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=-spacegroup&page=1750",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=1748",
"results": [
{
"id": "mp-1189472",
"created_at": "2022-09-04T14:48:26.741846Z",
"structure_string": "Al2 V8 N6\n1.0\n1.399336 -2.423721 0.000000\n1.399336 2.423721 0.000000\n0.000000 0.000000 23.764003\nAl V N\n2 8 6\ndirect\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.445382 V\n0.666667 0.333333 0.554618 V\n0.666667 0.333333 0.945382 V\n0.333333 0.666667 0.054618 V\n0.333333 0.666667 0.840144 V\n0.666667 0.333333 0.159856 V\n0.666667 0.333333 0.340144 V\n0.333333 0.666667 0.659856 V\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.391525 N\n0.000000 0.000000 0.608475 N\n0.000000 0.000000 0.891525 N\n0.000000 0.000000 0.108475 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"V",
"N"
],
"chemical_system": "Al-N-V",
"density": 5.619759239054658,
"density_atomic": 0.09925805380812665,
"volume": 161.19598749063945,
"volume_molar": 6.067155791348937,
"formula_full": "Al2 V8 N6",
"formula_reduced": "AlV4N3",
"formula_anonymous": "AB3C4",
"energy": -146.65608978,
"energy_per_atom": -9.16600561125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.49008978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:22.994000Z",
"spacegroup": 194
},
{
"id": "mp-20766",
"created_at": "2022-09-04T14:48:26.174672Z",
"structure_string": "Ce2 Cu2 Ge2\n1.0\n2.137997 -3.703120 0.000000\n2.137997 3.703120 0.000000\n0.000000 0.000000 7.811989\nCe Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Ge"
],
"chemical_system": "Ce-Cu-Ge",
"density": 7.418167337162982,
"density_atomic": 0.048504804056142894,
"volume": 123.69908747709145,
"volume_molar": 12.415555277843302,
"formula_full": "Ce2 Cu2 Ge2",
"formula_reduced": "CeCuGe",
"formula_anonymous": "ABC",
"energy": -32.81356426,
"energy_per_atom": -5.468927376666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.81356426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9780322,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:19.030000Z",
"spacegroup": 194
},
{
"id": "mp-864982",
"created_at": "2022-09-04T14:48:26.151549Z",
"structure_string": "Dy2 Br6\n1.0\n5.354576 -9.274398 0.000000\n5.354576 9.274398 0.000000\n0.000000 0.000000 3.743935\nDy Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.219086 0.438172 0.250000 Br\n0.561828 0.780914 0.250000 Br\n0.219086 0.780914 0.250000 Br\n0.780914 0.561828 0.750000 Br\n0.438172 0.219086 0.750000 Br\n0.780914 0.219086 0.750000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"Br"
],
"chemical_system": "Br-Dy",
"density": 3.5922371890878035,
"density_atomic": 0.021513985662754344,
"volume": 371.8511356010541,
"volume_molar": 27.991748504442445,
"formula_full": "Dy2 Br6",
"formula_reduced": "DyBr3",
"formula_anonymous": "AB3",
"energy": -37.06045852,
"energy_per_atom": -4.632557315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.85645852,
"band_gap": 3.0029,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.536000Z",
"spacegroup": 194
},
{
"id": "mp-1078372",
"created_at": "2022-09-04T14:48:26.105873Z",
"structure_string": "Na4 Mg2 Pb2\n1.0\n2.575317 -4.460580 0.000000\n2.575317 4.460580 0.000000\n0.000000 0.000000 10.199934\nNa Mg Pb\n4 2 2\ndirect\n0.333333 0.666667 0.919682 Na\n0.666667 0.333333 0.080318 Na\n0.666667 0.333333 0.419682 Na\n0.333333 0.666667 0.580318 Na\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.250000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Pb"
],
"chemical_system": "Mg-Na-Pb",
"density": 3.932497883981766,
"density_atomic": 0.034138198728940895,
"volume": 234.34159674095352,
"volume_molar": 17.640476018714743,
"formula_full": "Na4 Mg2 Pb2",
"formula_reduced": "Na2MgPb",
"formula_anonymous": "ABC2",
"energy": -16.95211457,
"energy_per_atom": -2.11901432125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.95211457,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002035,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:07.463000Z",
"spacegroup": 194
},
{
"id": "mp-1226835",
"created_at": "2022-09-04T14:48:26.093763Z",
"structure_string": "Ce4 Al6 Ru2\n1.0\n2.785558 -4.824727 0.000000\n2.785558 4.824727 0.000000\n0.000000 0.000000 8.774832\nCe Al Ru\n4 6 2\ndirect\n0.333333 0.666667 0.938112 Ce\n0.666667 0.333333 0.061888 Ce\n0.666667 0.333333 0.438112 Ce\n0.333333 0.666667 0.561888 Ce\n0.837404 0.162596 0.750000 Al\n0.837404 0.674808 0.750000 Al\n0.325192 0.162596 0.750000 Al\n0.162596 0.837404 0.250000 Al\n0.162596 0.325192 0.250000 Al\n0.674808 0.837404 0.250000 Al\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Ru"
],
"chemical_system": "Al-Ce-Ru",
"density": 6.50877227975892,
"density_atomic": 0.050877702313778465,
"volume": 235.85970777517238,
"volume_molar": 11.836502998621288,
"formula_full": "Ce4 Al6 Ru2",
"formula_reduced": "Ce2Al3Ru",
"formula_anonymous": "AB2C3",
"energy": -71.05590783,
"energy_per_atom": -5.921325652499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.05590783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4923556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.219000Z",
"spacegroup": 194
},
{
"id": "mp-609413",
"created_at": "2022-09-04T14:48:26.006782Z",
"structure_string": "Eu4 Ga6 Ir2\n1.0\n2.845397 -4.928373 0.000000\n2.845397 4.928373 0.000000\n0.000000 0.000000 8.740348\nEu Ga Ir\n4 6 2\ndirect\n0.333333 0.666667 0.450294 Eu\n0.666667 0.333333 0.950294 Eu\n0.333333 0.666667 0.049706 Eu\n0.666667 0.333333 0.549706 Eu\n0.839966 0.679932 0.250000 Ga\n0.839966 0.160034 0.250000 Ga\n0.160034 0.839966 0.750000 Ga\n0.320068 0.160034 0.250000 Ga\n0.679932 0.839966 0.750000 Ga\n0.160034 0.320068 0.750000 Ga\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Ga",
"Ir"
],
"chemical_system": "Eu-Ga-Ir",
"density": 9.555566481055433,
"density_atomic": 0.0489526364799281,
"volume": 245.1349071856492,
"volume_molar": 12.301974302179293,
"formula_full": "Eu4 Ga6 Ir2",
"formula_reduced": "Eu2Ga3Ir",
"formula_anonymous": "AB2C3",
"energy": -84.36438541,
"energy_per_atom": -7.030365450833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.36438541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.5189082,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:17.224000Z",
"spacegroup": 194
},
{
"id": "mp-1210661",
"created_at": "2022-09-04T14:48:25.903449Z",
"structure_string": "Lu4 Zn4 Sn4\n1.0\n2.253612 -3.903371 0.000000\n2.253612 3.903371 0.000000\n0.000000 0.000000 15.151970\nLu Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Lu\n0.000000 0.000000 0.750000 Lu\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.333333 0.666667 0.157312 Zn\n0.666667 0.333333 0.842688 Zn\n0.666667 0.333333 0.657312 Zn\n0.333333 0.666667 0.342688 Zn\n0.333333 0.666667 0.611166 Sn\n0.666667 0.333333 0.388834 Sn\n0.666667 0.333333 0.111166 Sn\n0.333333 0.666667 0.888834 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Zn",
"Sn"
],
"chemical_system": "Lu-Sn-Zn",
"density": 8.947248238210474,
"density_atomic": 0.045015613243445135,
"volume": 266.5741758332562,
"volume_molar": 13.377893415407161,
"formula_full": "Lu4 Zn4 Sn4",
"formula_reduced": "LuZnSn",
"formula_anonymous": "ABC",
"energy": -44.99577567,
"energy_per_atom": -3.7496479725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.99577567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.879000Z",
"spacegroup": 194
},
{
"id": "mp-865733",
"created_at": "2022-09-04T14:48:25.809170Z",
"structure_string": "Co2 Tc6\n1.0\n2.689010 -4.657501 0.000000\n2.689010 4.657501 0.000000\n0.000000 0.000000 4.302991\nCo Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.167107 0.334214 0.250000 Tc\n0.665786 0.832893 0.250000 Tc\n0.167107 0.832893 0.250000 Tc\n0.832893 0.665786 0.750000 Tc\n0.334214 0.167107 0.750000 Tc\n0.832893 0.167107 0.750000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Tc"
],
"chemical_system": "Co-Tc",
"density": 10.874913051449242,
"density_atomic": 0.07422396997394422,
"volume": 107.7818931378683,
"volume_molar": 8.113471648194013,
"formula_full": "Co2 Tc6",
"formula_reduced": "CoTc3",
"formula_anonymous": "AB3",
"energy": -76.88018448,
"energy_per_atom": -9.61002306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.88018448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0351555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:38.681000Z",
"spacegroup": 194
},
{
"id": "mp-1207420",
"created_at": "2022-09-04T14:48:26.765595Z",
"structure_string": "Zr18 Mo8 S2\n1.0\n4.381616 -7.589181 0.000000\n4.381616 7.589181 0.000000\n0.000000 0.000000 8.654439\nZr Mo S\n18 8 2\ndirect\n0.538308 0.076617 0.250000 Zr\n0.461692 0.923383 0.750000 Zr\n0.923383 0.461692 0.250000 Zr\n0.076617 0.538308 0.750000 Zr\n0.538308 0.461692 0.250000 Zr\n0.461692 0.538308 0.750000 Zr\n0.198298 0.396595 0.047986 Zr\n0.801702 0.603405 0.952014 Zr\n0.603405 0.801702 0.047986 Zr\n0.801702 0.603405 0.547986 Zr\n0.396595 0.198298 0.952014 Zr\n0.198298 0.396595 0.452014 Zr\n0.198298 0.801702 0.047986 Zr\n0.396595 0.198298 0.547986 Zr\n0.801702 0.198298 0.952014 Zr\n0.603405 0.801702 0.452014 Zr\n0.801702 0.198298 0.547986 Zr\n0.198298 0.801702 0.452014 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.891381 0.782763 0.250000 Mo\n0.108619 0.217237 0.750000 Mo\n0.217237 0.108619 0.250000 Mo\n0.782763 0.891381 0.750000 Mo\n0.891381 0.108619 0.250000 Mo\n0.108619 0.891381 0.750000 Mo\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"S"
],
"chemical_system": "Mo-S-Zr",
"density": 7.136657010176484,
"density_atomic": 0.04864742866735993,
"volume": 575.5699893504678,
"volume_molar": 12.37915533250078,
"formula_full": "Zr18 Mo8 S2",
"formula_reduced": "Zr9Mo4S",
"formula_anonymous": "AB4C9",
"energy": -257.57331501,
"energy_per_atom": -9.199046964642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.56731501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:49.079000Z",
"spacegroup": 194
},
{
"id": "mp-1245706",
"created_at": "2022-09-04T14:48:25.153282Z",
"structure_string": "Mn2 Ni2 N4\n1.0\n2.620399 0.000000 0.000000\n-1.310200 2.269249 0.000000\n0.000000 0.000000 11.984787\nMn Ni N\n2 2 4\ndirect\n0.333455 0.666909 0.250000 Mn\n0.666545 0.333091 0.750000 Mn\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.999882 0.999765 0.848293 N\n0.000118 0.000235 0.151707 N\n0.000118 0.000235 0.348293 N\n0.999882 0.999765 0.651707 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"N"
],
"chemical_system": "Mn-N-Ni",
"density": 6.600851597992037,
"density_atomic": 0.11225613603577642,
"volume": 71.26559208710313,
"volume_molar": 5.364642836165965,
"formula_full": "Mn2 Ni2 N4",
"formula_reduced": "MnNiN2",
"formula_anonymous": "ABC2",
"energy": -64.75326405,
"energy_per_atom": -8.09415800625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.30926405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.266000Z",
"spacegroup": 194
},
{
"id": "mp-1102649",
"created_at": "2022-09-04T14:48:25.270576Z",
"structure_string": "Tb4 Mn8\n1.0\n-2.687983 -4.657061 0.000000\n-2.687983 4.657061 0.000000\n0.000000 0.000000 -8.174076\nTb Mn\n4 8\ndirect\n0.666636 0.333364 0.559118 Tb\n0.333364 0.666636 0.440882 Tb\n0.333364 0.666636 0.059118 Tb\n0.666636 0.333364 0.940882 Tb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.164852 0.329374 0.750000 Mn\n0.164323 0.835677 0.750000 Mn\n0.670626 0.835148 0.750000 Mn\n0.835148 0.670626 0.250000 Mn\n0.835677 0.164323 0.250000 Mn\n0.329374 0.164852 0.250000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Mn"
],
"chemical_system": "Mn-Tb",
"density": 8.724359811192302,
"density_atomic": 0.0586373229719791,
"volume": 204.64781459642037,
"volume_molar": 10.270149547716887,
"formula_full": "Tb4 Mn8",
"formula_reduced": "TbMn2",
"formula_anonymous": "AB2",
"energy": -90.8349438,
"energy_per_atom": -7.56957865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.8349438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.3357039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:08.797000Z",
"spacegroup": 194
},
{
"id": "mp-1187063",
"created_at": "2022-09-04T14:48:25.509742Z",
"structure_string": "Th6 Nb2\n1.0\n3.368688 -5.834739 0.000000\n3.368688 5.834739 0.000000\n0.000000 0.000000 5.821206\nTh Nb\n6 2\ndirect\n0.824620 0.175380 0.750000 Th\n0.350761 0.175380 0.750000 Th\n0.824620 0.649239 0.750000 Th\n0.175380 0.824620 0.250000 Th\n0.649239 0.824620 0.250000 Th\n0.175380 0.350761 0.250000 Th\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.750000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Nb"
],
"chemical_system": "Nb-Th",
"density": 11.450968652457927,
"density_atomic": 0.03495946675320097,
"volume": 228.83644239989735,
"volume_molar": 17.226065839372676,
"formula_full": "Th6 Nb2",
"formula_reduced": "Th3Nb",
"formula_anonymous": "AB3",
"energy": -62.58422926,
"energy_per_atom": -7.8230286575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.58422926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:21.826000Z",
"spacegroup": 194
}
]
}