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=-energy&page=1750",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=1748",
"results": [
{
"id": "mp-1209825",
"created_at": "2022-09-04T14:40:06.822719Z",
"structure_string": "Nd3 Mg3 Ag3\n1.0\n3.928043 -6.803570 0.000000\n3.928043 6.803570 0.000000\n0.000000 0.000000 4.267442\nNd Mg Ag\n3 3 3\ndirect\n0.587413 0.000000 0.000000 Nd\n0.000000 0.587413 0.000000 Nd\n0.412587 0.412587 0.000000 Nd\n0.243957 0.000000 0.500000 Mg\n0.000000 0.243957 0.500000 Mg\n0.756043 0.756043 0.500000 Mg\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Nd",
"density": 6.037005334366603,
"density_atomic": 0.03945770265707924,
"volume": 228.09234684080826,
"volume_molar": 15.262269099489874,
"formula_full": "Nd3 Mg3 Ag3",
"formula_reduced": "NdMgAg",
"formula_anonymous": "ABC",
"energy": -29.95301223,
"energy_per_atom": -3.3281124699999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95301223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0613078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.797000Z",
"spacegroup": 189
},
{
"id": "mp-10781",
"created_at": "2022-09-04T14:39:32.690017Z",
"structure_string": "Rb1 Gd1 Se2\n1.0\n8.087392 -2.148462 0.000000\n8.087392 2.148462 0.000000\n7.516641 0.000000 3.677215\nRb Gd Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Gd\n0.232093 0.232093 0.232093 Se\n0.767907 0.767907 0.767907 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Gd",
"Se"
],
"chemical_system": "Gd-Rb-Se",
"density": 5.206139852600139,
"density_atomic": 0.03130219566844498,
"volume": 127.78656303756696,
"volume_molar": 19.238716746221037,
"formula_full": "Rb1 Gd1 Se2",
"formula_reduced": "RbGdSe2",
"formula_anonymous": "ABC2",
"energy": -29.95344135,
"energy_per_atom": -7.4883603375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.00944135,
"band_gap": 1.0338999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7788757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.691000Z",
"spacegroup": 166
},
{
"id": "mp-3022",
"created_at": "2022-09-04T14:46:55.097568Z",
"structure_string": "Tb1 B1 Pd3\n1.0\n4.327708 0.000000 0.000000\n0.000000 4.327708 0.000000\n0.000000 0.000000 4.327708\nTb B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"B",
"Pd"
],
"chemical_system": "B-Pd-Tb",
"density": 10.017996233431402,
"density_atomic": 0.06168735561290223,
"volume": 81.0538877914589,
"volume_molar": 9.762358428508222,
"formula_full": "Tb1 B1 Pd3",
"formula_reduced": "TbBPd3",
"formula_anonymous": "ABC3",
"energy": -29.9543884,
"energy_per_atom": -5.99087768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.9543884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.349000Z",
"spacegroup": 221
},
{
"id": "mp-22713",
"created_at": "2022-09-04T14:39:21.705511Z",
"structure_string": "Ce2 Ni2 Sn1\n1.0\n-2.179614 2.905212 4.062053\n2.179614 -2.905212 4.062053\n2.179614 2.905212 -4.062053\nCe Ni Sn\n2 2 1\ndirect\n0.701854 0.201854 0.500000 Ce\n0.298146 0.798146 0.500000 Ce\n0.288363 0.500000 0.788363 Ni\n0.711637 0.500000 0.211637 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Sn"
],
"chemical_system": "Ce-Ni-Sn",
"density": 8.333212418363017,
"density_atomic": 0.04859672575276116,
"volume": 102.88759011127227,
"volume_molar": 12.392071002145313,
"formula_full": "Ce2 Ni2 Sn1",
"formula_reduced": "Ce2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy": -29.95533015,
"energy_per_atom": -5.991066030000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95533015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5139613,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.795000Z",
"spacegroup": 71
},
{
"id": "mp-1185620",
"created_at": "2022-09-04T14:46:17.433476Z",
"structure_string": "Mg1 V1 Ru2\n1.0\n0.000000 3.044703 3.044703\n3.044703 0.000000 3.044703\n3.044703 3.044703 0.000000\nMg V Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"V",
"Ru"
],
"chemical_system": "Mg-Ru-V",
"density": 8.159614050636673,
"density_atomic": 0.0708590279298942,
"volume": 56.450111112976046,
"volume_molar": 8.498762875999551,
"formula_full": "Mg1 V1 Ru2",
"formula_reduced": "MgVRu2",
"formula_anonymous": "ABC2",
"energy": -29.95535304,
"energy_per_atom": -7.48883826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95535304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.447000Z",
"spacegroup": 225
},
{
"id": "mp-9312",
"created_at": "2022-09-04T14:47:58.280873Z",
"structure_string": "Pr1 Ni1 C2\n1.0\n2.277028 -3.064060 0.000000\n2.277028 3.064060 0.000000\n0.000000 0.000000 3.896824\nPr Ni C\n1 1 2\ndirect\n0.998054 0.001946 0.000000 Pr\n0.384684 0.615316 0.500000 Ni\n0.546398 0.154136 0.500000 C\n0.845864 0.453602 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"C"
],
"chemical_system": "C-Ni-Pr",
"density": 6.829015136929773,
"density_atomic": 0.07356200671439525,
"volume": 54.37589563767631,
"volume_molar": 8.186482437028916,
"formula_full": "Pr1 Ni1 C2",
"formula_reduced": "PrNiC2",
"formula_anonymous": "ABC2",
"energy": -29.95702183,
"energy_per_atom": -7.4892554575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95702183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002836,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.267000Z",
"spacegroup": 38
},
{
"id": "mp-20137",
"created_at": "2022-09-04T14:45:39.683173Z",
"structure_string": "Dy1 Ge2 Pt2\n1.0\n-2.192855 2.192855 4.930304\n2.192855 -2.192855 4.930304\n2.192855 2.192855 -4.930304\nDy Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.624414 0.624414 0.000000 Ge\n0.375586 0.375586 0.000000 Ge\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Pt"
],
"chemical_system": "Dy-Ge-Pt",
"density": 12.221334865059841,
"density_atomic": 0.052724987289826795,
"volume": 94.83169663968306,
"volume_molar": 11.421796513475808,
"formula_full": "Dy1 Ge2 Pt2",
"formula_reduced": "Dy(GePt)2",
"formula_anonymous": "AB2C2",
"energy": -29.95704367,
"energy_per_atom": -5.991408734,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95704367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006301,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.520000Z",
"spacegroup": 139
},
{
"id": "mp-989189",
"created_at": "2022-09-04T14:44:49.328600Z",
"structure_string": "Sb2 Br2 O2\n1.0\n3.835336 0.000000 0.000000\n0.000000 3.835336 0.000000\n0.000000 0.000000 8.770402\nSb Br O\n2 2 2\ndirect\n0.000000 0.500000 0.859768 Sb\n0.500000 0.000000 0.140232 Sb\n0.500000 0.000000 0.678768 Br\n0.000000 0.500000 0.321232 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.603226364882284,
"density_atomic": 0.04650770578488424,
"volume": 129.01087892299554,
"volume_molar": 12.94869454075994,
"formula_full": "Sb2 Br2 O2",
"formula_reduced": "SbBrO",
"formula_anonymous": "ABC",
"energy": -29.957187250000004,
"energy_per_atom": -4.992864541666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.515187250000004,
"band_gap": 1.6021,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.469000Z",
"spacegroup": 129
},
{
"id": "mp-865381",
"created_at": "2022-09-04T14:48:18.686633Z",
"structure_string": "Tm2 Ir1 Ru1\n1.0\n0.000000 3.370356 3.370356\n3.370356 0.000000 3.370356\n3.370356 3.370356 0.000000\nTm Ir Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Tm",
"density": 13.687624690827963,
"density_atomic": 0.05223993962482528,
"volume": 76.56976690109217,
"volume_molar": 11.527847855969151,
"formula_full": "Tm2 Ir1 Ru1",
"formula_reduced": "Tm2IrRu",
"formula_anonymous": "ABC2",
"energy": -29.9587485,
"energy_per_atom": -7.489687125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.9587485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.230000Z",
"spacegroup": 225
},
{
"id": "mp-1183698",
"created_at": "2022-09-04T14:42:43.145847Z",
"structure_string": "Co3 Ir1\n1.0\n3.582561 0.000000 0.000000\n0.000000 3.582561 0.000000\n0.000000 0.000000 3.582561\nCo Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"Ir"
],
"chemical_system": "Co-Ir",
"density": 13.326441629423543,
"density_atomic": 0.08699197880230376,
"volume": 45.98125085866043,
"volume_molar": 6.9226391247931,
"formula_full": "Co3 Ir1",
"formula_reduced": "Co3Ir",
"formula_anonymous": "AB3",
"energy": -29.95997019,
"energy_per_atom": -7.4899925475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.95997019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1302143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.191000Z",
"spacegroup": 221
},
{
"id": "mp-1205533",
"created_at": "2022-09-04T14:47:57.012465Z",
"structure_string": "Tl2 Sn2 I6\n1.0\n2.324221 -7.600337 0.000000\n2.324221 7.600337 0.000000\n0.000000 0.000000 11.920353\nTl Sn I\n2 2 6\ndirect\n0.245999 0.754001 0.250000 Tl\n0.754001 0.245999 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.639584 0.360416 0.056029 I\n0.360416 0.639584 0.943971 I\n0.360416 0.639584 0.556029 I\n0.639584 0.360416 0.443971 I\n0.921083 0.078917 0.250000 I\n0.078917 0.921083 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"I"
],
"chemical_system": "I-Sn-Tl",
"density": 5.550129465083955,
"density_atomic": 0.02374491491173023,
"volume": 421.1428020346326,
"volume_molar": 25.36181233913372,
"formula_full": "Tl2 Sn2 I6",
"formula_reduced": "TlSnI3",
"formula_anonymous": "ABC3",
"energy": -29.96075997,
"energy_per_atom": -2.996075997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.68675997,
"band_gap": 1.8624,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.596000Z",
"spacegroup": 63
},
{
"id": "mp-1028057",
"created_at": "2022-09-04T14:46:00.455522Z",
"structure_string": "Ba1 Y1 Mg14\n1.0\n6.752927 0.000000 -0.000000\n-3.376464 5.848206 0.000000\n-0.000000 -0.000000 10.509561\nBa Y Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Y\n0.172079 0.836039 0.125000 Mg\n0.178443 0.839221 0.625000 Mg\n0.663961 0.327921 0.125000 Mg\n0.660779 0.321557 0.625000 Mg\n0.663961 0.836039 0.125000 Mg\n0.660779 0.839221 0.625000 Mg\n0.341787 0.158213 0.367258 Mg\n0.341787 0.158213 0.882742 Mg\n0.341787 0.683575 0.367258 Mg\n0.341787 0.683575 0.882742 Mg\n0.816425 0.158213 0.367258 Mg\n0.816425 0.158213 0.882742 Mg\n0.833333 0.666667 0.377215 Mg\n0.833333 0.666667 0.872785 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Mg"
],
"chemical_system": "Ba-Mg-Y",
"density": 2.2664800688795874,
"density_atomic": 0.03854967228283267,
"volume": 415.04892395999127,
"volume_molar": 15.621769014835024,
"formula_full": "Ba1 Y1 Mg14",
"formula_reduced": "BaYMg14",
"formula_anonymous": "ABC14",
"energy": -29.96191241,
"energy_per_atom": -1.872619525625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.96191241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.772000Z",
"spacegroup": 187
}
]
}