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=162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=160",
"results": [
{
"id": "mp-1218201",
"created_at": "2022-09-04T14:39:46.451139Z",
"structure_string": "Sr1 Mg2 Ga2 N4\n1.0\n0.000000 0.000000 3.367221\n-4.187842 4.184980 1.683610\n-4.217611 -4.214847 -1.683610\nSr Mg Ga N\n1 2 2 4\ndirect\n0.995055 0.009854 0.999964 Sr\n0.823206 0.541860 0.188273 Mg\n0.629922 0.193299 0.453143 Mg\n0.191503 0.443536 0.826543 Ga\n0.360024 0.828153 0.548200 Ga\n0.589391 0.636864 0.815645 N\n0.399914 0.345291 0.145119 N\n0.765885 0.836409 0.368178 N\n0.245100 0.164734 0.654935 N\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Ga",
"N"
],
"chemical_system": "Ga-Mg-N-Sr",
"density": 4.63372880748393,
"density_atomic": 0.07571377274711179,
"volume": 118.86872986848113,
"volume_molar": 7.953824702560107,
"formula_full": "Sr1 Mg2 Ga2 N4",
"formula_reduced": "SrMg2(GaN2)2",
"formula_anonymous": "AB2C2D4",
"energy": -51.49279951,
"energy_per_atom": -5.721422167777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.04879951000001,
"band_gap": 2.1265,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.774000Z",
"spacegroup": 8
},
{
"id": "mp-570751",
"created_at": "2022-09-04T14:39:39.026317Z",
"structure_string": "Nb6 Te2\n1.0\n5.302870 0.000000 0.000000\n0.000000 5.302870 0.000000\n0.000000 0.000000 5.302870\nNb Te\n6 2\ndirect\n0.500000 0.750000 0.000000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.500000 0.250000 Nb\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Te"
],
"chemical_system": "Nb-Te",
"density": 9.049267622748465,
"density_atomic": 0.05364843351256796,
"volume": 149.11898589034996,
"volume_molar": 11.225194037751766,
"formula_full": "Nb6 Te2",
"formula_reduced": "Nb3Te",
"formula_anonymous": "AB3",
"energy": -69.00057251999999,
"energy_per_atom": -8.625071564999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.15657252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.727000Z",
"spacegroup": 223
},
{
"id": "mp-22786",
"created_at": "2022-09-04T14:39:46.092861Z",
"structure_string": "Th1 Ni1 Sn1\n1.0\n0.000000 3.291550 3.291550\n3.291550 0.000000 3.291550\n3.291550 3.291550 0.000000\nTh Ni Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Th\n0.000000 0.000000 0.000000 Ni\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Th",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Th",
"density": 9.532560037308961,
"density_atomic": 0.04206199711748575,
"volume": 71.32328956279774,
"volume_molar": 14.317296307113564,
"formula_full": "Th1 Ni1 Sn1",
"formula_reduced": "ThNiSn",
"formula_anonymous": "ABC",
"energy": -19.27169882,
"energy_per_atom": -6.423899606666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.27169882,
"band_gap": 0.2675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.171000Z",
"spacegroup": 216
},
{
"id": "mp-1195360",
"created_at": "2022-09-04T14:39:46.102836Z",
"structure_string": "Tm2 H18 C10 N4 O16\n1.0\n-6.715058 0.000000 0.000000\n0.000000 0.000000 -8.531430\n3.357529 -9.131359 0.000000\nTm H C N O\n2 18 10 4 16\ndirect\n0.857828 0.750000 0.715657 Tm\n0.142172 0.250000 0.284343 Tm\n0.313167 0.750000 0.626334 H\n0.686833 0.250000 0.373666 H\n0.076427 0.440511 0.579603 H\n0.496823 0.559489 0.420397 H\n0.923573 0.940511 0.420397 H\n0.503177 0.059489 0.579603 H\n0.765664 0.000000 0.000000 H\n0.234336 0.500000 0.000000 H\n0.655221 0.750000 0.310441 H\n0.344779 0.250000 0.689559 H\n0.658522 0.670619 0.011439 H\n0.647083 0.329381 0.988561 H\n0.341478 0.170619 0.988561 H\n0.352917 0.829381 0.011439 H\n0.828678 0.601932 0.185629 H\n0.643048 0.398068 0.814371 H\n0.171322 0.101932 0.814371 H\n0.356952 0.898068 0.185629 H\n0.373807 0.750000 0.747614 C\n0.626193 0.250000 0.252386 C\n0.006135 0.524338 0.488550 C\n0.517584 0.475662 0.511450 C\n0.993865 0.024338 0.511450 C\n0.482416 0.975662 0.488550 C\n0.930398 0.000000 0.000000 C\n0.069602 0.500000 0.000000 C\n0.595296 0.750000 0.190592 C\n0.404704 0.250000 0.809408 C\n0.699100 0.666126 0.123448 N\n0.575652 0.333874 0.876552 N\n0.300900 0.166126 0.876552 N\n0.424348 0.833874 0.123448 N\n0.970428 0.925267 0.900326 O\n0.070102 0.074733 0.099674 O\n0.029572 0.425267 0.099674 O\n0.929898 0.574733 0.900326 O\n0.240052 0.734836 0.812623 O\n0.427428 0.265164 0.187377 O\n0.759948 0.234836 0.187377 O\n0.572572 0.765164 0.812623 O\n0.931699 0.652272 0.517016 O\n0.414683 0.347728 0.482984 O\n0.068301 0.152272 0.482984 O\n0.585317 0.847728 0.517016 O\n0.994949 0.984578 0.637271 O\n0.357678 0.015422 0.362729 O\n0.005051 0.484578 0.362729 O\n0.642322 0.515422 0.637271 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Tm",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Tm",
"density": 2.5017447209792056,
"density_atomic": 0.0955791110532215,
"volume": 523.1268574171861,
"volume_molar": 6.30068714140549,
"formula_full": "Tm2 H18 C10 N4 O16",
"formula_reduced": "TmH9C5(NO4)2",
"formula_anonymous": "AB2C5D8E9",
"energy": -338.12822459999995,
"energy_per_atom": -6.762564491999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -325.6922246,
"band_gap": 4.6228,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005865,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.106000Z",
"spacegroup": 20
},
{
"id": "mp-1101817",
"created_at": "2022-09-04T14:39:46.107577Z",
"structure_string": "Sm4 Ni4 Ge4\n1.0\n4.322442 0.000000 0.000000\n0.000000 7.128635 0.000000\n0.000000 0.000000 7.243721\nSm Ni Ge\n4 4 4\ndirect\n0.250000 0.485179 0.200650 Sm\n0.250000 0.985179 0.299350 Sm\n0.750000 0.514821 0.799350 Sm\n0.750000 0.014821 0.700650 Sm\n0.250000 0.178150 0.920895 Ni\n0.250000 0.678150 0.579105 Ni\n0.750000 0.821850 0.079105 Ni\n0.750000 0.321850 0.420895 Ni\n0.250000 0.306980 0.593334 Ge\n0.250000 0.806980 0.906666 Ge\n0.750000 0.693020 0.406666 Ge\n0.750000 0.193020 0.093334 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sm",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Sm",
"density": 8.38278818933672,
"density_atomic": 0.05376305989586218,
"volume": 223.2015815923373,
"volume_molar": 11.201261185030669,
"formula_full": "Sm4 Ni4 Ge4",
"formula_reduced": "SmNiGe",
"formula_anonymous": "ABC",
"energy": -69.33122646,
"energy_per_atom": -5.777602205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.33122646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.012000Z",
"spacegroup": 62
},
{
"id": "mp-1188762",
"created_at": "2022-09-04T14:39:39.030422Z",
"structure_string": "Ta4 Ni4 P8\n1.0\n3.347783 0.000000 0.000000\n0.000000 5.417137 0.000000\n0.000000 0.000000 12.150449\nTa Ni P\n4 4 8\ndirect\n0.250000 0.015296 0.829547 Ta\n0.250000 0.515296 0.670453 Ta\n0.750000 0.984704 0.170453 Ta\n0.750000 0.484704 0.329547 Ta\n0.250000 0.021728 0.585210 Ni\n0.250000 0.521728 0.914790 Ni\n0.750000 0.978272 0.414790 Ni\n0.750000 0.478272 0.085210 Ni\n0.250000 0.138410 0.309532 P\n0.250000 0.638410 0.190468 P\n0.750000 0.861590 0.690468 P\n0.750000 0.361590 0.809532 P\n0.250000 0.189986 0.035626 P\n0.250000 0.689986 0.464374 P\n0.750000 0.810014 0.964374 P\n0.750000 0.310014 0.535626 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"P"
],
"chemical_system": "Ni-P-Ta",
"density": 9.090857666249677,
"density_atomic": 0.07261068552690685,
"volume": 220.3532425550643,
"volume_molar": 8.293739022431371,
"formula_full": "Ta4 Ni4 P8",
"formula_reduced": "TaNiP2",
"formula_anonymous": "ABC2",
"energy": -124.98753717,
"energy_per_atom": -7.811721073125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.98753717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005043,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.347000Z",
"spacegroup": 62
},
{
"id": "mp-1203202",
"created_at": "2022-09-04T14:39:46.136660Z",
"structure_string": "Ru6 C18 Se4 O18\n1.0\n7.049511 0.000000 0.000000\n3.506168 9.158180 0.000000\n1.203739 1.442156 13.762432\nRu C Se O\n6 18 4 18\ndirect\n0.584302 0.696253 0.656748 Ru\n0.415698 0.303747 0.343252 Ru\n0.659343 0.767232 0.842618 Ru\n0.340657 0.232768 0.157382 Ru\n0.712825 0.399060 0.755184 Ru\n0.287175 0.600940 0.244816 Ru\n0.690187 0.592355 0.545852 C\n0.309813 0.407645 0.454148 C\n0.634485 0.873771 0.614862 C\n0.365515 0.126229 0.385138 C\n0.312041 0.773463 0.614344 C\n0.687959 0.226537 0.385656 C\n0.830548 0.883666 0.819979 C\n0.169452 0.116334 0.180021 C\n0.739800 0.688798 0.969947 C\n0.260200 0.311202 0.030053 C\n0.427445 0.930883 0.879068 C\n0.572555 0.069117 0.120932 C\n0.517852 0.311330 0.734534 C\n0.482148 0.688670 0.265466 C\n0.919129 0.269936 0.675059 C\n0.080871 0.730064 0.324941 C\n0.795268 0.288509 0.875129 C\n0.204732 0.711491 0.124871 C\n0.444236 0.617423 0.821132 Se\n0.555764 0.382577 0.178868 Se\n0.911502 0.569987 0.748665 Se\n0.088498 0.430013 0.251335 Se\n0.755743 0.533778 0.476232 O\n0.244257 0.466222 0.523768 O\n0.663895 0.981379 0.585461 O\n0.336105 0.018621 0.414539 O\n0.147062 0.819439 0.588122 O\n0.852938 0.180561 0.411878 O\n0.936760 0.951973 0.806520 O\n0.063240 0.048027 0.193480 O\n0.787616 0.636407 0.047979 O\n0.212384 0.363593 0.952021 O\n0.290864 0.030329 0.903021 O\n0.709136 0.969671 0.096979 O\n0.402377 0.255269 0.724020 O\n0.597623 0.744731 0.275980 O\n0.044495 0.192407 0.627410 O\n0.955505 0.807593 0.372590 O\n0.838640 0.225109 0.951218 O\n0.161360 0.774891 0.048782 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Ru",
"C",
"Se",
"O"
],
"chemical_system": "C-O-Ru-Se",
"density": 2.6658751133428833,
"density_atomic": 0.05177194460981664,
"volume": 888.5121149433857,
"volume_molar": 11.632054398161669,
"formula_full": "Ru6 C18 Se4 O18",
"formula_reduced": "Ru3C9Se2O9",
"formula_anonymous": "A2B3C9D9",
"energy": -369.92665810000005,
"energy_per_atom": -8.041883871739131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.6726581,
"band_gap": 2.2011000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008289,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.266000Z",
"spacegroup": 2
},
{
"id": "mp-28900",
"created_at": "2022-09-04T14:39:46.179829Z",
"structure_string": "Cd4 As6 Br2\n1.0\n4.825664 4.224108 0.000000\n-4.825664 4.224108 0.000000\n0.000000 1.586905 8.027336\nCd As Br\n4 6 2\ndirect\n0.388226 0.087003 0.208049 Cd\n0.912997 0.611774 0.291951 Cd\n0.087003 0.388226 0.708049 Cd\n0.611774 0.912997 0.791951 Cd\n0.174159 0.079673 0.528300 As\n0.920327 0.825841 0.971700 As\n0.825841 0.920327 0.471700 As\n0.790902 0.209098 0.250000 As\n0.209098 0.790902 0.750000 As\n0.079673 0.174159 0.028300 As\n0.361627 0.638373 0.250000 Br\n0.638373 0.361627 0.750000 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"As",
"Br"
],
"chemical_system": "As-Br-Cd",
"density": 5.373335788968476,
"density_atomic": 0.03666804161631862,
"volume": 327.2604554550184,
"volume_molar": 16.42340439943192,
"formula_full": "Cd4 As6 Br2",
"formula_reduced": "Cd2As3Br",
"formula_anonymous": "AB2C3",
"energy": -39.36643194,
"energy_per_atom": -3.2805359949999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.29843194,
"band_gap": 0.7736000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028027,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.422000Z",
"spacegroup": 15
},
{
"id": "mp-1215925",
"created_at": "2022-09-04T14:39:46.209433Z",
"structure_string": "Zr5 Se8\n1.0\n-2.054689 -3.561782 0.022527\n2.266410 -3.596510 -14.503422\n6.154150 -3.556234 -0.093778\nZr Se\n5 8\ndirect\n0.780001 0.437932 0.462674 Zr\n0.955474 0.092487 0.607375 Zr\n0.453082 0.094346 0.123998 Zr\n0.199935 0.604963 0.513972 Zr\n0.702536 0.603057 0.046372 Zr\n0.251804 0.498813 0.231198 Se\n0.739201 0.520308 0.746788 Se\n0.495093 0.007854 0.505231 Se\n0.989605 0.017529 0.983020 Se\n0.370641 0.257840 0.038648 Se\n0.866276 0.262259 0.537612 Se\n0.614518 0.766695 0.955480 Se\n0.115283 0.768916 0.447784 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 4.272777708014747,
"density_atomic": 0.030750734917789402,
"volume": 422.7541239178468,
"volume_molar": 19.58372954695197,
"formula_full": "Zr5 Se8",
"formula_reduced": "Zr5Se8",
"formula_anonymous": "A5B8",
"energy": -83.92146893,
"energy_per_atom": -6.45549761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.14546893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4834453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.593000Z",
"spacegroup": 8
},
{
"id": "mp-1206162",
"created_at": "2022-09-04T14:39:39.177999Z",
"structure_string": "Y2 Cl2 O1\n1.0\n4.184513 0.000000 0.000000\n0.000000 4.184513 0.000000\n0.000000 0.000000 12.714547\nY Cl O\n2 2 1\ndirect\n0.500000 0.500000 0.162466 Y\n0.500000 0.500000 0.837534 Y\n0.500000 0.500000 0.643909 Cl\n0.500000 0.500000 0.356091 Cl\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Cl",
"O"
],
"chemical_system": "Cl-O-Y",
"density": 1.974423718639199,
"density_atomic": 0.02245842364856088,
"volume": 222.63361303723542,
"volume_molar": 26.814619112352055,
"formula_full": "Y2 Cl2 O1",
"formula_reduced": "Y2Cl2O",
"formula_anonymous": "AB2C2",
"energy": -29.036404880000003,
"energy_per_atom": -5.807280976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.34940488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.512000Z",
"spacegroup": 123
},
{
"id": "mp-770927",
"created_at": "2022-09-04T14:39:37.949640Z",
"structure_string": "Sm12 Ta4 O28\n1.0\n7.597208 0.000000 0.000000\n0.000000 7.677838 0.000000\n0.000000 0.000000 10.839122\nSm Ta O\n12 4 28\ndirect\n0.012145 0.794208 0.250000 Sm\n0.251641 0.962405 0.521937 Sm\n0.251641 0.962405 0.978063 Sm\n0.248359 0.462405 0.021937 Sm\n0.248359 0.462405 0.478063 Sm\n0.487855 0.294208 0.750000 Sm\n0.512145 0.705792 0.250000 Sm\n0.751641 0.537595 0.521937 Sm\n0.751641 0.537595 0.978063 Sm\n0.748359 0.037595 0.021937 Sm\n0.748359 0.037595 0.478063 Sm\n0.987855 0.205792 0.750000 Sm\n0.998980 0.748797 0.750000 Ta\n0.501020 0.248797 0.250000 Ta\n0.498980 0.751203 0.750000 Ta\n0.001020 0.251203 0.250000 Ta\n0.034121 0.050458 0.126056 O\n0.034121 0.050458 0.373944 O\n0.039421 0.586576 0.614150 O\n0.039421 0.586576 0.885850 O\n0.247539 0.325352 0.250000 O\n0.255281 0.731012 0.116825 O\n0.255281 0.731012 0.383175 O\n0.244719 0.231012 0.616825 O\n0.244719 0.231012 0.883175 O\n0.252461 0.825352 0.750000 O\n0.460579 0.086576 0.114150 O\n0.460579 0.086576 0.385850 O\n0.465879 0.550458 0.626056 O\n0.465879 0.550458 0.873944 O\n0.534121 0.449542 0.126056 O\n0.534121 0.449542 0.373944 O\n0.539421 0.913424 0.614150 O\n0.539421 0.913424 0.885850 O\n0.747539 0.174648 0.250000 O\n0.755281 0.768988 0.116825 O\n0.755281 0.768988 0.383175 O\n0.744719 0.268988 0.616825 O\n0.744719 0.268988 0.883175 O\n0.752461 0.674648 0.750000 O\n0.960579 0.413424 0.114150 O\n0.960579 0.413424 0.385850 O\n0.965879 0.949542 0.626056 O\n0.965879 0.949542 0.873944 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Sm",
"Ta",
"O"
],
"chemical_system": "O-Sm-Ta",
"density": 7.816436084964177,
"density_atomic": 0.06959300838060828,
"volume": 632.2474200189968,
"volume_molar": 8.653370360230094,
"formula_full": "Sm12 Ta4 O28",
"formula_reduced": "Sm3TaO7",
"formula_anonymous": "AB3C7",
"energy": -409.41319675,
"energy_per_atom": -9.304845380681819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -390.17719675,
"band_gap": 3.4923999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.675000Z",
"spacegroup": 62
},
{
"id": "mp-10898",
"created_at": "2022-09-04T14:39:46.337989Z",
"structure_string": "Sc1 Al1 Ni2\n1.0\n0.000000 3.025580 3.025580\n3.025580 0.000000 3.025580\n3.025580 3.025580 0.000000\nSc Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Sc",
"density": 5.675438555046211,
"density_atomic": 0.07221111876944217,
"volume": 55.39313153105023,
"volume_molar": 8.339630880429471,
"formula_full": "Sc1 Al1 Ni2",
"formula_reduced": "ScAlNi2",
"formula_anonymous": "ABC2",
"energy": -24.14803838,
"energy_per_atom": -6.037009595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.14803838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.71e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.747000Z",
"spacegroup": 225
}
]
}