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=10229",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10227",
"results": [
{
"id": "mp-1219919",
"created_at": "2022-09-04T14:42:23.065661Z",
"structure_string": "Pr2 Cd1 Sb4\n1.0\n4.404663 0.000000 0.000000\n0.000000 4.404663 0.000000\n0.000000 0.000000 10.862510\nPr Cd Sb\n2 1 4\ndirect\n0.500000 0.000000 0.764366 Pr\n0.000000 0.500000 0.235634 Pr\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.328235 Sb\n0.000000 0.500000 0.671765 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Sb"
],
"chemical_system": "Cd-Pr-Sb",
"density": 6.943855881914449,
"density_atomic": 0.03321562879091784,
"volume": 210.7441663700797,
"volume_molar": 18.1304433461354,
"formula_full": "Pr2 Cd1 Sb4",
"formula_reduced": "Pr2CdSb4",
"formula_anonymous": "AB2C4",
"energy": -32.72958671,
"energy_per_atom": -4.675655244285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.96158671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.738000Z",
"spacegroup": 115
},
{
"id": "mp-10139",
"created_at": "2022-09-04T14:42:50.782257Z",
"structure_string": "Sc3 Sn1 B1\n1.0\n4.658549 0.000000 0.000000\n0.000000 4.658549 0.000000\n0.000000 0.000000 4.658549\nSc Sn B\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"Sn",
"B"
],
"chemical_system": "B-Sc-Sn",
"density": 4.342502152169774,
"density_atomic": 0.04945588759879431,
"volume": 101.10019742365104,
"volume_molar": 12.176792394980318,
"formula_full": "Sc3 Sn1 B1",
"formula_reduced": "Sc3SnB",
"formula_anonymous": "ABC3",
"energy": -32.72898362,
"energy_per_atom": -6.545796724000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.72898362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025938,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.967000Z",
"spacegroup": 221
},
{
"id": "mp-1027937",
"created_at": "2022-09-04T14:45:30.723241Z",
"structure_string": "Y1 Mg14 B1\n1.0\n6.384556 0.000000 0.000000\n-3.192278 5.529187 0.000000\n-0.000000 -0.000000 10.106343\nY Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.184003 0.842001 0.125000 Mg\n0.156476 0.828237 0.625000 Mg\n0.657999 0.315997 0.125000 Mg\n0.671763 0.343524 0.625000 Mg\n0.657999 0.842001 0.125000 Mg\n0.671763 0.828237 0.625000 Mg\n0.325363 0.174637 0.395767 Mg\n0.325363 0.174637 0.854233 Mg\n0.325363 0.650726 0.395767 Mg\n0.325363 0.650726 0.854233 Mg\n0.849274 0.174637 0.395767 Mg\n0.849274 0.174637 0.854233 Mg\n0.833333 0.666667 0.362534 Mg\n0.833333 0.666667 0.887466 Mg\n0.166667 0.333333 0.625000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"B"
],
"chemical_system": "B-Mg-Y",
"density": 2.047871875858324,
"density_atomic": 0.04484705922143246,
"volume": 356.7680975691174,
"volume_molar": 13.428173138991491,
"formula_full": "Y1 Mg14 B1",
"formula_reduced": "YMg14B",
"formula_anonymous": "ABC14",
"energy": -32.72708209,
"energy_per_atom": -2.045442630625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.72708209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.730000Z",
"spacegroup": 187
},
{
"id": "mp-1206771",
"created_at": "2022-09-04T14:39:42.728825Z",
"structure_string": "Pr2 Mn1 P2 O1\n1.0\n7.726121 0.000000 0.000000\n0.000000 7.726121 0.000000\n0.000000 0.000000 14.293597\nPr Mn P O\n2 1 2 1\ndirect\n0.500000 0.500000 0.655360 Pr\n0.500000 0.500000 0.344640 Pr\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.164685 P\n0.500000 0.500000 0.835315 P\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Pr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Pr",
"density": 0.807084246636637,
"density_atomic": 0.007032127013311429,
"volume": 853.2269096736067,
"volume_molar": 85.63754250457109,
"formula_full": "Pr2 Mn1 P2 O1",
"formula_reduced": "Pr2MnP2O",
"formula_anonymous": "ABC2D2",
"energy": -32.72696121,
"energy_per_atom": -5.454493535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.37196121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9146621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.269000Z",
"spacegroup": 123
},
{
"id": "mp-27832",
"created_at": "2022-09-04T14:41:32.312095Z",
"structure_string": "Tl2 Sn1 Cl6\n1.0\n0.000000 5.131359 5.131359\n5.131359 0.000000 5.131359\n5.131359 5.131359 0.000000\nTl Sn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.759464 0.240536 0.759464 Cl\n0.240536 0.240536 0.759464 Cl\n0.759464 0.759464 0.240536 Cl\n0.240536 0.759464 0.240536 Cl\n0.240536 0.759464 0.759464 Cl\n0.759464 0.240536 0.240536 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn-Tl",
"density": 4.548495975429054,
"density_atomic": 0.03330545064475466,
"volume": 270.22603885461695,
"volume_molar": 18.081547144441473,
"formula_full": "Tl2 Sn1 Cl6",
"formula_reduced": "Tl2SnCl6",
"formula_anonymous": "AB2C6",
"energy": -32.7256799,
"energy_per_atom": -3.636186655555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.0416799,
"band_gap": 2.4814,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001968,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.132000Z",
"spacegroup": 225
},
{
"id": "mp-715262",
"created_at": "2022-09-04T14:47:21.099396Z",
"structure_string": "Fe2 O2\n1.0\n-2.265717 -2.083392 0.000000\n0.000000 2.083392 2.265716\n-2.265716 4.166785 -2.265716\nFe O\n2 2\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.250000 0.250000 O\n0.250000 0.750000 0.750000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.577375605140057,
"density_atomic": 0.09350134729262354,
"volume": 42.7801322207853,
"volume_molar": 6.440699449124511,
"formula_full": "Fe2 O2",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy": -32.72492176,
"energy_per_atom": -8.18123044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.83892176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.859000Z",
"spacegroup": 139
},
{
"id": "mp-21471",
"created_at": "2022-09-04T14:44:55.868522Z",
"structure_string": "Li2 Fe2 As2\n1.0\n3.790629 0.000000 0.000000\n0.000000 3.790629 0.000000\n0.000000 0.000000 6.107451\nLi Fe As\n2 2 2\ndirect\n0.000000 0.500000 0.168968 Li\n0.500000 0.000000 0.831032 Li\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.725714 As\n0.500000 0.000000 0.274286 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Fe",
"As"
],
"chemical_system": "As-Fe-Li",
"density": 5.21140049061562,
"density_atomic": 0.06837049078351351,
"volume": 87.75715855248485,
"volume_molar": 8.808099358345027,
"formula_full": "Li2 Fe2 As2",
"formula_reduced": "LiFeAs",
"formula_anonymous": "ABC",
"energy": -32.72438031,
"energy_per_atom": -5.454063385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.72438031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5364148,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.077000Z",
"spacegroup": 129
},
{
"id": "mp-570843",
"created_at": "2022-09-04T14:44:22.908813Z",
"structure_string": "Tm1 Ge2 Rh2\n1.0\n-2.063499 2.063499 5.145339\n2.063499 -2.063499 5.145339\n2.063499 2.063499 -5.145339\nTm Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.379464 0.379464 0.000000 Ge\n0.620536 0.620536 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Tm",
"density": 9.85351053415623,
"density_atomic": 0.057054183428278386,
"volume": 87.6359926574954,
"volume_molar": 10.555125668515274,
"formula_full": "Tm1 Ge2 Rh2",
"formula_reduced": "Tm(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -32.7228457,
"energy_per_atom": -6.54456914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.7228457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0086467,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.873000Z",
"spacegroup": 139
},
{
"id": "mp-1110929",
"created_at": "2022-09-04T14:45:58.507275Z",
"structure_string": "K3 As1 Br6\n1.0\n0.000000 5.777161 5.777161\n5.777161 0.000000 5.777161\n5.777161 5.777161 0.000000\nK As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.769869 0.230131 0.230131 Br\n0.230131 0.230131 0.769869 Br\n0.230131 0.769869 0.769869 Br\n0.230131 0.769869 0.230131 Br\n0.769869 0.230131 0.769869 Br\n0.769869 0.769869 0.230131 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"As",
"Br"
],
"chemical_system": "As-Br-K",
"density": 2.8920950737715097,
"density_atomic": 0.025931437475216906,
"volume": 385.6323047866961,
"volume_molar": 23.223320210287056,
"formula_full": "K3 As1 Br6",
"formula_reduced": "K3AsBr6",
"formula_anonymous": "AB3C6",
"energy": -32.72222096,
"energy_per_atom": -3.272222096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.51822096,
"band_gap": 2.9616,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0018789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.028000Z",
"spacegroup": 225
},
{
"id": "mp-1227366",
"created_at": "2022-09-04T14:47:08.427836Z",
"structure_string": "Be1 Zn3 S4\n1.0\n-2.652791 -2.652791 0.000000\n0.000000 2.652791 -2.652791\n7.984051 -5.331259 -7.984051\nBe Zn S\n1 3 4\ndirect\n0.250604 0.749396 0.751811 Be\n0.997102 0.002898 0.991306 Zn\n0.750165 0.249835 0.250494 Zn\n0.503428 0.496572 0.510283 Zn\n0.060511 0.939489 0.181533 S\n0.813596 0.186404 0.440787 S\n0.567152 0.432848 0.701456 S\n0.307444 0.692556 0.922331 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Zn",
"S"
],
"chemical_system": "Be-S-Zn",
"density": 3.694632320932367,
"density_atomic": 0.053372474900497215,
"volume": 149.889995075448,
"volume_molar": 11.283233110750684,
"formula_full": "Be1 Zn3 S4",
"formula_reduced": "BeZn3S4",
"formula_anonymous": "AB3C4",
"energy": -32.72203043,
"energy_per_atom": -4.09025380375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.71003043,
"band_gap": 2.9164,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.031000Z",
"spacegroup": 160
},
{
"id": "mp-1206766",
"created_at": "2022-09-04T14:44:08.087585Z",
"structure_string": "Y2 Cu3 Sn3\n1.0\n3.046304 0.000000 0.000000\n0.000000 3.046304 0.000000\n0.000000 0.000000 22.259761\nY Cu Sn\n2 3 3\ndirect\n0.500000 0.500000 0.756381 Y\n0.500000 0.500000 0.243619 Y\n0.500000 0.500000 0.117232 Cu\n0.500000 0.500000 0.882768 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.386146 Sn\n0.500000 0.500000 0.613854 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Y",
"density": 5.824629178666978,
"density_atomic": 0.03872781619563175,
"volume": 206.56987111249376,
"volume_molar": 15.54991050768119,
"formula_full": "Y2 Cu3 Sn3",
"formula_reduced": "Y2(CuSn)3",
"formula_anonymous": "A2B3C3",
"energy": -32.72154508,
"energy_per_atom": -4.090193135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.72154508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0123181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.399000Z",
"spacegroup": 123
},
{
"id": "mp-1111981",
"created_at": "2022-09-04T14:46:24.589732Z",
"structure_string": "K2 Ga1 Hg1 Cl6\n1.0\n0.000000 5.235014 5.235014\n5.235014 0.000000 5.235014\n5.235014 5.235014 0.000000\nK Ga Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.767854 0.232146 0.232146 Cl\n0.232146 0.232146 0.767854 Cl\n0.232146 0.767854 0.767854 Cl\n0.232146 0.767854 0.232146 Cl\n0.767854 0.232146 0.767854 Cl\n0.767854 0.767854 0.232146 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Hg",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-K",
"density": 3.2479144396343496,
"density_atomic": 0.03485109773409912,
"volume": 286.9350077950563,
"volume_molar": 17.27963005913527,
"formula_full": "K2 Ga1 Hg1 Cl6",
"formula_reduced": "K2GaHgCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.72085414,
"energy_per_atom": -3.272085414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.03685414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.319000Z",
"spacegroup": 225
}
]
}