GET /third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct
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=-is_gap_direct&page=2",
    "previous": null,
    "results": [
        {
            "id": "mp-1215051",
            "created_at": "2022-09-04T14:41:35.371262Z",
            "structure_string": "Ba4 H28 C24 S8 N8 O30\n1.0\n7.022876 3.963882 -1.090938\n7.022876 -3.963882 -1.090938\n0.268948 0.000000 -22.491384\nBa H C S N O\n4 28 24 8 8 30\ndirect\n0.706987 0.968424 0.734353 Ba\n0.293013 0.031576 0.265647 Ba\n0.031576 0.293013 0.765647 Ba\n0.968424 0.706987 0.234353 Ba\n0.669135 0.216143 0.855884 H\n0.330865 0.783857 0.144116 H\n0.783857 0.330865 0.644116 H\n0.216143 0.669135 0.355884 H\n0.571126 0.621087 0.724800 H\n0.428874 0.378913 0.275200 H\n0.378913 0.428874 0.775200 H\n0.621087 0.571126 0.224800 H\n0.398464 0.437785 0.704788 H\n0.601536 0.562215 0.295212 H\n0.562215 0.601536 0.795212 H\n0.437785 0.398464 0.204788 H\n0.199121 0.839977 0.715659 H\n0.800879 0.160023 0.284341 H\n0.160023 0.800879 0.784341 H\n0.839977 0.199121 0.215659 H\n0.295823 0.219921 0.648884 H\n0.704177 0.780079 0.351116 H\n0.780079 0.704177 0.851116 H\n0.219921 0.295823 0.148884 H\n0.352545 0.997842 0.659794 H\n0.647455 0.002158 0.340206 H\n0.002158 0.647455 0.840206 H\n0.997842 0.352545 0.159794 H\n0.869667 0.017373 0.855389 H\n0.130333 0.982627 0.144611 H\n0.982627 0.130333 0.644611 H\n0.017373 0.869667 0.355389 H\n0.249792 0.070595 0.917991 C\n0.750208 0.929405 0.082009 C\n0.929405 0.750208 0.582009 C\n0.070595 0.249792 0.417991 C\n0.161958 0.074530 0.515113 C\n0.838042 0.925470 0.484887 C\n0.925470 0.838042 0.984887 C\n0.074530 0.161958 0.015113 C\n0.482965 0.663787 0.612825 C\n0.517035 0.336213 0.387175 C\n0.336213 0.517035 0.887175 C\n0.663787 0.482965 0.112825 C\n0.374572 0.808947 0.562697 C\n0.625428 0.191053 0.437303 C\n0.191053 0.625428 0.937303 C\n0.808947 0.374572 0.062697 C\n0.280698 0.979620 0.464333 C\n0.719302 0.020380 0.535667 C\n0.020380 0.719302 0.035667 C\n0.979620 0.280698 0.964333 C\n0.408161 0.969662 0.869757 C\n0.591839 0.030338 0.130243 C\n0.030338 0.591839 0.630243 C\n0.969662 0.408161 0.369757 C\n0.756560 0.469630 0.988607 S\n0.243440 0.530370 0.011393 S\n0.530370 0.243440 0.511393 S\n0.469630 0.756560 0.488607 S\n0.299993 0.976309 0.991975 S\n0.700007 0.023691 0.008025 S\n0.023691 0.700007 0.508025 S\n0.976309 0.299993 0.491975 S\n0.228170 0.078195 0.409458 N\n0.771830 0.921805 0.590542 N\n0.921805 0.771830 0.090542 N\n0.078195 0.228170 0.909458 N\n0.213659 0.978995 0.570189 N\n0.786341 0.021005 0.429811 N\n0.021005 0.786341 0.929811 N\n0.978995 0.213659 0.070189 N\n0.782441 0.127344 0.828663 O\n0.217559 0.872656 0.171337 O\n0.872656 0.217559 0.671337 O\n0.127344 0.782441 0.328663 O\n0.102442 0.897558 0.750000 O\n0.897558 0.102442 0.250000 O\n0.415121 0.709094 0.667088 O\n0.584879 0.290906 0.332912 O\n0.290906 0.584879 0.832912 O\n0.709094 0.415121 0.167088 O\n0.489973 0.365562 0.902666 O\n0.510027 0.634438 0.097334 O\n0.634438 0.510027 0.597334 O\n0.365562 0.489973 0.402666 O\n0.561642 0.821916 0.888389 O\n0.438358 0.178084 0.111611 O\n0.178084 0.438358 0.611611 O\n0.821916 0.561642 0.388389 O\n0.401628 0.353357 0.740702 O\n0.598372 0.646643 0.259298 O\n0.646643 0.598372 0.759298 O\n0.353357 0.401628 0.240702 O\n0.352206 0.100511 0.677748 O\n0.647794 0.899489 0.322252 O\n0.899489 0.647794 0.822252 O\n0.100511 0.352206 0.177748 O\n0.377426 0.040842 0.815493 O\n0.622574 0.959158 0.184507 O\n0.959158 0.622574 0.684507 O\n0.040842 0.377426 0.315493 O\n",
            "nsites": 102,
            "nelements": 6,
            "elements": [
                "Ba",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "Ba-C-H-N-O-S",
            "density": 2.277573068323237,
            "density_atomic": 0.08160668670518163,
            "volume": 1249.8975772474719,
            "volume_molar": 7.379469750752205,
            "formula_full": "Ba4 H28 C24 S8 N8 O30",
            "formula_reduced": "Ba2H14C12S4N4O15",
            "formula_anonymous": "A2B4C4D12E14F15",
            "energy": -685.7830508400001,
            "energy_per_atom": -6.723363243529413,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -658.26105084,
            "band_gap": 2.6438,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 6.91e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:22.750000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1195799",
            "created_at": "2022-09-04T14:41:36.593689Z",
            "structure_string": "K6 Fe6 B6 O21\n1.0\n4.429897 -7.672807 0.000000\n4.429897 7.672807 0.000000\n0.000000 0.000000 8.706207\nK Fe B O\n6 6 6 21\ndirect\n0.681040 0.681040 0.000000 K\n0.000000 0.318960 0.000000 K\n0.318960 0.000000 0.000000 K\n0.647666 0.647666 0.500000 K\n0.000000 0.352334 0.500000 K\n0.352334 0.000000 0.500000 K\n0.000000 0.000000 0.287173 Fe\n0.000000 0.000000 0.712827 Fe\n0.666667 0.333333 0.192647 Fe\n0.333333 0.666667 0.807353 Fe\n0.333333 0.666667 0.234968 Fe\n0.666667 0.333333 0.765032 Fe\n0.001513 0.665597 0.258978 B\n0.664084 0.998487 0.258978 B\n0.334403 0.335916 0.258978 B\n0.335916 0.334403 0.741022 B\n0.998487 0.664084 0.741022 B\n0.665597 0.001513 0.741022 B\n0.000000 0.000000 0.500000 O\n0.333333 0.666667 0.021200 O\n0.666667 0.333333 0.978800 O\n0.564862 0.825187 0.301773 O\n0.260325 0.435138 0.301773 O\n0.174813 0.739675 0.301773 O\n0.739675 0.174813 0.698227 O\n0.435138 0.260325 0.698227 O\n0.825187 0.564862 0.698227 O\n0.899112 0.486174 0.258458 O\n0.587062 0.100888 0.258458 O\n0.513826 0.412938 0.258458 O\n0.412938 0.513826 0.741542 O\n0.100888 0.587062 0.741542 O\n0.486174 0.899112 0.741542 O\n0.230171 0.162847 0.217773 O\n0.932675 0.769829 0.217773 O\n0.837153 0.067325 0.217773 O\n0.067325 0.837153 0.782227 O\n0.769829 0.932675 0.782227 O\n0.162847 0.230171 0.782227 O\n",
            "nsites": 39,
            "nelements": 4,
            "elements": [
                "K",
                "Fe",
                "B",
                "O"
            ],
            "chemical_system": "B-Fe-K-O",
            "density": 2.722975018084336,
            "density_atomic": 0.06589579772545456,
            "volume": 591.8435066601354,
            "volume_molar": 9.138884371793162,
            "formula_full": "K6 Fe6 B6 O21",
            "formula_reduced": "K2Fe2B2O7",
            "formula_anonymous": "A2B2C2D7",
            "energy": -289.67869931,
            "energy_per_atom": -7.427658956666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -261.71569931,
            "band_gap": 2.4615,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 29.9997483,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:30.272000Z",
            "spacegroup": 150
        },
        {
            "id": "mp-560131",
            "created_at": "2022-09-04T14:41:35.260418Z",
            "structure_string": "Si8 O16\n1.0\n-6.479032 6.479032 2.567979\n6.479032 -6.479032 2.567979\n6.479032 6.479032 -2.567979\nSi O\n8 16\ndirect\n0.928721 0.928721 0.399620 Si\n0.470899 0.071279 0.000000 Si\n0.500000 0.654390 0.154390 Si\n0.529101 0.529101 0.600380 Si\n0.345610 0.500000 0.845610 Si\n0.654390 0.500000 0.154390 Si\n0.500000 0.345610 0.845610 Si\n0.071279 0.470899 0.000000 Si\n0.253380 0.253380 0.841128 O\n0.087972 0.385696 0.852641 O\n0.252359 0.252359 0.467820 O\n0.412251 0.412251 0.158872 O\n0.215461 0.747641 0.000000 O\n0.235331 0.533055 0.147359 O\n0.533055 0.235331 0.147359 O\n0.784539 0.784539 0.532180 O\n0.466945 0.614304 0.702276 O\n0.912028 0.764669 0.297724 O\n0.587749 0.746620 0.000000 O\n0.746620 0.587749 0.000000 O\n0.747641 0.215461 0.000000 O\n0.764669 0.912028 0.297724 O\n0.614304 0.466945 0.702276 O\n0.385696 0.087972 0.852641 O\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.8510936083004257,
            "density_atomic": 0.05565952972560464,
            "volume": 431.1930071690753,
            "volume_molar": 10.819604099582753,
            "formula_full": "Si8 O16",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -198.77977993,
            "energy_per_atom": -8.282490830416666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -187.78777993,
            "band_gap": 5.685499999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0011337,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.183000Z",
            "spacegroup": 121
        },
        {
            "id": "mp-7441",
            "created_at": "2022-09-04T14:41:35.886893Z",
            "structure_string": "K8 P8\n1.0\n6.104281 0.000000 0.000000\n0.000000 6.616846 0.000000\n0.000000 0.000000 11.432074\nK P\n8 8\ndirect\n0.396792 0.383490 0.916929 K\n0.896792 0.116510 0.083071 K\n0.603208 0.883490 0.583071 K\n0.103208 0.616510 0.416929 K\n0.664886 0.645233 0.216093 K\n0.164886 0.854767 0.783907 K\n0.335114 0.145233 0.283907 K\n0.835114 0.354767 0.716093 K\n0.165510 0.688946 0.100639 P\n0.665510 0.811054 0.899361 P\n0.834490 0.188946 0.399361 P\n0.334490 0.311054 0.600639 P\n0.906003 0.582201 0.970604 P\n0.406003 0.917799 0.029396 P\n0.093997 0.082201 0.529396 P\n0.593997 0.417799 0.470604 P\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "K",
                "P"
            ],
            "chemical_system": "K-P",
            "density": 2.0159205436613616,
            "density_atomic": 0.03465049245760692,
            "volume": 461.75389915670513,
            "volume_molar": 17.379668607503273,
            "formula_full": "K8 P8",
            "formula_reduced": "KP",
            "formula_anonymous": "AB",
            "energy": -58.78874936,
            "energy_per_atom": -3.674296835,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.78874936,
            "band_gap": 1.0349999999999997,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0027501,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:25.854000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-1218635",
            "created_at": "2022-09-04T14:41:36.592582Z",
            "structure_string": "Sr1 Ca3 Al8 Si8 O40\n1.0\n13.086230 0.000000 0.000000\n0.000000 5.910762 0.000000\n0.000000 0.024264 8.925043\nSr Ca Al Si O\n1 3 8 8 40\ndirect\n0.500000 0.994396 0.671809 Sr\n0.000000 0.503888 0.836059 Ca\n0.000000 0.003951 0.337028 Ca\n0.500000 0.494966 0.162950 Ca\n0.751672 0.250942 0.750013 Al\n0.750499 0.749888 0.249952 Al\n0.249501 0.749888 0.249952 Al\n0.248328 0.250942 0.750013 Al\n0.750623 0.250161 0.250016 Al\n0.751820 0.748936 0.750066 Al\n0.249377 0.250161 0.250016 Al\n0.248180 0.748936 0.750066 Al\n0.620500 0.500943 0.519318 Si\n0.619906 0.001261 0.023071 Si\n0.118583 0.498812 0.479078 Si\n0.118654 0.998760 0.979282 Si\n0.881417 0.498812 0.479078 Si\n0.881346 0.998760 0.979282 Si\n0.379500 0.500943 0.519318 Si\n0.380094 0.001261 0.023071 Si\n0.691481 0.499489 0.851435 O\n0.691303 0.999697 0.351118 O\n0.190418 0.500447 0.148189 O\n0.190401 0.000446 0.649343 O\n0.809582 0.500447 0.148189 O\n0.809599 0.000446 0.649343 O\n0.308519 0.499489 0.851435 O\n0.308697 0.999697 0.351118 O\n0.363323 0.231271 0.122503 O\n0.359299 0.727021 0.619278 O\n0.865083 0.770252 0.878654 O\n0.864585 0.270213 0.377997 O\n0.134917 0.770252 0.878654 O\n0.135415 0.270213 0.377997 O\n0.636677 0.231271 0.122503 O\n0.640701 0.727021 0.619278 O\n0.684202 0.499361 0.360141 O\n0.683405 0.999316 0.863103 O\n0.181807 0.500350 0.638720 O\n0.184466 0.000399 0.137019 O\n0.818193 0.500350 0.638720 O\n0.815534 0.000399 0.137019 O\n0.315798 0.499361 0.360141 O\n0.316595 0.999316 0.863103 O\n0.000000 0.473876 0.112610 O\n0.000000 0.973901 0.612550 O\n0.500000 0.528037 0.887268 O\n0.500000 0.028331 0.373579 O\n0.635085 0.771513 0.124623 O\n0.638898 0.275094 0.621614 O\n0.133822 0.227043 0.876689 O\n0.134330 0.727246 0.376089 O\n0.866178 0.227043 0.876689 O\n0.865670 0.727246 0.376089 O\n0.364915 0.771513 0.124623 O\n0.361102 0.275094 0.621614 O\n0.000000 0.496330 0.545475 O\n0.000000 0.996409 0.046951 O\n0.500000 0.503882 0.457028 O\n0.500000 0.004314 0.962072 O\n",
            "nsites": 60,
            "nelements": 5,
            "elements": [
                "Sr",
                "Ca",
                "Al",
                "Si",
                "O"
            ],
            "chemical_system": "Al-Ca-O-Si-Sr",
            "density": 3.0989895942191388,
            "density_atomic": 0.08691263391074629,
            "volume": 690.3484257722089,
            "volume_molar": 6.928958989074424,
            "formula_full": "Sr1 Ca3 Al8 Si8 O40",
            "formula_reduced": "SrCa3Al8(SiO5)8",
            "formula_anonymous": "AB3C8D8E40",
            "energy": -441.7729698600001,
            "energy_per_atom": -7.362882831000002,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -414.29296986,
            "band_gap": 0.0268999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 16.0000014,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.112000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-18834",
            "created_at": "2022-09-04T14:41:35.362950Z",
            "structure_string": "Sr2 Mo2 O8\n1.0\n-2.744394 2.744394 6.110874\n2.744394 -2.744394 6.110874\n2.744394 2.744394 -6.110874\nSr Mo O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Mo\n0.750000 0.250000 0.500000 Mo\n0.533011 0.930383 0.127451 O\n0.947067 0.844440 0.627451 O\n0.594440 0.466989 0.397373 O\n0.069617 0.197067 0.602627 O\n0.680383 0.052933 0.897373 O\n0.216989 0.319617 0.372549 O\n0.802933 0.405560 0.872549 O\n0.155560 0.783011 0.102627 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Sr",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Sr",
            "density": 4.465798402732403,
            "density_atomic": 0.06518159797073063,
            "volume": 184.10104037934943,
            "volume_molar": 9.239019826890717,
            "formula_full": "Sr2 Mo2 O8",
            "formula_reduced": "SrMoO4",
            "formula_anonymous": "ABC4",
            "energy": -96.63832215,
            "energy_per_atom": -8.0531935125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.73832215,
            "band_gap": 3.592,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000754,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:29.745000Z",
            "spacegroup": 88
        },
        {
            "id": "mp-1224600",
            "created_at": "2022-09-04T14:41:36.779437Z",
            "structure_string": "K10 Mn4 Sn4 S17\n1.0\n7.225609 -7.164465 0.000000\n7.225609 7.164465 0.000000\n0.121770 0.000000 10.174683\nK Mn Sn S\n10 4 4 17\ndirect\n0.000487 0.000487 0.499227 K\n0.499227 0.000487 0.000487 K\n0.000487 0.499227 0.000487 K\n0.498336 0.955699 0.498336 K\n0.498336 0.498336 0.955699 K\n0.955699 0.498336 0.498336 K\n0.656141 0.329983 0.329983 K\n0.329983 0.656141 0.329983 K\n0.329983 0.329983 0.656141 K\n0.670673 0.670673 0.670673 K\n0.863865 0.136480 0.136480 Mn\n0.136480 0.863865 0.136480 Mn\n0.136480 0.136480 0.863865 Mn\n0.864104 0.864104 0.864104 Mn\n0.224227 0.224227 0.224227 Sn\n0.224736 0.775179 0.775179 Sn\n0.775179 0.775179 0.224736 Sn\n0.775179 0.224736 0.775179 Sn\n0.999207 0.999207 0.999207 S\n0.357129 0.357129 0.357129 S\n0.367243 0.643766 0.643766 S\n0.643766 0.643766 0.367243 S\n0.643766 0.367243 0.643766 S\n0.274045 0.993465 0.274045 S\n0.274045 0.274045 0.993465 S\n0.993465 0.274045 0.274045 S\n0.274313 0.004714 0.723856 S\n0.274313 0.723856 0.004714 S\n0.996147 0.724808 0.724808 S\n0.723856 0.004714 0.274313 S\n0.724808 0.724808 0.996147 S\n0.004714 0.723856 0.274313 S\n0.724808 0.996147 0.724808 S\n0.723856 0.274313 0.004714 S\n0.004714 0.274313 0.723856 S\n",
            "nsites": 35,
            "nelements": 4,
            "elements": [
                "K",
                "Mn",
                "Sn",
                "S"
            ],
            "chemical_system": "K-Mn-S-Sn",
            "density": 2.570447776909869,
            "density_atomic": 0.03322453711889357,
            "volume": 1053.4383029853195,
            "volume_molar": 18.12558212158035,
            "formula_full": "K10 Mn4 Sn4 S17",
            "formula_reduced": "K10Mn4Sn4S17",
            "formula_anonymous": "A4B4C10D17",
            "energy": -173.74929271,
            "energy_per_atom": -4.964265505999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -165.19829271,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 20.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.926000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1202319",
            "created_at": "2022-09-04T14:41:35.303139Z",
            "structure_string": "Cs20 Ge4 P12\n1.0\n14.544215 0.000000 0.000000\n0.000000 6.032269 0.000000\n0.000000 0.000000 15.976466\nCs Ge P\n20 4 12\ndirect\n0.560866 0.250000 0.550370 Cs\n0.060866 0.250000 0.949630 Cs\n0.439134 0.750000 0.449630 Cs\n0.939134 0.750000 0.050370 Cs\n0.616389 0.250000 0.310656 Cs\n0.116389 0.250000 0.189344 Cs\n0.383611 0.750000 0.689344 Cs\n0.883611 0.750000 0.810656 Cs\n0.854473 0.250000 0.450879 Cs\n0.354473 0.250000 0.049121 Cs\n0.145527 0.750000 0.549121 Cs\n0.645527 0.750000 0.950879 Cs\n0.273681 0.250000 0.793838 Cs\n0.773681 0.250000 0.706162 Cs\n0.726319 0.750000 0.206162 Cs\n0.226319 0.750000 0.293838 Cs\n0.047727 0.250000 0.649074 Cs\n0.547727 0.250000 0.850926 Cs\n0.952273 0.750000 0.350926 Cs\n0.452273 0.750000 0.149074 Cs\n0.261084 0.250000 0.436112 Ge\n0.761084 0.250000 0.063888 Ge\n0.738916 0.750000 0.563888 Ge\n0.238916 0.750000 0.936112 Ge\n0.105454 0.250000 0.412697 P\n0.605454 0.250000 0.087303 P\n0.894546 0.750000 0.587303 P\n0.394546 0.750000 0.912697 P\n0.307179 0.250000 0.573493 P\n0.807179 0.250000 0.926507 P\n0.692821 0.750000 0.426507 P\n0.192821 0.750000 0.073493 P\n0.364800 0.250000 0.327736 P\n0.864800 0.250000 0.172264 P\n0.635200 0.750000 0.672264 P\n0.135200 0.750000 0.827736 P\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Cs",
                "Ge",
                "P"
            ],
            "chemical_system": "Cs-Ge-P",
            "density": 3.933524000831186,
            "density_atomic": 0.025683298266434052,
            "volume": 1401.6891298984376,
            "volume_molar": 23.447692338917545,
            "formula_full": "Cs20 Ge4 P12",
            "formula_reduced": "Cs5GeP3",
            "formula_anonymous": "AB3C5",
            "energy": -112.15184108,
            "energy_per_atom": -3.115328918888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.15184108,
            "band_gap": 0.8685,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1795563,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:28.367000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-764354",
            "created_at": "2022-09-04T14:41:35.315051Z",
            "structure_string": "Li4 Mn4 F20\n1.0\n5.472968 0.000000 0.000000\n0.000000 5.472968 0.000000\n0.000000 0.000000 11.492108\nLi Mn F\n4 4 20\ndirect\n0.053905 0.315434 0.846430 Li\n0.315434 0.946095 0.596430 Li\n0.684566 0.053905 0.096430 Li\n0.946095 0.684566 0.346430 Li\n0.184709 0.480714 0.117136 Mn\n0.480714 0.815291 0.867136 Mn\n0.519286 0.184709 0.367136 Mn\n0.815291 0.519286 0.617136 Mn\n0.002180 0.728678 0.180915 F\n0.018757 0.769478 0.647964 F\n0.011458 0.515956 0.985308 F\n0.282481 0.429888 0.286288 F\n0.271322 0.002180 0.430915 F\n0.230522 0.018757 0.897964 F\n0.279410 0.583743 0.811488 F\n0.484044 0.011458 0.235308 F\n0.583743 0.720590 0.561488 F\n0.429888 0.717519 0.036288 F\n0.570112 0.282481 0.536288 F\n0.416257 0.279410 0.061488 F\n0.515956 0.988542 0.735308 F\n0.720590 0.416257 0.311488 F\n0.769478 0.981243 0.397964 F\n0.728678 0.997820 0.930915 F\n0.717519 0.570112 0.786288 F\n0.988542 0.484044 0.485308 F\n0.981243 0.230522 0.147964 F\n0.997820 0.271322 0.680915 F\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Li",
                "Mn",
                "F"
            ],
            "chemical_system": "F-Li-Mn",
            "density": 3.026958078219434,
            "density_atomic": 0.0813415633082841,
            "volume": 344.22746331884656,
            "volume_molar": 7.403522277013681,
            "formula_full": "Li4 Mn4 F20",
            "formula_reduced": "LiMnF5",
            "formula_anonymous": "ABC5",
            "energy": -155.53001987000002,
            "energy_per_atom": -5.554643566785715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -139.61801987,
            "band_gap": 1.652,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 11.998839,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:31.692000Z",
            "spacegroup": 76
        },
        {
            "id": "mp-1214014",
            "created_at": "2022-09-04T14:41:35.306414Z",
            "structure_string": "Cs8 Na4 U4 Br24\n1.0\n11.687164 0.000000 0.000000\n0.000000 11.687164 0.000000\n0.000000 0.000000 11.687164\nCs Na U Br\n8 4 4 24\ndirect\n0.249147 0.249147 0.249147 Cs\n0.750853 0.750853 0.750853 Cs\n0.250853 0.750853 0.749147 Cs\n0.750853 0.749147 0.250853 Cs\n0.749147 0.249147 0.250853 Cs\n0.249147 0.250853 0.749147 Cs\n0.749147 0.250853 0.750853 Cs\n0.250853 0.749147 0.249147 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.993154 0.247303 0.006632 Br\n0.006846 0.752697 0.993368 Br\n0.506846 0.752697 0.506632 Br\n0.006846 0.747303 0.493368 Br\n0.006632 0.993154 0.247303 Br\n0.493154 0.247303 0.493368 Br\n0.993154 0.252697 0.506632 Br\n0.993368 0.006846 0.752697 Br\n0.493154 0.252697 0.993368 Br\n0.506632 0.506846 0.752697 Br\n0.506846 0.747303 0.006632 Br\n0.493368 0.493154 0.247303 Br\n0.493368 0.006846 0.747303 Br\n0.506632 0.993154 0.252697 Br\n0.993368 0.493154 0.252697 Br\n0.006632 0.506846 0.747303 Br\n0.247303 0.006632 0.993154 Br\n0.752697 0.993368 0.006846 Br\n0.747303 0.493368 0.006846 Br\n0.252697 0.506632 0.993154 Br\n0.252697 0.993368 0.493154 Br\n0.747303 0.006632 0.506846 Br\n0.752697 0.506632 0.506846 Br\n0.247303 0.493368 0.493154 Br\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Cs",
                "Na",
                "U",
                "Br"
            ],
            "chemical_system": "Br-Cs-Na-U",
            "density": 4.1868665020895595,
            "density_atomic": 0.025057202132338616,
            "volume": 1596.347420942753,
            "volume_molar": 24.033572176950575,
            "formula_full": "Cs8 Na4 U4 Br24",
            "formula_reduced": "Cs2NaUBr6",
            "formula_anonymous": "ABC2D6",
            "energy": -173.65805609,
            "energy_per_atom": -4.34145140225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -160.84205609000003,
            "band_gap": 0.1882000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.047724,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.702000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1222907",
            "created_at": "2022-09-04T14:41:36.283872Z",
            "structure_string": "Li2 P2 H44 C16 O8\n1.0\n7.136242 4.514844 -1.747301\n7.136242 -4.514844 -1.747301\n0.101986 0.000000 -13.714132\nLi P H C O\n2 2 44 16 8\ndirect\n0.931661 0.068339 0.250000 Li\n0.068339 0.931661 0.750000 Li\n0.215525 0.784475 0.250000 P\n0.784475 0.215525 0.750000 P\n0.510034 0.324869 0.386173 H\n0.675131 0.489966 0.113827 H\n0.489966 0.675131 0.613827 H\n0.324869 0.510034 0.886173 H\n0.312412 0.083737 0.277152 H\n0.916263 0.687588 0.222848 H\n0.687588 0.916263 0.722848 H\n0.083737 0.312412 0.777152 H\n0.735837 0.427952 0.373537 H\n0.572048 0.264163 0.126463 H\n0.264163 0.572048 0.626463 H\n0.427952 0.735837 0.873537 H\n0.241441 0.199730 0.159344 H\n0.800270 0.758559 0.340656 H\n0.758559 0.800270 0.840656 H\n0.199730 0.241441 0.659344 H\n0.244616 0.318082 0.252611 H\n0.681918 0.755384 0.247389 H\n0.755384 0.681918 0.747389 H\n0.318082 0.244616 0.752611 H\n0.782032 0.304319 0.495460 H\n0.695681 0.217968 0.004540 H\n0.217968 0.695681 0.504540 H\n0.304319 0.782032 0.995460 H\n0.040366 0.352235 0.397421 H\n0.647765 0.959634 0.102579 H\n0.959634 0.647765 0.602579 H\n0.352235 0.040366 0.897421 H\n0.085932 0.124007 0.424599 H\n0.875993 0.914068 0.075401 H\n0.914068 0.875993 0.575401 H\n0.124007 0.085932 0.924599 H\n0.573539 0.196471 0.504515 H\n0.803529 0.426461 0.995485 H\n0.426461 0.803529 0.495485 H\n0.196471 0.573539 0.004515 H\n0.579244 0.091602 0.402860 H\n0.908398 0.420756 0.097140 H\n0.420756 0.908398 0.597140 H\n0.091602 0.579244 0.902860 H\n0.272594 0.627531 0.206601 H\n0.372469 0.727406 0.293399 H\n0.727406 0.372469 0.793399 H\n0.627531 0.272594 0.706601 H\n0.221154 0.208510 0.239901 C\n0.791490 0.778846 0.260099 C\n0.778846 0.791490 0.760099 C\n0.208510 0.221154 0.739901 C\n0.814725 0.298959 0.413455 C\n0.701041 0.185275 0.086545 C\n0.185275 0.701041 0.586545 C\n0.298959 0.814725 0.913455 C\n0.007170 0.250520 0.382415 C\n0.749480 0.992830 0.117585 C\n0.992830 0.749480 0.617585 C\n0.250520 0.007170 0.882415 C\n0.599963 0.197097 0.422237 C\n0.802903 0.400037 0.077763 C\n0.400037 0.802903 0.577763 C\n0.197097 0.599963 0.922237 C\n0.043470 0.237823 0.276715 O\n0.762177 0.956530 0.223285 O\n0.956530 0.762177 0.723285 O\n0.237823 0.043470 0.776715 O\n0.778358 0.166490 0.387481 O\n0.833510 0.221642 0.112519 O\n0.221642 0.833510 0.612519 O\n0.166490 0.778358 0.887481 O\n",
            "nsites": 72,
            "nelements": 5,
            "elements": [
                "Li",
                "P",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-Li-O-P",
            "density": 0.8289404013663784,
            "density_atomic": 0.08162315102462035,
            "volume": 882.1026767060526,
            "volume_molar": 7.377981227634199,
            "formula_full": "Li2 P2 H44 C16 O8",
            "formula_reduced": "LiPH22(C2O)4",
            "formula_anonymous": "ABC4D8E22",
            "energy": -378.3537446,
            "energy_per_atom": -5.254913119444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -372.8577446000001,
            "band_gap": 2.0371,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002601,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:28.115000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1518460",
            "created_at": "2022-09-04T14:41:35.427132Z",
            "structure_string": "Ba2 Nd2 Eu2 Nb2 O12\n1.0\n6.051590 0.013842 0.018253\n0.017278 6.111222 -0.028276\n0.030073 -0.035915 8.600799\nBa Nd Eu Nb O\n2 2 2 2 12\ndirect\n0.992180 0.031616 0.249986 Ba\n0.007820 0.968384 0.750014 Ba\n0.500000 -0.000000 -0.000000 Nd\n0.000000 0.500000 0.500000 Nd\n0.508145 0.539575 0.251586 Eu\n0.491855 0.460425 0.748414 Eu\n0.000000 0.500000 -0.000000 Nb\n0.500000 -0.000000 0.500000 Nb\n0.195176 0.233281 0.958123 O\n0.314317 0.723634 0.544358 O\n0.804824 0.766719 0.041877 O\n0.685683 0.276366 0.455642 O\n0.272506 0.689381 0.954196 O\n0.234457 0.198348 0.539291 O\n0.727494 0.310619 0.045804 O\n0.765543 0.801652 0.460709 O\n0.430068 0.970839 0.268930 O\n0.090983 0.488752 0.230331 O\n0.569932 0.029161 0.731070 O\n0.909017 0.511248 0.769669 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "Ba",
                "Nd",
                "Eu",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Eu-Nb-Nd-O",
            "density": 6.499098196982975,
            "density_atomic": 0.06287955388557373,
            "volume": 318.0684143592269,
            "volume_molar": 9.577263812906347,
            "formula_full": "Ba2 Nd2 Eu2 Nb2 O12",
            "formula_reduced": "BaNdEuNbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -180.59722321000004,
            "energy_per_atom": -9.029861160500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.35322321,
            "band_gap": 0.1223,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 13.9999907,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.784000Z",
            "spacegroup": 2
        }
    ]
}