448907 0.819029 N\n0.734956 0.448907 0.319029 N\n0.234956 0.551093 0.180971 N\n0.495492 0.825796 0.331872 N\n0.995492 0.174204 0.168128 N\n0.504508 0.174204 0.668128 N\n0.004508 0.825796 0.831872 N\n0.720445 0.801901 0.279467 N\n0.220445 0.198099 0.220533 N\n0.279555 0.198099 0.720533 N\n0.779555 0.801901 0.779467 N\n0.733169 0.984518 0.434730 N\n0.233169 0.015482 0.065270 N\n0.266831 0.015482 0.565270 N\n0.766831 0.984518 0.934730 N\n0.898668 0.892733 0.511553 N\n0.398668 0.107267 0.988447 N\n0.101332 0.107267 0.488447 N\n0.601332 0.892733 0.011553 N\n0.087615 0.625779 0.445928 N\n0.587615 0.374221 0.054072 N\n0.912385 0.374221 0.554072 N\n0.412385 0.625779 0.945928 N\n0.321427 0.579832 0.429573 N\n0.821427 0.420168 0.070427 N\n0.678573 0.420168 0.570427 N\n0.178573 0.579832 0.929573 N\n0.917497 0.637086 0.630756 N\n0.417497 0.362914 0.869244 N\n0.082503 0.362914 0.369244 N\n0.582503 0.637086 0.130756 N\n0.459796 0.940872 0.794034 N\n0.959796 0.059128 0.705966 N\n0.540204 0.059128 0.205966 N\n0.040204 0.940872 0.294034 N\n0.811242 0.632389 0.582541 O\n0.311242 0.367611 0.917459 O\n0.188758 0.367611 0.417459 O\n0.688758 0.632389 0.082541 O\n0.977578 0.721357 0.643766 O\n0.477578 0.278643 0.856234 O\n0.022422 0.278643 0.356234 O\n0.522422 0.721357 0.143766 O\n0.964135 0.554647 0.665972 O\n0.464135 0.445353 0.834028 O\n0.035865 0.445353 0.334028 O\n0.535865 0.554647 0.165972 O\n0.523585 0.025656 0.805669 O\n0.023585 0.974344 0.694331 O\n0.476415 0.974344 0.194331 O\n0.976415 0.025656 0.305669 O\n0.386252 0.929970 0.729255 O\n0.886252 0.070030 0.770745 O\n0.613748 0.070030 0.270745 O\n0.113748 0.929970 0.229255 O\n0.471212 0.868266 0.847289 O\n0.971212 0.131734 0.652711 O\n0.528788 0.131734 0.152711 O\n0.028788 0.868266 0.347289 O\n",
            "nsites": 164,
            "nelements": 6,
            "elements": [
                "Cd",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-Cd-H-N-O-S",
            "density": 1.8120080689523945,
            "density_atomic": 0.0827131386109273,
            "volume": 1982.7563402162305,
            "volume_molar": 7.280754739978407,
            "formula_full": "Cd4 H64 C16 S16 N40 O24",
            "formula_reduced": "CdH16C4S4(N5O3)2",
            "formula_anonymous": "AB4C4D6E10F16",
            "energy": -979.02428813,
            "energy_per_atom": -5.969660293475609,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -940.04828813,
            "band_gap": 3.1371,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005959,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:43.031000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1211204",
            "created_at": "2022-09-04T14:41:49.981307Z",
            "structure_string": "Pr8 N48 O108\n1.0\n13.760160 -0.000000 0.000000\n0.000000 13.760160 0.000000\n-0.000000 0.000000 13.760160\nPr N O\n8 48 108\ndirect\n0.060815 0.060815 0.060815 Pr\n0.439185 0.939185 0.560815 Pr\n0.939185 0.560815 0.439185 Pr\n0.810815 0.310815 0.189185 Pr\n0.560815 0.439185 0.939185 Pr\n0.689185 0.689185 0.689185 Pr\n0.310815 0.189185 0.810815 Pr\n0.189185 0.810815 0.310815 Pr\n0.097674 0.422888 0.359638 N\n0.402326 0.577112 0.859638 N\n0.902326 0.922888 0.140362 N\n0.359638 0.097674 0.422888 N\n0.172888 0.347674 0.890362 N\n0.597674 0.077112 0.640362 N\n0.859638 0.402326 0.577112 N\n0.327112 0.652326 0.390362 N\n0.140362 0.902326 0.922888 N\n0.672888 0.152326 0.109638 N\n0.640362 0.597674 0.077112 N\n0.827112 0.847674 0.609638 N\n0.422888 0.359638 0.097674 N\n0.847674 0.609638 0.827112 N\n0.922888 0.140362 0.902326 N\n0.652326 0.390362 0.327112 N\n0.077112 0.640362 0.597674 N\n0.347674 0.890362 0.172888 N\n0.577112 0.859638 0.402326 N\n0.152326 0.109638 0.672888 N\n0.890362 0.172888 0.347674 N\n0.390362 0.327112 0.652326 N\n0.609638 0.827112 0.847674 N\n0.109638 0.672888 0.152326 N\n0.125000 0.198777 0.448777 N\n0.375000 0.801223 0.948777 N\n0.875000 0.698777 0.051223 N\n0.448777 0.125000 0.198777 N\n0.948777 0.375000 0.801223 N\n0.625000 0.301223 0.551223 N\n0.551223 0.625000 0.301223 N\n0.051223 0.875000 0.698777 N\n0.198777 0.448777 0.125000 N\n0.698777 0.051223 0.875000 N\n0.301223 0.551223 0.625000 N\n0.801223 0.948777 0.375000 N\n0.125000 0.021037 0.271037 N\n0.375000 0.978963 0.771037 N\n0.875000 0.521037 0.228963 N\n0.271037 0.125000 0.021037 N\n0.771037 0.375000 0.978963 N\n0.625000 0.478963 0.728963 N\n0.728963 0.625000 0.478963 N\n0.228963 0.875000 0.521037 N\n0.021037 0.271037 0.125000 N\n0.521037 0.228963 0.875000 N\n0.478963 0.728963 0.625000 N\n0.978963 0.771037 0.375000 N\n0.125000 0.953761 0.203761 O\n0.375000 0.046239 0.703761 O\n0.875000 0.453761 0.296239 O\n0.203761 0.125000 0.953761 O\n0.703761 0.375000 0.046239 O\n0.625000 0.546239 0.796239 O\n0.796239 0.625000 0.546239 O\n0.296239 0.875000 0.453761 O\n0.953761 0.203761 0.125000 O\n0.453761 0.296239 0.875000 O\n0.546239 0.796239 0.625000 O\n0.046239 0.703761 0.375000 O\n0.095974 0.103748 0.248093 O\n0.404026 0.896252 0.748093 O\n0.904026 0.603748 0.251907 O\n0.248093 0.095974 0.103748 O\n0.853748 0.345974 0.001907 O\n0.595974 0.396252 0.751907 O\n0.748093 0.404026 0.896252 O\n0.646252 0.654026 0.501907 O\n0.251907 0.904026 0.603748 O\n0.353748 0.154026 0.998093 O\n0.751907 0.595974 0.396252 O\n0.146252 0.845974 0.498093 O\n0.103748 0.248093 0.095974 O\n0.845974 0.498093 0.146252 O\n0.603748 0.251907 0.904026 O\n0.654026 0.501907 0.646252 O\n0.396252 0.751907 0.595974 O\n0.345974 0.001907 0.853748 O\n0.896252 0.748093 0.404026 O\n0.154026 0.998093 0.353748 O\n0.001907 0.853748 0.345974 O\n0.501907 0.646252 0.654026 O\n0.498093 0.146252 0.845974 O\n0.998093 0.353748 0.154026 O\n0.048865 0.399531 0.434324 O\n0.451135 0.600469 0.934324 O\n0.951135 0.899531 0.065676 O\n0.434324 0.048865 0.399531 O\n0.149531 0.298865 0.815676 O\n0.548865 0.100469 0.565676 O\n0.934324 0.451135 0.600469 O\n0.350469 0.701135 0.315676 O\n0.065676 0.951135 0.899531 O\n0.649531 0.201135 0.184324 O\n0.565676 0.548865 0.100469 O\n0.850469 0.798865 0.684324 O\n0.399531 0.434324 0.048865 O\n0.798865 0.684324 0.850469 O\n0.899531 0.065676 0.951135 O\n0.701135 0.315676 0.350469 O\n0.100469 0.565676 0.548865 O\n0.298865 0.815676 0.149531 O\n0.600469 0.934324 0.451135 O\n0.201135 0.184324 0.649531 O\n0.815676 0.149531 0.298865 O\n0.315676 0.350469 0.701135 O\n0.684324 0.850469 0.798865 O\n0.184324 0.649531 0.201135 O\n0.159685 0.367300 0.324647 O\n0.340315 0.632700 0.824647 O\n0.840315 0.867300 0.175353 O\n0.324647 0.159685 0.367300 O\n0.117300 0.409685 0.925353 O\n0.659685 0.132700 0.675353 O\n0.824647 0.340315 0.632700 O\n0.382700 0.590315 0.425353 O\n0.175353 0.840315 0.867300 O\n0.617300 0.090315 0.074647 O\n0.675353 0.659685 0.132700 O\n0.882700 0.909685 0.574647 O\n0.367300 0.324647 0.159685 O\n0.909685 0.574647 0.882700 O\n0.867300 0.175353 0.840315 O\n0.590315 0.425353 0.382700 O\n0.132700 0.675353 0.659685 O\n0.409685 0.925353 0.117300 O\n0.632700 0.824647 0.340315 O\n0.090315 0.074647 0.617300 O\n0.925353 0.117300 0.409685 O\n0.425353 0.382700 0.590315 O\n0.574647 0.882700 0.909685 O\n0.074647 0.617300 0.090315 O\n0.081111 0.505638 0.321608 O\n0.418889 0.494362 0.821608 O\n0.918889 0.005638 0.178392 O\n0.321608 0.081111 0.505638 O\n0.255638 0.331111 0.928392 O\n0.581111 0.994362 0.678392 O\n0.821608 0.418889 0.494362 O\n0.244362 0.668889 0.428392 O\n0.178392 0.918889 0.005638 O\n0.755638 0.168889 0.071608 O\n0.678392 0.581111 0.994362 O\n0.744362 0.831111 0.571608 O\n0.505638 0.321608 0.081111 O\n0.831111 0.571608 0.744362 O\n0.005638 0.178392 0.918889 O\n0.668889 0.428392 0.244362 O\n0.994362 0.678392 0.581111 O\n0.331111 0.928392 0.255638 O\n0.494362 0.821608 0.418889 O\n0.168889 0.071608 0.755638 O\n0.928392 0.255638 0.331111 O\n0.428392 0.244362 0.668889 O\n0.571608 0.744362 0.831111 O\n0.071608 0.755638 0.168889 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Pr",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Pr",
            "density": 2.24826699278645,
            "density_atomic": 0.06294676226778534,
            "volume": 2605.3762591047725,
            "volume_molar": 9.567038149445835,
            "formula_full": "Pr8 N48 O108",
            "formula_reduced": "Pr2(N4O9)3",
            "formula_anonymous": "A2B12C27",
            "energy": -1085.79161511,
            "energy_per_atom": -6.620680579939025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1011.59561511,
            "band_gap": 0.0431999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 24.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:36.195000Z",
            "spacegroup": 213
        },
        {
            "id": "mp-685503",
            "created_at": "2022-09-04T14:41:14.880707Z",
            "structure_string": "K4 Zr48 I112\n1.0\n11.334844 0.209244 0.000000\n-0.993385 11.293169 0.000000\n0.000000 0.000000 53.287512\nK Zr I\n4 48 112\ndirect\n0.994277 0.994277 0.648627 K\n0.062499 0.062499 0.876254 K\n0.562499 0.562499 0.498746 K\n0.494277 0.494277 0.726373 K\n0.052034 0.822661 0.095745 Zr\n0.053914 0.820129 0.344574 Zr\n0.047302 0.830676 0.599838 Zr\n0.013039 0.803205 0.846322 Zr\n0.181026 0.949586 0.154844 Zr\n0.166022 0.959964 0.399585 Zr\n0.218126 0.947566 0.652527 Zr\n0.215720 0.913523 0.913043 Zr\n0.102881 0.102881 0.106912 Zr\n0.112204 0.112204 0.352171 Zr\n0.124389 0.124389 0.601875 Zr\n0.192739 0.192739 0.836706 Zr\n0.320129 0.553914 0.030426 Zr\n0.303205 0.513039 0.528678 Zr\n0.322661 0.552034 0.279255 Zr\n0.330676 0.547302 0.775162 Zr\n0.399501 0.399501 0.231192 Zr\n0.320940 0.320940 0.724187 Zr\n0.354449 0.354449 0.479557 Zr\n0.392777 0.392777 0.981094 Zr\n0.449586 0.681026 0.220156 Zr\n0.447566 0.718126 0.722473 Zr\n0.413523 0.715720 0.461957 Zr\n0.459964 0.666022 0.975415 Zr\n0.553914 0.320129 0.030426 Zr\n0.552034 0.322661 0.279255 Zr\n0.513039 0.303205 0.528678 Zr\n0.547302 0.330676 0.775162 Zr\n0.612204 0.612204 0.022829 Zr\n0.602881 0.602881 0.268088 Zr\n0.692739 0.692739 0.538294 Zr\n0.624389 0.624389 0.773125 Zr\n0.718126 0.447566 0.722473 Zr\n0.681026 0.449586 0.220156 Zr\n0.715720 0.413523 0.461957 Zr\n0.666022 0.459964 0.975415 Zr\n0.899501 0.899501 0.143808 Zr\n0.820940 0.820940 0.650813 Zr\n0.854449 0.854449 0.895443 Zr\n0.892777 0.892777 0.393906 Zr\n0.822661 0.052034 0.095745 Zr\n0.820129 0.053914 0.344574 Zr\n0.803205 0.013039 0.846322 Zr\n0.830676 0.047302 0.599838 Zr\n0.949586 0.181026 0.154844 Zr\n0.947566 0.218126 0.652527 Zr\n0.959964 0.166022 0.399585 Zr\n0.913523 0.215720 0.913043 Zr\n0.029404 0.794276 0.184967 I\n0.034971 0.798817 0.433963 I\n0.038352 0.788201 0.684800 I\n0.023350 0.787115 0.936736 I\n0.107223 0.611463 0.062420 I\n0.111463 0.607223 0.312580 I\n0.103390 0.603451 0.561927 I\n0.103451 0.603390 0.813073 I\n0.107188 0.343973 0.127567 I\n0.109188 0.346836 0.374239 I\n0.118008 0.362599 0.625062 I\n0.099634 0.348065 0.876806 I\n0.155855 0.395311 0.002841 I\n0.158937 0.395473 0.251960 I\n0.124917 0.375355 0.501283 I\n0.132168 0.387493 0.755279 I\n0.208679 0.973463 0.065738 I\n0.206117 0.966815 0.312629 I\n0.202504 0.960564 0.564249 I\n0.192687 0.956774 0.815475 I\n0.143938 0.143938 0.190603 I\n0.149787 0.149787 0.438165 I\n0.153539 0.153539 0.689681 I\n0.134521 0.134521 0.936949 I\n0.253378 0.753663 0.000823 I\n0.248203 0.752717 0.249823 I\n0.243538 0.757424 0.751137 I\n0.248005 0.736927 0.501019 I\n0.252717 0.748203 0.125177 I\n0.253663 0.753378 0.374177 I\n0.257424 0.743538 0.623863 I\n0.236927 0.748005 0.873981 I\n0.294276 0.529404 0.190033 I\n0.287115 0.523350 0.438264 I\n0.288201 0.538352 0.690200 I\n0.298817 0.534971 0.941037 I\n0.356437 0.356437 0.065295 I\n0.358241 0.358241 0.315130 I\n0.329085 0.329085 0.565834 I\n0.362056 0.362056 0.815376 I\n0.391718 0.891718 0.187500 I\n0.417587 0.917587 0.687500 I\n0.391259 0.918214 0.434036 I\n0.418214 0.891259 0.940964 I\n0.343973 0.107188 0.127567 I\n0.346836 0.109188 0.374239 I\n0.362599 0.118008 0.625062 I\n0.348065 0.099634 0.876806 I\n0.395311 0.155855 0.002841 I\n0.395473 0.158937 0.251960 I\n0.375355 0.124917 0.501283 I\n0.387493 0.132168 0.755279 I\n0.466815 0.706117 0.062370 I\n0.473463 0.708679 0.309262 I\n0.456774 0.692687 0.559525 I\n0.460564 0.702504 0.810751 I\n0.529404 0.294276 0.190033 I\n0.523350 0.287115 0.438264 I\n0.538352 0.288201 0.690200 I\n0.534971 0.298817 0.941037 I\n0.607188 0.843973 0.247433 I\n0.599634 0.848065 0.498193 I\n0.618008 0.862599 0.749938 I\n0.609188 0.846836 0.000762 I\n0.658937 0.895473 0.123040 I\n0.655855 0.895311 0.372158 I\n0.632168 0.887493 0.619721 I\n0.624917 0.875355 0.873717 I\n0.611463 0.107223 0.062420 I\n0.607223 0.111463 0.312580 I\n0.603390 0.103451 0.813073 I\n0.603451 0.103390 0.561927 I\n0.634521 0.634521 0.438051 I\n0.653539 0.653539 0.685319 I\n0.643938 0.643938 0.184397 I\n0.649787 0.649787 0.936835 I\n0.706117 0.466815 0.062370 I\n0.708679 0.473463 0.309262 I\n0.702504 0.460564 0.810751 I\n0.692687 0.456774 0.559525 I\n0.748203 0.252717 0.125177 I\n0.753378 0.253663 0.374177 I\n0.743538 0.257424 0.623863 I\n0.748005 0.236927 0.873981 I\n0.753663 0.253378 0.000823 I\n0.752717 0.248203 0.249823 I\n0.736927 0.248005 0.501019 I\n0.757424 0.243538 0.751137 I\n0.858241 0.858241 0.059870 I\n0.856437 0.856437 0.309705 I\n0.862056 0.862056 0.559624 I\n0.829085 0.829085 0.809166 I\n0.794276 0.029404 0.184967 I\n0.798817 0.034971 0.433963 I\n0.788201 0.038352 0.684800 I\n0.787115 0.023350 0.936736 I\n0.843973 0.607188 0.247433 I\n0.862599 0.618008 0.749938 I\n0.846836 0.609188 0.000762 I\n0.848065 0.599634 0.498193 I\n0.895473 0.658937 0.123040 I\n0.895311 0.655855 0.372158 I\n0.887493 0.632168 0.619721 I\n0.875355 0.624917 0.873717 I\n0.891718 0.391718 0.187500 I\n0.918214 0.391259 0.434036 I\n0.917587 0.417587 0.687500 I\n0.891259 0.418214 0.940964 I\n0.973463 0.208679 0.065738 I\n0.966815 0.206117 0.312629 I\n0.960564 0.202504 0.564249 I\n0.956774 0.192687 0.815475 I\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "K",
                "Zr",
                "I"
            ],
            "chemical_system": "I-K-Zr",
            "density": 4.556725902525909,
            "density_atomic": 0.024003931768426922,
            "volume": 6832.214054853881,
            "volume_molar": 25.088143134622218,
            "formula_full": "K4 Zr48 I112",
            "formula_reduced": "K(Zr3I7)4",
            "formula_anonymous": "AB12C28",
            "energy": -744.72735347,
            "energy_per_atom": -4.541020447987805,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -702.27935347,
            "band_gap": 0.0914999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.4858013,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:18.093000Z",
            "spacegroup": 39
        },
        {
            "id": "mp-699393",
            "created_at": "2022-09-04T14:42:11.966217Z",
            "structure_string": "Yb2 Si12 H108 C36 N6\n1.0\n8.287075 -14.353635 0.000000\n8.287075 14.353635 0.000000\n0.000000 0.000000 9.691731\nYb Si H C N\n2 12 108 36 6\ndirect\n0.333333 0.666667 0.185453 Yb\n0.666667 0.333333 0.685453 Yb\n0.173949 0.713517 0.378739 Si\n0.284727 0.827264 0.123390 Si\n0.172736 0.457463 0.123390 Si\n0.286483 0.460432 0.378739 Si\n0.539568 0.826051 0.378739 Si\n0.542537 0.715273 0.123390 Si\n0.460432 0.286483 0.878739 Si\n0.457463 0.172736 0.623390 Si\n0.715273 0.542537 0.623390 Si\n0.826051 0.539568 0.878739 Si\n0.713517 0.173949 0.878739 Si\n0.827264 0.284727 0.623390 Si\n0.999404 0.617730 0.385197 H\n0.036418 0.693210 0.240091 H\n0.119822 0.786368 0.550209 H\n0.128984 0.815973 0.076483 H\n0.043075 0.589210 0.237159 H\n0.184482 0.870406 0.421721 H\n0.213177 0.880942 0.948050 H\n0.155379 0.757013 0.946804 H\n0.998078 0.381096 0.115305 H\n0.243621 0.844752 0.552214 H\n0.043047 0.453851 0.262856 H\n0.132676 0.627563 0.594190 H\n0.307586 0.965094 0.260447 H\n0.034906 0.342492 0.260447 H\n0.164235 0.598281 0.024936 H\n0.164020 0.565988 0.475866 H\n0.134606 0.505725 0.909038 H\n0.383018 0.001922 0.115305 H\n0.251924 0.667535 0.560946 H\n0.410804 0.956953 0.262856 H\n0.371119 0.865394 0.909038 H\n0.252293 0.584652 0.937359 H\n0.119058 0.332235 0.948050 H\n0.332359 0.747707 0.937359 H\n0.155248 0.398869 0.552214 H\n0.129594 0.314076 0.421721 H\n0.401969 0.835980 0.475866 H\n0.434046 0.835765 0.024936 H\n0.184027 0.313012 0.076483 H\n0.242987 0.398367 0.946804 H\n0.415611 0.748076 0.560946 H\n0.213632 0.333454 0.550209 H\n0.332465 0.584389 0.560946 H\n0.494887 0.867324 0.594190 H\n0.546135 0.956925 0.237159 H\n0.415348 0.667641 0.937359 H\n0.618325 0.000596 0.385197 H\n0.372437 0.505113 0.594190 H\n0.401719 0.565954 0.024936 H\n0.434012 0.598031 0.475866 H\n0.306790 0.343208 0.240091 H\n0.656792 0.963582 0.240091 H\n0.494275 0.628881 0.909038 H\n0.410790 0.453865 0.237159 H\n0.601633 0.844621 0.946804 H\n0.382270 0.381675 0.385197 H\n0.381675 0.382270 0.885197 H\n0.343208 0.306790 0.740091 H\n0.601131 0.756379 0.552214 H\n0.333454 0.213632 0.050209 H\n0.666546 0.880178 0.550209 H\n0.313012 0.184027 0.576483 H\n0.453865 0.410790 0.737159 H\n0.686988 0.871016 0.076483 H\n0.314076 0.129594 0.921721 H\n0.546149 0.589196 0.262856 H\n0.685924 0.815518 0.421721 H\n0.332235 0.119058 0.448050 H\n0.667765 0.786823 0.948050 H\n0.398367 0.242987 0.446804 H\n0.657508 0.692414 0.260447 H\n0.618904 0.616982 0.115305 H\n0.616982 0.618904 0.615305 H\n0.398869 0.155248 0.052214 H\n0.589196 0.546149 0.762856 H\n0.505113 0.372437 0.094190 H\n0.342492 0.034906 0.760447 H\n0.692414 0.657508 0.760447 H\n0.565954 0.401719 0.524936 H\n0.598031 0.434012 0.975866 H\n0.628881 0.494275 0.409038 H\n0.381096 0.998078 0.615305 H\n0.584389 0.332465 0.060946 H\n0.453851 0.043047 0.762856 H\n0.505725 0.134606 0.409038 H\n0.667641 0.415348 0.437359 H\n0.786823 0.667765 0.448050 H\n0.584652 0.252293 0.437359 H\n0.756379 0.601131 0.052214 H\n0.815518 0.685924 0.921721 H\n0.565988 0.164020 0.975866 H\n0.598281 0.164235 0.524936 H\n0.871016 0.686988 0.576483 H\n0.844621 0.601633 0.446804 H\n0.667535 0.251924 0.060946 H\n0.880178 0.666546 0.050209 H\n0.748076 0.415611 0.060946 H\n0.627563 0.132676 0.094190 H\n0.589210 0.043075 0.737159 H\n0.747707 0.332359 0.437359 H\n0.617730 0.999404 0.885197 H\n0.867324 0.494887 0.094190 H\n0.835765 0.434046 0.524936 H\n0.835980 0.401969 0.975866 H\n0.963582 0.656792 0.740091 H\n0.693210 0.036418 0.740091 H\n0.865394 0.371119 0.409038 H\n0.956925 0.546135 0.737159 H\n0.757013 0.155379 0.446804 H\n0.000596 0.618325 0.885197 H\n0.844752 0.243621 0.052214 H\n0.786368 0.119822 0.050209 H\n0.815973 0.128984 0.576483 H\n0.956953 0.410804 0.762856 H\n0.870406 0.184482 0.921721 H\n0.880942 0.213177 0.448050 H\n0.965094 0.307586 0.760447 H\n0.001922 0.383018 0.615305 H\n0.051926 0.647255 0.302793 C\n0.182231 0.814125 0.484068 C\n0.185632 0.818682 0.014411 C\n0.050848 0.403957 0.197263 C\n0.182437 0.635751 0.513149 C\n0.353109 0.949152 0.197263 C\n0.184139 0.547326 0.990227 C\n0.363186 0.815861 0.990227 C\n0.181318 0.366950 0.014411 C\n0.185875 0.368106 0.484068 C\n0.453314 0.817563 0.513149 C\n0.364249 0.546686 0.513149 C\n0.595328 0.948074 0.302793 C\n0.452674 0.636814 0.990227 C\n0.352745 0.404672 0.302793 C\n0.631894 0.817769 0.484068 C\n0.404672 0.352745 0.802793 C\n0.633050 0.814368 0.014411 C\n0.368106 0.185875 0.984068 C\n0.596043 0.646891 0.197263 C\n0.366950 0.181318 0.514411 C\n0.646891 0.596043 0.697263 C\n0.546686 0.364249 0.013149 C\n0.403957 0.050848 0.697263 C\n0.636814 0.452674 0.490227 C\n0.547326 0.184139 0.490227 C\n0.814368 0.633050 0.514411 C\n0.817769 0.631894 0.984068 C\n0.635751 0.182437 0.013149 C\n0.817563 0.453314 0.013149 C\n0.647255 0.051926 0.802793 C\n0.815861 0.363186 0.490227 C\n0.948074 0.595328 0.802793 C\n0.814125 0.182231 0.984068 C\n0.818682 0.185632 0.514411 C\n0.949152 0.353109 0.697263 C\n0.254552 0.743159 0.248207 N\n0.256841 0.511393 0.248207 N\n0.488607 0.745448 0.248207 N\n0.511393 0.256841 0.748207 N\n0.745448 0.488607 0.748207 N\n0.743159 0.254552 0.748207 N\n",
            "nsites": 164,
            "nelements": 5,
            "elements": [
                "Yb",
                "Si",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "C-H-N-Si-Yb",
            "density": 0.9423048801366097,
            "density_atomic": 0.07112943077754723,
            "volume": 2305.6560161840684,
            "volume_molar": 8.466454313171523,
            "formula_full": "Yb2 Si12 H108 C36 N6",
            "formula_reduced": "YbSi6H54(C6N)3",
            "formula_anonymous": "AB3C6D18E54",
            "energy": -860.28193304,
            "energy_per_atom": -5.24562154292683,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -858.1159330399998,
            "band_gap": 3.935,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.9948139,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:44.064000Z",
            "spacegroup": 159
        },
        {
            "id": "mp-761853",
            "created_at": "2022-09-04T14:42:53.266677Z",
            "structure_string": "Na12 P4 H88 S12 O48\n1.0\n9.534222 0.000000 0.000000\n0.000000 12.990383 0.000000\n0.000000 0.000000 14.282645\nNa P H S O\n12 4 88 12 48\ndirect\n0.014696 0.990790 0.399352 Na\n0.993674 0.207837 0.766962 Na\n0.006745 0.236682 0.461137 Na\n0.506745 0.263318 0.961137 Na\n0.493674 0.292163 0.266962 Na\n0.514696 0.509210 0.899352 Na\n0.485304 0.490790 0.399352 Na\n0.506326 0.707837 0.766962 Na\n0.493255 0.736682 0.461137 Na\n0.993255 0.763318 0.961137 Na\n0.006326 0.792163 0.266962 Na\n0.985304 0.009210 0.899352 Na\n0.475236 0.088335 0.597591 P\n0.975236 0.411665 0.097591 P\n0.024764 0.588335 0.597591 P\n0.524764 0.911665 0.097591 P\n0.855368 0.996571 0.209145 H\n0.009252 0.033991 0.183875 H\n0.371768 0.061660 0.962692 H\n0.741335 0.076632 0.760455 H\n0.094165 0.079877 0.584037 H\n0.452064 0.082121 0.292392 H\n0.224960 0.078817 0.516262 H\n0.767904 0.100157 0.449305 H\n0.386792 0.091923 0.854180 H\n0.664883 0.080485 0.011455 H\n0.122058 0.121635 0.300871 H\n0.738076 0.118454 0.867220 H\n0.196843 0.153480 0.918106 H\n0.784747 0.150212 0.347541 H\n0.401210 0.114572 0.392276 H\n0.676036 0.139574 0.211667 H\n0.348079 0.176729 0.109894 H\n0.769732 0.177710 0.026597 H\n0.171798 0.228699 0.279157 H\n0.065237 0.203724 0.971546 H\n0.795294 0.208097 0.605935 H\n0.788841 0.228157 0.200720 H\n0.288841 0.271843 0.700720 H\n0.295294 0.291903 0.105935 H\n0.565237 0.296276 0.471546 H\n0.671798 0.271301 0.779157 H\n0.269732 0.322290 0.526597 H\n0.848079 0.323271 0.609894 H\n0.176036 0.360426 0.711667 H\n0.901210 0.385428 0.892276 H\n0.284747 0.349788 0.847541 H\n0.696843 0.346520 0.418106 H\n0.238076 0.381546 0.367220 H\n0.622058 0.378365 0.800871 H\n0.164883 0.419515 0.511455 H\n0.886792 0.408077 0.354180 H\n0.267904 0.399843 0.949305 H\n0.724960 0.421183 0.016262 H\n0.952064 0.417879 0.792392 H\n0.594165 0.420123 0.084037 H\n0.241335 0.423368 0.260455 H\n0.871768 0.438340 0.462692 H\n0.509252 0.466009 0.683875 H\n0.355368 0.503429 0.709145 H\n0.644632 0.496571 0.209145 H\n0.490748 0.533991 0.183875 H\n0.128232 0.561660 0.962692 H\n0.758665 0.576632 0.760455 H\n0.405835 0.579877 0.584037 H\n0.047936 0.582121 0.292392 H\n0.275040 0.578817 0.516262 H\n0.732096 0.600157 0.449305 H\n0.113208 0.591923 0.854180 H\n0.835117 0.580485 0.011455 H\n0.377942 0.621635 0.300871 H\n0.761924 0.618454 0.867220 H\n0.303157 0.653480 0.918106 H\n0.715253 0.650212 0.347541 H\n0.098790 0.614572 0.392276 H\n0.823964 0.639574 0.211667 H\n0.151921 0.676729 0.109894 H\n0.730268 0.677710 0.026597 H\n0.328202 0.728699 0.279157 H\n0.434763 0.703724 0.971546 H\n0.704706 0.708097 0.605935 H\n0.711159 0.728157 0.200720 H\n0.211159 0.771843 0.700720 H\n0.204706 0.791903 0.105935 H\n0.934763 0.796276 0.471546 H\n0.828202 0.771301 0.779157 H\n0.230268 0.822290 0.526597 H\n0.651921 0.823271 0.609894 H\n0.323964 0.860426 0.711667 H\n0.598790 0.885428 0.892276 H\n0.215253 0.849788 0.847541 H\n0.803157 0.846520 0.418106 H\n0.261924 0.881546 0.367220 H\n0.877942 0.878365 0.800871 H\n0.335117 0.919515 0.511455 H\n0.613208 0.908077 0.354180 H\n0.232096 0.899843 0.949305 H\n0.775040 0.921183 0.016262 H\n0.547936 0.917879 0.792392 H\n0.905835 0.920123 0.084037 H\n0.258665 0.923368 0.260455 H\n0.628232 0.938340 0.462692 H\n0.990748 0.966009 0.683875 H\n0.144632 0.003429 0.709145 H\n0.383822 0.023504 0.715874 S\n0.682046 0.039968 0.591931 S\n0.967920 0.254276 0.103320 S\n0.467920 0.245724 0.603320 S\n0.182046 0.460032 0.091931 S\n0.883822 0.476496 0.215874 S\n0.116178 0.523504 0.715874 S\n0.817954 0.539968 0.591931 S\n0.532080 0.754276 0.103320 S\n0.032080 0.745724 0.603320 S\n0.317954 0.960032 0.091931 S\n0.616178 0.976496 0.215874 S\n0.043928 0.023485 0.710307 O\n0.394165 0.048368 0.510480 O\n0.119849 0.086771 0.517783 O\n0.799319 0.099317 0.813804 O\n0.369905 0.120034 0.918257 O\n0.836659 0.117202 0.399902 O\n0.400827 0.136619 0.325745 O\n0.092620 0.161836 0.916349 O\n0.692448 0.150056 0.988060 O\n0.095886 0.192955 0.311414 O\n0.708077 0.205421 0.239853 O\n0.379670 0.248171 0.114028 O\n0.879670 0.251829 0.614028 O\n0.208077 0.294579 0.739853 O\n0.595886 0.307045 0.811414 O\n0.192448 0.349944 0.488060 O\n0.592620 0.338164 0.416349 O\n0.900827 0.363381 0.825745 O\n0.336659 0.382798 0.899902 O\n0.869905 0.379966 0.418257 O\n0.299319 0.400683 0.313804 O\n0.619849 0.413229 0.017783 O\n0.894165 0.451632 0.010480 O\n0.543928 0.476515 0.210307 O\n0.456072 0.523485 0.710307 O\n0.105835 0.548368 0.510480 O\n0.380151 0.586771 0.517783 O\n0.700681 0.599317 0.813804 O\n0.130095 0.620034 0.918257 O\n0.663341 0.617202 0.399902 O\n0.099173 0.636619 0.325745 O\n0.407380 0.661836 0.916349 O\n0.807552 0.650056 0.988060 O\n0.404114 0.692955 0.311414 O\n0.791923 0.705421 0.239853 O\n0.120330 0.748171 0.114028 O\n0.620330 0.751829 0.614028 O\n0.291923 0.794579 0.739853 O\n0.904114 0.807045 0.811414 O\n0.307552 0.849944 0.488060 O\n0.907380 0.838164 0.416349 O\n0.599173 0.863381 0.825745 O\n0.163341 0.882798 0.899902 O\n0.630095 0.879966 0.418257 O\n0.200681 0.900683 0.313804 O\n0.880151 0.913229 0.017783 O\n0.605835 0.951632 0.010480 O\n0.956072 0.976515 0.210307 O\n",
            "nsites": 164,
            "nelements": 5,
            "elements": [
                "Na",
                "P",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "H-Na-O-P-S",
            "density": 1.5406380602125087,
            "density_atomic": 0.09271030086995641,
            "volume": 1768.95122182853,
            "volume_molar": 6.4956544240398735,
            "formula_full": "Na12 P4 H88 S12 O48",
            "formula_reduced": "Na3PH22(SO4)3",
            "formula_anonymous": "AB3C3D12E22",
            "energy": -833.3828875900001,
            "energy_per_atom": -5.0816029731097565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -794.3708875900002,
            "band_gap": 3.1109,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0027676,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.446000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-722502",
            "created_at": "2022-09-04T14:42:57.098610Z",
            "structure_string": "Li6 P22 H102 N34\n1.0\n11.990241 0.000000 0.000000\n-2.109305 -12.406078 0.000000\n-2.158750 0.358623 -12.405838\nLi P H N\n6 22 102 34\ndirect\n0.746067 0.978124 0.239503 Li\n0.253933 0.021876 0.760497 Li\n0.873748 0.391941 0.284015 Li\n0.126252 0.608059 0.715985 Li\n0.781551 0.746852 0.915004 Li\n0.218449 0.253148 0.084996 Li\n0.738021 0.236108 0.577703 P\n0.261979 0.763892 0.422297 P\n0.593244 0.311437 0.780441 P\n0.406756 0.688563 0.219559 P\n0.705702 0.068804 0.802478 P\n0.294298 0.931196 0.197522 P\n0.755350 0.419705 0.760050 P\n0.244650 0.580295 0.239950 P\n0.898958 0.214674 0.688789 P\n0.101042 0.785326 0.311211 P\n0.783139 0.195395 0.929522 P\n0.216861 0.804605 0.070478 P\n0.885427 0.315693 0.832954 P\n0.114573 0.684307 0.167046 P\n0.856408 0.047921 0.734746 P\n0.143592 0.952079 0.265254 P\n0.747696 0.409698 0.587064 P\n0.252304 0.590302 0.412936 P\n0.606203 0.166305 0.680032 P\n0.393797 0.833695 0.319968 P\n0.633637 0.266295 0.947450 P\n0.366363 0.733705 0.052550 P\n0.890939 0.938019 0.926946 H\n0.109061 0.061981 0.073054 H\n0.963474 0.878003 0.025996 H\n0.036526 0.121997 0.974004 H\n0.850229 0.926439 0.044221 H\n0.149771 0.073561 0.955779 H\n0.999412 0.463020 0.136991 H\n0.000588 0.536980 0.863009 H\n0.981993 0.330950 0.130084 H\n0.018007 0.669050 0.869916 H\n0.875607 0.391853 0.079494 H\n0.124393 0.608147 0.920506 H\n0.868022 0.134548 0.152113 H\n0.131978 0.865452 0.847887 H\n0.911149 0.139905 0.284788 H\n0.088851 0.860095 0.715212 H\n0.957992 0.056442 0.209908 H\n0.042008 0.943558 0.790092 H\n0.737392 0.788438 0.156303 H\n0.262608 0.211562 0.843697 H\n0.860876 0.806812 0.239866 H\n0.139124 0.193188 0.760134 H\n0.739533 0.776620 0.284673 H\n0.260467 0.223380 0.715327 H\n0.949183 0.382490 0.484138 H\n0.050817 0.617510 0.515862 H\n0.014617 0.297225 0.429558 H\n0.985383 0.702775 0.570442 H\n0.055045 0.429581 0.419100 H\n0.944955 0.570419 0.580900 H\n0.545360 0.925567 0.111827 H\n0.454640 0.074433 0.888173 H\n0.573058 0.057151 0.124623 H\n0.426942 0.942849 0.875377 H\n0.637339 0.997543 0.045385 H\n0.362661 0.002457 0.954615 H\n0.873745 0.756235 0.724807 H\n0.126255 0.243765 0.275193 H\n0.774758 0.650757 0.732204 H\n0.225242 0.349243 0.267796 H\n0.739552 0.771319 0.711739 H\n0.260448 0.228681 0.288261 H\n0.750720 0.601355 0.056032 H\n0.249280 0.398645 0.943968 H\n0.888394 0.620657 0.049862 H\n0.111606 0.379343 0.950138 H\n0.794076 0.545352 0.956928 H\n0.205924 0.454648 0.043072 H\n0.904680 0.603899 0.305126 H\n0.095320 0.396101 0.694874 H\n0.806992 0.552557 0.376848 H\n0.193008 0.447443 0.623152 H\n0.771812 0.549987 0.244504 H\n0.228188 0.450013 0.755496 H\n0.710652 0.219735 0.314212 H\n0.289348 0.780265 0.685788 H\n0.661753 0.332064 0.284065 H\n0.338247 0.667936 0.715935 H\n0.689719 0.258121 0.187038 H\n0.310281 0.741879 0.812962 H\n0.610686 0.985313 0.383706 H\n0.389314 0.014687 0.616294 H\n0.732978 0.064220 0.432867 H\n0.267022 0.935780 0.567133 H\n0.724089 0.933399 0.430336 H\n0.275911 0.066601 0.569664 H\n0.556162 0.759159 0.945449 H\n0.443838 0.240841 0.054551 H\n0.618239 0.850717 0.870567 H\n0.381761 0.149283 0.129433 H\n0.567479 0.727067 0.822385 H\n0.432521 0.272933 0.177615 H\n0.468445 0.336856 0.358829 H\n0.531555 0.663144 0.641171 H\n0.570161 0.434437 0.413141 H\n0.429839 0.565563 0.586859 H\n0.454817 0.463594 0.337100 H\n0.545183 0.536406 0.662900 H\n0.617959 0.675453 0.374430 H\n0.382041 0.324547 0.625570 H\n0.636302 0.711125 0.502069 H\n0.363698 0.288875 0.497931 H\n0.744088 0.735112 0.436933 H\n0.255912 0.264888 0.563067 H\n0.519841 0.857501 0.662103 H\n0.480159 0.142499 0.337897 H\n0.633068 0.915324 0.615592 H\n0.366932 0.084676 0.384408 H\n0.522338 0.847349 0.533071 H\n0.477662 0.152651 0.466929 H\n0.914509 0.918166 0.583135 H\n0.085491 0.081834 0.416865 H\n0.859102 0.810291 0.507791 H\n0.140898 0.189709 0.492209 H\n0.972698 0.887168 0.477983 H\n0.027302 0.112832 0.522017 H\n0.580718 0.463049 0.205400 H\n0.419282 0.536951 0.794600 H\n0.563458 0.579361 0.155058 H\n0.436542 0.420639 0.844942 H\n0.583862 0.483602 0.075432 H\n0.416138 0.516398 0.924568 H\n0.882241 0.885759 0.988978 N\n0.117759 0.114241 0.011022 N\n0.941898 0.394194 0.143269 N\n0.058102 0.605806 0.856731 N\n0.886701 0.089085 0.218108 N\n0.113299 0.910915 0.781892 N\n0.778400 0.822037 0.229673 N\n0.221600 0.177963 0.770327 N\n0.985478 0.369198 0.418352 N\n0.014522 0.630802 0.581648 N\n0.611008 0.990875 0.118695 N\n0.388992 0.009125 0.881305 N\n0.799485 0.730998 0.754164 N\n0.200515 0.269002 0.245836 N\n0.808096 0.614773 0.003796 N\n0.191904 0.385227 0.996204 N\n0.837437 0.542310 0.306974 N\n0.162563 0.457690 0.693026 N\n0.717849 0.284590 0.265517 N\n0.282151 0.715410 0.734483 N\n0.698235 0.995901 0.386222 N\n0.301765 0.004099 0.613778 N\n0.610334 0.770800 0.890138 N\n0.389666 0.229200 0.109862 N\n0.512267 0.410931 0.343649 N\n0.487733 0.589069 0.656351 N\n0.673747 0.679147 0.445565 N\n0.326253 0.320853 0.554435 N\n0.571885 0.846685 0.607984 N\n0.428115 0.153315 0.392016 N\n0.935433 0.856505 0.540860 N\n0.064567 0.143495 0.459140 N\n0.609508 0.518077 0.151115 N\n0.390492 0.481923 0.848885 N\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "Li",
                "P",
                "H",
                "N"
            ],
            "chemical_system": "H-Li-N-P",
            "density": 1.1716747214622172,
            "density_atomic": 0.08887002915430599,
            "volume": 1845.3915404398601,
            "volume_molar": 6.776346106001262,
            "formula_full": "Li6 P22 H102 N34",
            "formula_reduced": "Li3P11(H3N)17",
            "formula_anonymous": "A3B11C17D51",
            "energy": -827.93645424,
            "energy_per_atom": -5.048393013658536,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -815.66245424,
            "band_gap": 1.9668,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:59.585000Z",
            "spacegroup": 2
        }
    ]
}