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=nsites&page=45",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=43",
"results": [
{
"id": "mp-510403",
"created_at": "2022-09-04T14:41:27.724359Z",
"structure_string": "Gd1 Sb1\n1.0\n0.000000 3.148867 3.148867\n3.148867 0.000000 3.148867\n3.148867 3.148867 0.000000\nGd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Sb"
],
"chemical_system": "Gd-Sb",
"density": 7.419521852144428,
"density_atomic": 0.032028533013835056,
"volume": 62.44432110381326,
"volume_molar": 18.802424567490103,
"formula_full": "Gd1 Sb1",
"formula_reduced": "GdSb",
"formula_anonymous": "AB",
"energy": -20.72248524,
"energy_per_atom": -10.36124262,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.53048524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0292181,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.054000Z",
"spacegroup": 225
},
{
"id": "mp-1223637",
"created_at": "2022-09-04T14:41:27.760755Z",
"structure_string": "In1 Sb1\n1.0\n-2.944740 2.944740 1.636377\n2.944740 -2.944740 1.636377\n2.944740 2.944740 -1.636377\nIn Sb\n1 1\ndirect\n0.750000 0.250000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 6.921276258509032,
"density_atomic": 0.03523649695406299,
"volume": 56.759331173225135,
"volume_molar": 17.090634088430885,
"formula_full": "In1 Sb1",
"formula_reduced": "InSb",
"formula_anonymous": "AB",
"energy": -7.06706038,
"energy_per_atom": -3.53353019,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.87506038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.145000Z",
"spacegroup": 119
},
{
"id": "mp-1184350",
"created_at": "2022-09-04T14:41:28.194871Z",
"structure_string": "Er1 U1\n1.0\n1.601822 -2.774438 0.000000\n1.601822 2.774438 0.000000\n0.000000 0.000000 5.724998\nEr U\n1 1\ndirect\n0.333333 0.666667 0.500000 Er\n0.000000 0.000000 0.000000 U\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"U"
],
"chemical_system": "Er-U",
"density": 13.225683724711425,
"density_atomic": 0.039303876133377665,
"volume": 50.8855664314889,
"volume_molar": 15.322002185137853,
"formula_full": "Er1 U1",
"formula_reduced": "ErU",
"formula_anonymous": "AB",
"energy": -15.00110966,
"energy_per_atom": -7.50055483,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.00110966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1010284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.854000Z",
"spacegroup": 187
},
{
"id": "mp-1184763",
"created_at": "2022-09-04T14:44:59.618834Z",
"structure_string": "Gd1 Zr1\n1.0\n1.696954 -2.939210 0.000000\n1.696954 2.939210 0.000000\n0.000000 0.000000 5.446174\nGd Zr\n1 1\ndirect\n0.666667 0.333333 0.500000 Gd\n0.333333 0.666667 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Zr"
],
"chemical_system": "Gd-Zr",
"density": 7.594651575784616,
"density_atomic": 0.03681355862451297,
"volume": 54.32780950082517,
"volume_molar": 16.358485799821725,
"formula_full": "Gd1 Zr1",
"formula_reduced": "GdZr",
"formula_anonymous": "AB",
"energy": -22.38838992,
"energy_per_atom": -11.19419496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.38838992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3537938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.609000Z",
"spacegroup": 187
},
{
"id": "mp-16728",
"created_at": "2022-09-04T14:41:47.216599Z",
"structure_string": "Sc1 P1\n1.0\n3.279281 0.000000 0.000000\n0.000000 3.279281 0.000000\n0.000000 0.000000 3.279281\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.575400812360045,
"density_atomic": 0.056714498663306225,
"volume": 35.264351217724546,
"volume_molar": 10.618344342160732,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy": -13.61061203,
"energy_per_atom": -6.805306015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.61061203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009435,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.471000Z",
"spacegroup": 221
},
{
"id": "mp-1002183",
"created_at": "2022-09-04T14:39:40.849629Z",
"structure_string": "Tc1 B1\n1.0\n2.733406 0.000000 0.000000\n0.000000 2.733406 0.000000\n0.000000 0.000000 2.733406\nTc B\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 8.847273823092936,
"density_atomic": 0.09793040836559035,
"volume": 20.42266578255929,
"volume_molar": 6.149408401850379,
"formula_full": "Tc1 B1",
"formula_reduced": "TcB",
"formula_anonymous": "AB",
"energy": -16.76861589,
"energy_per_atom": -8.384307945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.76861589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.090000Z",
"spacegroup": 221
},
{
"id": "mp-1014219",
"created_at": "2022-09-04T14:39:30.230839Z",
"structure_string": "Hf1 Zn1\n1.0\n3.303560 0.000000 0.000000\n0.000000 3.303560 0.000000\n0.000000 0.000000 3.303560\nHf Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Zn"
],
"chemical_system": "Hf-Zn",
"density": 11.23343353979691,
"density_atomic": 0.05547322294731853,
"volume": 36.05343071375802,
"volume_molar": 10.855941731957902,
"formula_full": "Hf1 Zn1",
"formula_reduced": "HfZn",
"formula_anonymous": "AB",
"energy": -11.61533778,
"energy_per_atom": -5.80766889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.61533778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38Z",
"spacegroup": 221
},
{
"id": "mp-1227305",
"created_at": "2022-09-04T14:41:33.125330Z",
"structure_string": "Bi1 Te1\n1.0\n1.976741 -3.125987 0.000000\n1.976741 3.125987 0.000000\n0.000000 0.000000 5.057689\nBi Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"Te"
],
"chemical_system": "Bi-Te",
"density": 8.94167468656128,
"density_atomic": 0.03199712378451605,
"volume": 62.50561811333285,
"volume_molar": 18.820881528464803,
"formula_full": "Bi1 Te1",
"formula_reduced": "BiTe",
"formula_anonymous": "AB",
"energy": -7.14064946,
"energy_per_atom": -3.57032473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.71864946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.519000Z",
"spacegroup": 65
},
{
"id": "mp-22875",
"created_at": "2022-09-04T14:40:00.334941Z",
"structure_string": "Tl1 Br1\n1.0\n4.057120 0.000000 0.000000\n0.000000 4.057120 0.000000\n0.000000 0.000000 4.057120\nTl Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Br"
],
"chemical_system": "Br-Tl",
"density": 7.068918855673896,
"density_atomic": 0.02994859382364082,
"volume": 66.78109869790414,
"volume_molar": 20.108258823311576,
"formula_full": "Tl1 Br1",
"formula_reduced": "TlBr",
"formula_anonymous": "AB",
"energy": -6.21073496,
"energy_per_atom": -3.10536748,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.67673496,
"band_gap": 1.9877,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006975,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.640000Z",
"spacegroup": 221
},
{
"id": "mp-1986",
"created_at": "2022-09-04T14:45:07.425197Z",
"structure_string": "Zn1 O1\n1.0\n0.000000 2.315226 2.315226\n2.315226 0.000000 2.315226\n2.315226 2.315226 0.000000\nZn O\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"O"
],
"chemical_system": "O-Zn",
"density": 5.446382620285314,
"density_atomic": 0.08057862034755721,
"volume": 24.820479568568725,
"volume_molar": 7.473621084631247,
"formula_full": "Zn1 O1",
"formula_reduced": "ZnO",
"formula_anonymous": "AB",
"energy": -9.77525412,
"energy_per_atom": -4.88762706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.08825412,
"band_gap": 0.6308999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.06e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.873000Z",
"spacegroup": 216
},
{
"id": "mp-1186632",
"created_at": "2022-09-04T14:40:39.787995Z",
"structure_string": "Pm1 Pr1\n1.0\n1.848614 -3.201893 0.000000\n1.848614 3.201893 0.000000\n0.000000 0.000000 6.051749\nPm Pr\n1 1\ndirect\n0.666667 0.333333 0.500000 Pm\n0.333333 0.666667 0.000000 Pr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"Pr"
],
"chemical_system": "Pm-Pr",
"density": 6.626907645356025,
"density_atomic": 0.027916826050401626,
"volume": 71.6413820249178,
"volume_molar": 21.57172433974944,
"formula_full": "Pm1 Pr1",
"formula_reduced": "PmPr",
"formula_anonymous": "AB",
"energy": -9.47455904,
"energy_per_atom": -4.73727952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.47455904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.744000Z",
"spacegroup": 187
},
{
"id": "mp-1059160",
"created_at": "2022-09-04T14:41:33.689961Z",
"structure_string": "Br1 N1\n1.0\n3.047445 0.000000 0.000000\n0.000000 3.047445 0.000000\n0.000000 0.000000 3.047445\nBr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Br",
"N"
],
"chemical_system": "Br-N",
"density": 5.510062771631311,
"density_atomic": 0.07066792946632623,
"volume": 28.30138105224965,
"volume_molar": 8.521745019952215,
"formula_full": "Br1 N1",
"formula_reduced": "BrN",
"formula_anonymous": "AB",
"energy": -4.5996594,
"energy_per_atom": -2.2998297,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.2386594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009269,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.343000Z",
"spacegroup": 221
}
]
}