GET /third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12137
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_magnetic&page=12138",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12136",
    "results": [
        {
            "id": "mp-686055",
            "created_at": "2022-09-04T14:43:36.715715Z",
            "structure_string": "Sr6 Pr8 O18\n1.0\n7.038050 0.000000 0.000000\n-2.777980 8.800252 0.000000\n-1.213978 -0.721972 9.712418\nSr Pr O\n6 8 18\ndirect\n0.090039 0.736701 0.926850 Sr\n0.780550 0.775691 0.425834 Sr\n0.526650 0.624492 0.060231 Sr\n0.837897 0.199041 0.448204 Sr\n0.649619 0.345418 0.731986 Sr\n0.085634 0.322119 0.924039 Sr\n0.515270 0.168843 0.039030 Pr\n0.193658 0.638429 0.618648 Pr\n0.937825 0.003200 0.154908 Pr\n0.688111 0.927022 0.766395 Pr\n0.352065 0.328068 0.355671 Pr\n0.963508 0.527516 0.237589 Pr\n0.173247 0.056782 0.669788 Pr\n0.354690 0.936094 0.373446 Pr\n0.296171 0.120439 0.200090 O\n0.102224 0.724277 0.405861 O\n0.510519 0.824788 0.552498 O\n0.620533 0.932677 0.252956 O\n0.010270 0.012545 0.927010 O\n0.183563 0.548244 0.087307 O\n0.124823 0.425995 0.445595 O\n0.429909 0.745186 0.848952 O\n0.994600 0.813279 0.668449 O\n0.630006 0.502503 0.302826 O\n0.896390 0.743185 0.123364 O\n0.059007 0.041682 0.419983 O\n0.491303 0.196584 0.511161 O\n0.463790 0.370798 0.935389 O\n0.503290 0.089722 0.812133 O\n0.851002 0.245602 0.130495 O\n0.981932 0.503763 0.770591 O\n0.920906 0.161509 0.683919 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Sr",
                "Pr",
                "O"
            ],
            "chemical_system": "O-Pr-Sr",
            "density": 5.35788253835903,
            "density_atomic": 0.053195532020798825,
            "volume": 601.5542806769632,
            "volume_molar": 11.320764228178815,
            "formula_full": "Sr6 Pr8 O18",
            "formula_reduced": "Sr3Pr4O9",
            "formula_anonymous": "A3B4C9",
            "energy": -243.5838762,
            "energy_per_atom": -7.61199613125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -231.2178762,
            "band_gap": 2.3406,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001646,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:19.776000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-656852",
            "created_at": "2022-09-04T14:43:36.727919Z",
            "structure_string": "Ti26 O44\n1.0\n5.077111 -5.799680 0.000000\n5.077111 5.799680 0.000000\n0.000000 0.000000 14.096888\nTi O\n26 44\ndirect\n0.200822 0.943895 0.818328 Ti\n0.056105 0.799178 0.181672 Ti\n0.233977 0.766023 0.500000 Ti\n0.442783 0.924844 0.349700 Ti\n0.075156 0.557217 0.650300 Ti\n0.424844 0.942783 0.150300 Ti\n0.057217 0.575156 0.849700 Ti\n0.266023 0.733977 0.000000 Ti\n0.443895 0.700822 0.681672 Ti\n0.299178 0.556105 0.318328 Ti\n0.000000 0.000000 0.000000 Ti\n0.659076 0.659076 0.157351 Ti\n0.159076 0.159076 0.342649 Ti\n0.500000 0.500000 0.500000 Ti\n0.340924 0.340924 0.842649 Ti\n0.840924 0.840924 0.657351 Ti\n0.556105 0.299178 0.318328 Ti\n0.700822 0.443895 0.681672 Ti\n0.733977 0.266023 0.000000 Ti\n0.942783 0.424844 0.150300 Ti\n0.575156 0.057217 0.849700 Ti\n0.557217 0.075156 0.650300 Ti\n0.924844 0.442783 0.349700 Ti\n0.766023 0.233977 0.500000 Ti\n0.799178 0.056105 0.181672 Ti\n0.943895 0.200822 0.818328 Ti\n0.223207 0.972566 0.418168 O\n0.027434 0.776793 0.581832 O\n0.207438 0.953693 0.080389 O\n0.046307 0.792562 0.919611 O\n0.394158 0.901348 0.909021 O\n0.098652 0.605842 0.090979 O\n0.278137 0.778137 0.250000 O\n0.221863 0.721863 0.750000 O\n0.401348 0.894158 0.590979 O\n0.105842 0.598652 0.409021 O\n0.619983 0.884134 0.241905 O\n0.615866 0.880017 0.741905 O\n0.119983 0.384134 0.258095 O\n0.115866 0.380017 0.758095 O\n0.453693 0.707438 0.419611 O\n0.292562 0.546307 0.580389 O\n0.472566 0.723207 0.081832 O\n0.276793 0.527434 0.918168 O\n0.848336 0.848336 0.099005 O\n0.510336 0.510336 0.248492 O\n0.010336 0.010336 0.251508 O\n0.348336 0.348336 0.400995 O\n0.651664 0.651664 0.599005 O\n0.489664 0.489664 0.751508 O\n0.151664 0.151664 0.900995 O\n0.989664 0.989664 0.748492 O\n0.723207 0.472566 0.081832 O\n0.527434 0.276793 0.918168 O\n0.707438 0.453693 0.419611 O\n0.546307 0.292562 0.580389 O\n0.384134 0.119983 0.258095 O\n0.380017 0.115866 0.758095 O\n0.884134 0.619983 0.241905 O\n0.880017 0.615866 0.741905 O\n0.598652 0.105842 0.409021 O\n0.894158 0.401348 0.590979 O\n0.778137 0.278137 0.250000 O\n0.721863 0.221863 0.750000 O\n0.605842 0.098652 0.090979 O\n0.901348 0.394158 0.909021 O\n0.953693 0.207438 0.080389 O\n0.792562 0.046307 0.919611 O\n0.972566 0.223207 0.418168 O\n0.776793 0.027434 0.581832 O\n",
            "nsites": 70,
            "nelements": 2,
            "elements": [
                "Ti",
                "O"
            ],
            "chemical_system": "O-Ti",
            "density": 3.8974365122341683,
            "density_atomic": 0.08431873936017792,
            "volume": 830.1831897769054,
            "volume_molar": 7.142114322031881,
            "formula_full": "Ti26 O44",
            "formula_reduced": "Ti13O22",
            "formula_anonymous": "A13B22",
            "energy": -659.59189049,
            "energy_per_atom": -9.422741292714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -629.3638904900001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0023296,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:19.855000Z",
            "spacegroup": 64
        },
        {
            "id": "mp-1198754",
            "created_at": "2022-09-04T14:43:36.732355Z",
            "structure_string": "Zn4 Sn4 P56\n1.0\n9.873804 0.000000 0.000000\n0.000000 10.634851 0.000000\n0.000000 0.000000 12.860203\nZn Sn P\n4 4 56\ndirect\n0.250000 0.495742 0.678649 Zn\n0.250000 0.004258 0.178649 Zn\n0.750000 0.504258 0.321351 Zn\n0.750000 0.995742 0.821351 Zn\n0.250000 0.901642 0.829020 Sn\n0.250000 0.598358 0.329020 Sn\n0.750000 0.098358 0.170980 Sn\n0.750000 0.401642 0.670980 Sn\n0.250000 0.656546 0.535041 P\n0.250000 0.843454 0.035041 P\n0.750000 0.343454 0.464959 P\n0.750000 0.156546 0.964959 P\n0.250000 0.280141 0.943816 P\n0.250000 0.219859 0.443817 P\n0.750000 0.719859 0.056184 P\n0.750000 0.780141 0.556184 P\n0.250000 0.097112 0.585423 P\n0.250000 0.402888 0.085423 P\n0.750000 0.902888 0.414577 P\n0.750000 0.597112 0.914577 P\n0.250000 0.644043 0.825182 P\n0.250000 0.855957 0.325182 P\n0.750000 0.355957 0.174818 P\n0.750000 0.144043 0.674818 P\n0.077472 0.149742 0.970608 P\n0.422528 0.350258 0.470608 P\n0.577472 0.850258 0.029392 P\n0.922528 0.649742 0.529392 P\n0.922528 0.850258 0.029392 P\n0.577472 0.649742 0.529392 P\n0.422528 0.149742 0.970608 P\n0.077472 0.350258 0.470608 P\n0.082737 0.790091 0.567835 P\n0.417263 0.709909 0.067835 P\n0.582737 0.209909 0.432165 P\n0.917263 0.290091 0.932165 P\n0.917263 0.209909 0.432165 P\n0.582737 0.290091 0.932165 P\n0.417263 0.790091 0.567835 P\n0.082737 0.709909 0.067835 P\n0.079468 0.581051 0.924756 P\n0.420532 0.918949 0.424756 P\n0.579468 0.418949 0.075244 P\n0.920532 0.081051 0.575244 P\n0.920532 0.418949 0.075244 P\n0.579468 0.081051 0.575244 P\n0.420532 0.581051 0.924756 P\n0.079468 0.918949 0.424756 P\n0.076732 0.166283 0.679446 P\n0.423268 0.333717 0.179446 P\n0.576732 0.833717 0.320554 P\n0.923268 0.666283 0.820554 P\n0.923268 0.833717 0.320554 P\n0.576732 0.666283 0.820554 P\n0.423268 0.166283 0.679446 P\n0.076732 0.333717 0.179446 P\n0.050667 0.366732 0.640335 P\n0.449333 0.133268 0.140335 P\n0.550667 0.633268 0.359665 P\n0.949333 0.866732 0.859665 P\n0.949333 0.633268 0.359665 P\n0.550667 0.866732 0.859665 P\n0.449333 0.366732 0.640335 P\n0.050667 0.133268 0.140335 P\n",
            "nsites": 64,
            "nelements": 3,
            "elements": [
                "Zn",
                "Sn",
                "P"
            ],
            "chemical_system": "P-Sn-Zn",
            "density": 3.038500274303437,
            "density_atomic": 0.047393222371621094,
            "volume": 1350.404061959775,
            "volume_molar": 12.706755224996135,
            "formula_full": "Zn4 Sn4 P56",
            "formula_reduced": "ZnSnP14",
            "formula_anonymous": "ABC14",
            "energy": -327.25131322,
            "energy_per_atom": -5.1133017690625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -327.25131322,
            "band_gap": 1.1930000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001779,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:21.602000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1102041",
            "created_at": "2022-09-04T14:43:36.789793Z",
            "structure_string": "Ta4 Ni4 P4\n1.0\n3.590386 0.000000 0.000000\n0.000000 6.109794 0.000000\n0.000000 0.000000 7.115476\nTa Ni P\n4 4 4\ndirect\n0.250000 0.023553 0.832858 Ta\n0.250000 0.523553 0.667142 Ta\n0.750000 0.976447 0.167142 Ta\n0.750000 0.476447 0.332858 Ta\n0.250000 0.147070 0.432808 Ni\n0.250000 0.647070 0.067192 Ni\n0.750000 0.852930 0.567192 Ni\n0.750000 0.352930 0.932808 Ni\n0.250000 0.278994 0.125009 P\n0.250000 0.778994 0.374991 P\n0.750000 0.721006 0.874991 P\n0.750000 0.221006 0.625009 P\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ta",
                "Ni",
                "P"
            ],
            "chemical_system": "Ni-P-Ta",
            "density": 11.515673796523114,
            "density_atomic": 0.07687932798599346,
            "volume": 156.08877333301174,
            "volume_molar": 7.833238033892759,
            "formula_full": "Ta4 Ni4 P4",
            "formula_reduced": "TaNiP",
            "formula_anonymous": "ABC",
            "energy": -101.27658302,
            "energy_per_atom": -8.439715251666668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -101.27658302,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0019571,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:15.915000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-772974",
            "created_at": "2022-09-04T14:43:36.736451Z",
            "structure_string": "Li8 U4 W8 O40\n1.0\n7.882908 0.000000 -0.000883\n0.000000 13.070818 0.000000\n-0.001244 0.000000 7.616363\nLi U W O\n8 4 8 40\ndirect\n0.313718 0.006842 0.998697 Li\n0.313718 0.993158 0.498697 Li\n0.499892 0.986694 0.249966 Li\n0.499892 0.013306 0.749966 Li\n0.686193 0.007481 0.501171 Li\n0.686193 0.992519 0.001171 Li\n0.857171 0.495263 0.986952 Li\n0.857171 0.504737 0.486952 Li\n0.999879 0.018376 0.249953 U\n0.999879 0.981624 0.749953 U\n0.492397 0.520871 0.247570 U\n0.492397 0.479129 0.747570 U\n0.025142 0.255934 0.000382 W\n0.025142 0.744066 0.500382 W\n0.476167 0.243284 0.498983 W\n0.476167 0.756716 0.998983 W\n0.523966 0.243383 0.999835 W\n0.523966 0.756617 0.499835 W\n0.976595 0.256256 0.498391 W\n0.976595 0.743744 0.998391 W\n0.000721 0.203929 0.249760 O\n0.001563 0.260599 0.749425 O\n0.001563 0.739401 0.249425 O\n0.000721 0.796071 0.749760 O\n0.004499 0.093149 0.970170 O\n0.004499 0.906851 0.470170 O\n0.997814 0.386143 0.049198 O\n0.997814 0.613857 0.549198 O\n0.243370 0.018229 0.249684 O\n0.243370 0.981771 0.749684 O\n0.242269 0.243858 0.498207 O\n0.242269 0.756142 0.998207 O\n0.258539 0.245088 0.000874 O\n0.258539 0.754912 0.500874 O\n0.264736 0.525381 0.248248 O\n0.264736 0.474619 0.748248 O\n0.495159 0.101873 0.540583 O\n0.495159 0.898127 0.040583 O\n0.497583 0.394853 0.468098 O\n0.497583 0.605147 0.968098 O\n0.500958 0.228393 0.249520 O\n0.498839 0.718367 0.249119 O\n0.500958 0.771607 0.749520 O\n0.498839 0.281633 0.749119 O\n0.504971 0.395613 0.028487 O\n0.504971 0.604387 0.528487 O\n0.502699 0.102120 0.958274 O\n0.502699 0.897880 0.458274 O\n0.727738 0.478710 0.746702 O\n0.727738 0.521290 0.246702 O\n0.742867 0.241406 0.501879 O\n0.742867 0.758594 0.001879 O\n0.756870 0.242792 0.998885 O\n0.756870 0.757208 0.498885 O\n0.756377 0.018214 0.250033 O\n0.756377 0.981786 0.750033 O\n0.988369 0.387259 0.448760 O\n0.988369 0.612741 0.948760 O\n0.995435 0.091545 0.528693 O\n0.995435 0.908455 0.028693 O\n",
            "nsites": 60,
            "nelements": 4,
            "elements": [
                "Li",
                "U",
                "W",
                "O"
            ],
            "chemical_system": "Li-O-U-W",
            "density": 6.598354746361507,
            "density_atomic": 0.07645649736999478,
            "volume": 784.7599885414957,
            "volume_molar": 7.8765585230214565,
            "formula_full": "Li8 U4 W8 O40",
            "formula_reduced": "Li2U(WO5)2",
            "formula_anonymous": "AB2C2D10",
            "energy": -518.3079546600001,
            "energy_per_atom": -8.638465911,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -455.32395466,
            "band_gap": 0.8633,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0025707,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.486000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-13961",
            "created_at": "2022-09-04T14:43:36.740390Z",
            "structure_string": "Nd4 As8\n1.0\n6.911852 0.000000 0.000000\n0.000000 4.144226 0.000000\n0.000000 3.069484 10.163805\nNd As\n4 8\ndirect\n0.812576 0.089726 0.640327 Nd\n0.312576 0.910274 0.859673 Nd\n0.187424 0.910274 0.359673 Nd\n0.687424 0.089726 0.140327 Nd\n0.876997 0.729308 0.950298 As\n0.376997 0.270692 0.549702 As\n0.123003 0.270692 0.049702 As\n0.623003 0.729308 0.450298 As\n0.355953 0.538443 0.171177 As\n0.855953 0.461557 0.328823 As\n0.644047 0.461557 0.828823 As\n0.144047 0.538443 0.671177 As\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Nd",
                "As"
            ],
            "chemical_system": "As-Nd",
            "density": 6.7094677884674665,
            "density_atomic": 0.04121801382130098,
            "volume": 291.13484342126503,
            "volume_molar": 14.610458393528484,
            "formula_full": "Nd4 As8",
            "formula_reduced": "NdAs2",
            "formula_anonymous": "AB2",
            "energy": -68.20912253,
            "energy_per_atom": -5.684093544166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.20912253,
            "band_gap": 0.0394000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010924,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:17.560000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1037731",
            "created_at": "2022-09-04T14:43:36.744771Z",
            "structure_string": "Y1 Mg30 Sn1 O32\n1.0\n8.690328 0.000000 0.000000\n0.000000 8.690328 0.000000\n0.000000 0.000000 8.682774\nY Mg Sn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252614 0.252614 0.000000 Mg\n0.747386 0.252614 0.000000 Mg\n0.252614 0.747386 0.000000 Mg\n0.747386 0.747386 0.000000 Mg\n0.250706 0.250706 0.500000 Mg\n0.749294 0.250706 0.500000 Mg\n0.250706 0.749294 0.500000 Mg\n0.749294 0.749294 0.500000 Mg\n0.256161 0.000000 0.256677 Mg\n0.743839 0.000000 0.256677 Mg\n0.246924 0.500000 0.254974 Mg\n0.753076 0.500000 0.254974 Mg\n0.256161 0.000000 0.743323 Mg\n0.743839 0.000000 0.743323 Mg\n0.246924 0.500000 0.745026 Mg\n0.753076 0.500000 0.745026 Mg\n0.000000 0.256161 0.256677 Mg\n0.500000 0.246924 0.254974 Mg\n0.000000 0.743839 0.256677 Mg\n0.500000 0.753076 0.254974 Mg\n0.000000 0.256161 0.743323 Mg\n0.500000 0.246924 0.745026 Mg\n0.000000 0.743839 0.743323 Mg\n0.500000 0.753076 0.745026 Mg\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.258973 O\n0.500000 0.000000 0.254412 O\n0.000000 0.500000 0.254412 O\n0.500000 0.500000 0.271448 O\n0.000000 0.000000 0.741027 O\n0.500000 0.000000 0.745588 O\n0.000000 0.500000 0.745588 O\n0.500000 0.500000 0.728552 O\n0.250145 0.250145 0.248799 O\n0.749855 0.250145 0.248799 O\n0.250145 0.749855 0.248799 O\n0.749855 0.749855 0.248799 O\n0.250145 0.250145 0.751201 O\n0.749855 0.250145 0.751201 O\n0.250145 0.749855 0.751201 O\n0.749855 0.749855 0.751201 O\n0.256509 0.000000 0.000000 O\n0.743491 0.000000 0.000000 O\n0.229029 0.500000 0.000000 O\n0.770971 0.500000 0.000000 O\n0.250751 0.000000 0.500000 O\n0.749249 0.000000 0.500000 O\n0.246536 0.500000 0.500000 O\n0.753464 0.500000 0.500000 O\n0.000000 0.256509 0.000000 O\n0.500000 0.229029 0.000000 O\n0.000000 0.743491 0.000000 O\n0.500000 0.770971 0.000000 O\n0.000000 0.250751 0.500000 O\n0.500000 0.246536 0.500000 O\n0.000000 0.749249 0.500000 O\n0.500000 0.753464 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Y",
                "Mg",
                "Sn",
                "O"
            ],
            "chemical_system": "Mg-O-Sn-Y",
            "density": 3.66868740145822,
            "density_atomic": 0.09759984773003073,
            "volume": 655.7387279643028,
            "volume_molar": 6.170235814975594,
            "formula_full": "Y1 Mg30 Sn1 O32",
            "formula_reduced": "YMg30SnO32",
            "formula_anonymous": "ABC30D32",
            "energy": -404.12738213,
            "energy_per_atom": -6.31449034578125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -382.14338213,
            "band_gap": 0.2136999999999993,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0017483,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:19.121000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1192424",
            "created_at": "2022-09-04T14:43:36.748656Z",
            "structure_string": "Sr4 Ga4 H20\n1.0\n4.723490 0.000000 0.000000\n0.000000 8.706211 0.000000\n0.000000 0.000000 8.868152\nSr Ga H\n4 4 20\ndirect\n0.750000 0.493766 0.318304 Sr\n0.250000 0.506234 0.681696 Sr\n0.250000 0.006234 0.818304 Sr\n0.750000 0.993766 0.181696 Sr\n0.750000 0.333476 0.915376 Ga\n0.250000 0.666524 0.084624 Ga\n0.250000 0.166524 0.415376 Ga\n0.750000 0.833476 0.584624 Ga\n0.024936 0.773841 0.670802 H\n0.524936 0.226159 0.329198 H\n0.524936 0.726159 0.170802 H\n0.024936 0.273841 0.829198 H\n0.750000 0.516363 0.901971 H\n0.250000 0.483637 0.098029 H\n0.250000 0.983637 0.401971 H\n0.750000 0.016363 0.598029 H\n0.750000 0.481519 0.587260 H\n0.250000 0.518481 0.412740 H\n0.250000 0.018481 0.087260 H\n0.750000 0.981519 0.912740 H\n0.975064 0.726159 0.170802 H\n0.475064 0.273841 0.829198 H\n0.475064 0.773841 0.670802 H\n0.975064 0.226159 0.329198 H\n0.750000 0.282724 0.088915 H\n0.250000 0.717276 0.911085 H\n0.250000 0.217276 0.588915 H\n0.750000 0.782724 0.411085 H\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Sr",
                "Ga",
                "H"
            ],
            "chemical_system": "Ga-H-Sr",
            "density": 2.957491670934834,
            "density_atomic": 0.07677727862350145,
            "volume": 364.6912276912772,
            "volume_molar": 7.843649668193148,
            "formula_full": "Sr4 Ga4 H20",
            "formula_reduced": "SrGaH5",
            "formula_anonymous": "ABC5",
            "energy": -96.26320697,
            "energy_per_atom": -3.4379716774999998,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.68320697,
            "band_gap": 3.3941000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012924,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:18.714000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-996162",
            "created_at": "2022-09-04T14:43:36.753636Z",
            "structure_string": "Nb4 Al2 C2\n1.0\n1.567208 -2.714485 0.000000\n1.567208 2.714485 0.000000\n0.000000 0.000000 13.899194\nNb Al C\n4 2 2\ndirect\n0.333333 0.666667 0.410905 Nb\n0.666667 0.333333 0.589095 Nb\n0.666667 0.333333 0.910905 Nb\n0.333333 0.666667 0.089095 Nb\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Nb",
                "Al",
                "C"
            ],
            "chemical_system": "Al-C-Nb",
            "density": 6.313226319595051,
            "density_atomic": 0.06764820675028665,
            "volume": 118.25886278894008,
            "volume_molar": 8.902143972906542,
            "formula_full": "Nb4 Al2 C2",
            "formula_reduced": "Nb2AlC",
            "formula_anonymous": "ABC2",
            "energy": -70.39404902,
            "energy_per_atom": -8.7992561275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.39404902,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.53e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:20.643000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-20311",
            "created_at": "2022-09-04T14:43:37.149890Z",
            "structure_string": "Fe2 Se2\n1.0\n3.688905 0.000000 0.000000\n0.000000 3.688905 0.000000\n0.000000 0.000000 5.854194\nFe Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.764815 Se\n0.500000 0.000000 0.235185 Se\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Fe",
                "Se"
            ],
            "chemical_system": "Fe-Se",
            "density": 5.619828229873189,
            "density_atomic": 0.05021089226514377,
            "volume": 79.66398961559156,
            "volume_molar": 11.993693974206767,
            "formula_full": "Fe2 Se2",
            "formula_reduced": "FeSe",
            "formula_anonymous": "AB",
            "energy": -25.96349237,
            "energy_per_atom": -6.4908730925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.01949237,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.91e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:14.140000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-10152",
            "created_at": "2022-09-04T14:43:36.765890Z",
            "structure_string": "La2 Si4 Ir4\n1.0\n4.212803 0.000000 0.000000\n0.000000 4.212803 0.000000\n0.000000 0.000000 10.061702\nLa Si Ir\n2 4 4\ndirect\n0.500000 0.000000 0.257156 La\n0.000000 0.500000 0.742844 La\n0.000000 0.500000 0.127781 Si\n0.500000 0.000000 0.872219 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.372995 Ir\n0.500000 0.000000 0.627005 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "La",
                "Si",
                "Ir"
            ],
            "chemical_system": "Ir-La-Si",
            "density": 10.777713314726839,
            "density_atomic": 0.055999770525837905,
            "volume": 178.57216031601538,
            "volume_molar": 10.753866852403307,
            "formula_full": "La2 Si4 Ir4",
            "formula_reduced": "La(SiIr)2",
            "formula_anonymous": "AB2C2",
            "energy": -77.05951508,
            "energy_per_atom": -7.705951508,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -77.34351508,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014273,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:22.582000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-3267",
            "created_at": "2022-09-04T14:43:36.898633Z",
            "structure_string": "Tl4 Sb20 S32\n1.0\n19.675966 0.000000 0.000000\n0.000000 8.564015 0.000000\n0.000000 8.523453 9.185231\nTl Sb S\n4 20 32\ndirect\n0.450810 0.009299 0.998391 Tl\n0.549190 0.009299 0.498391 Tl\n0.052143 0.081463 0.726946 Tl\n0.947857 0.081463 0.226946 Tl\n0.286165 0.215113 0.544046 Sb\n0.713835 0.215113 0.044046 Sb\n0.458068 0.582253 0.447020 Sb\n0.541932 0.582253 0.947020 Sb\n0.215202 0.387805 0.735064 Sb\n0.784798 0.387805 0.235064 Sb\n0.264499 0.812908 0.984409 Sb\n0.735501 0.812908 0.484409 Sb\n0.369045 0.643010 0.790954 Sb\n0.630955 0.643010 0.290954 Sb\n0.129334 0.013985 0.463216 Sb\n0.870666 0.013985 0.963216 Sb\n0.043771 0.579969 0.191731 Sb\n0.956229 0.579969 0.691731 Sb\n0.154022 0.404832 0.029126 Sb\n0.845978 0.404832 0.529126 Sb\n0.229426 0.803470 0.292035 Sb\n0.770574 0.803470 0.792035 Sb\n0.350313 0.157838 0.265327 Sb\n0.649687 0.157838 0.765327 Sb\n0.277513 0.827254 0.463817 S\n0.722487 0.827254 0.963817 S\n0.229048 0.781728 0.812429 S\n0.770952 0.781728 0.312429 S\n0.197688 0.446089 0.194702 S\n0.802312 0.446089 0.694702 S\n0.404401 0.606943 0.995171 S\n0.595599 0.606943 0.495171 S\n0.492476 0.547747 0.781680 S\n0.507524 0.547747 0.281680 S\n0.017038 0.198735 0.412686 S\n0.982962 0.198735 0.912686 S\n0.083591 0.650479 0.683327 S\n0.916409 0.650479 0.183327 S\n0.037028 0.562554 0.004259 S\n0.962972 0.562554 0.504259 S\n0.292224 0.171247 0.083599 S\n0.707776 0.171247 0.583599 S\n0.111825 0.007487 0.270315 S\n0.888175 0.007487 0.770315 S\n0.167836 0.429116 0.536644 S\n0.832164 0.429116 0.036644 S\n0.340754 0.573280 0.333929 S\n0.659246 0.573280 0.833929 S\n0.459590 0.980944 0.285533 S\n0.540410 0.980944 0.785533 S\n0.323424 0.215519 0.736988 S\n0.676576 0.215519 0.236988 S\n0.397689 0.026280 0.581169 S\n0.602311 0.026280 0.081169 S\n0.162937 0.029752 0.947787 S\n0.837063 0.029752 0.447787 S\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Tl",
                "Sb",
                "S"
            ],
            "chemical_system": "S-Sb-Tl",
            "density": 4.590593725824713,
            "density_atomic": 0.03618132452037869,
            "volume": 1547.759810961555,
            "volume_molar": 16.644334721931205,
            "formula_full": "Tl4 Sb20 S32",
            "formula_reduced": "TlSb5S8",
            "formula_anonymous": "AB5C8",
            "energy": -255.58953516,
            "energy_per_atom": -4.564098842142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -239.49353516,
            "band_gap": 1.4316000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0093716,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:19.666000Z",
            "spacegroup": 7
        }
    ]
}