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=-volume&page=11522",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11520",
"results": [
{
"id": "mp-20272",
"created_at": "2022-09-04T14:48:06.756117Z",
"structure_string": "Gd1 Pt3\n1.0\n4.149490 0.000000 0.000000\n0.000000 4.149490 0.000000\n0.000000 0.000000 4.149490\nGd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Gd",
"Pt"
],
"chemical_system": "Gd-Pt",
"density": 17.256891094948458,
"density_atomic": 0.05598553393239821,
"volume": 71.44702781311234,
"volume_molar": 10.756601459354938,
"formula_full": "Gd1 Pt3",
"formula_reduced": "GdPt3",
"formula_anonymous": "AB3",
"energy": -36.05984875,
"energy_per_atom": -9.0149621875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.05984875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0884638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.622000Z",
"spacegroup": 221
},
{
"id": "mp-1018718",
"created_at": "2022-09-04T14:46:16.076874Z",
"structure_string": "Hf1 Ta2 N3\n1.0\n2.625277 -4.547114 0.000000\n2.625277 4.547114 0.000000\n0.000000 0.000000 2.992004\nHf Ta N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.500000 Ta\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ta",
"N"
],
"chemical_system": "Hf-N-Ta",
"density": 13.538535618099123,
"density_atomic": 0.08399396998303749,
"volume": 71.43369936212915,
"volume_molar": 7.169729876104399,
"formula_full": "Hf1 Ta2 N3",
"formula_reduced": "HfTa2N3",
"formula_anonymous": "AB2C3",
"energy": -65.51003831,
"energy_per_atom": -10.918339718333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.42703831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.947000Z",
"spacegroup": 191
},
{
"id": "mp-21473",
"created_at": "2022-09-04T14:42:59.314989Z",
"structure_string": "Gd1 Ni2 P2\n1.0\n-1.947875 1.947875 4.706424\n1.947875 -1.947875 4.706424\n1.947875 1.947875 -4.706424\nGd Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.623925 0.623925 0.000000 P\n0.376075 0.376075 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Ni",
"P"
],
"chemical_system": "Gd-Ni-P",
"density": 7.824737448534616,
"density_atomic": 0.06999979942827486,
"volume": 71.4287760941835,
"volume_molar": 8.603082879073922,
"formula_full": "Gd1 Ni2 P2",
"formula_reduced": "Gd(NiP)2",
"formula_anonymous": "AB2C2",
"energy": -41.53363776,
"energy_per_atom": -8.306727552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.53363776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9264378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.839000Z",
"spacegroup": 139
},
{
"id": "mp-19322",
"created_at": "2022-09-04T14:40:39.031680Z",
"structure_string": "Ba1 Mo1 O3\n1.0\n4.149133 0.000000 0.000000\n0.000000 4.149133 0.000000\n0.000000 0.000000 4.149133\nBa Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 6.53872436230311,
"density_atomic": 0.06999998313733526,
"volume": 71.42858863537633,
"volume_molar": 8.603060301007451,
"formula_full": "Ba1 Mo1 O3",
"formula_reduced": "BaMoO3",
"formula_anonymous": "ABC3",
"energy": -40.1924633,
"energy_per_atom": -8.03849266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9294633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0016196,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.435000Z",
"spacegroup": 221
},
{
"id": "mp-977558",
"created_at": "2022-09-04T14:43:37.525115Z",
"structure_string": "Mg1 Pa1 Ru2\n1.0\n0.000000 3.293152 3.293152\n3.293152 0.000000 3.293152\n3.293152 3.293152 0.000000\nMg Pa Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Pa\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Pa",
"Ru"
],
"chemical_system": "Mg-Pa-Ru",
"density": 10.63547080386732,
"density_atomic": 0.05600085603743096,
"volume": 71.42747956078387,
"volume_molar": 10.753658401176587,
"formula_full": "Mg1 Pa1 Ru2",
"formula_reduced": "MgPaRu2",
"formula_anonymous": "ABC2",
"energy": -31.24052291,
"energy_per_atom": -7.8101307275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.24052291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.993000Z",
"spacegroup": 225
},
{
"id": "mp-865732",
"created_at": "2022-09-04T14:41:29.179819Z",
"structure_string": "Lu1 Cd2\n1.0\n2.472767 -4.282957 0.000000\n2.472767 4.282957 0.000000\n0.000000 0.000000 3.371827\nLu Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Lu",
"Cd"
],
"chemical_system": "Cd-Lu",
"density": 9.29517879442325,
"density_atomic": 0.04200481387086313,
"volume": 71.42038551159887,
"volume_molar": 14.336787156143766,
"formula_full": "Lu1 Cd2",
"formula_reduced": "LuCd2",
"formula_anonymous": "AB2",
"energy": -7.156444780000001,
"energy_per_atom": -2.3854815933333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.156444780000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.844000Z",
"spacegroup": 191
},
{
"id": "mp-1422029",
"created_at": "2022-09-04T14:47:21.886778Z",
"structure_string": "Mn1 S2\n1.0\n7.404182 -1.675890 0.000000\n7.404182 1.675890 0.000000\n7.024855 0.000000 2.877834\nMn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.393303 0.393303 0.393303 S\n0.606697 0.606697 0.606697 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 2.768381832199617,
"density_atomic": 0.04200518722725515,
"volume": 71.41975070291899,
"volume_molar": 14.336659725902903,
"formula_full": "Mn1 S2",
"formula_reduced": "MnS2",
"formula_anonymous": "AB2",
"energy": -20.10347658,
"energy_per_atom": -6.70115886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.09747658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.472000Z",
"spacegroup": 166
},
{
"id": "mp-982245",
"created_at": "2022-09-04T14:39:32.264771Z",
"structure_string": "Pb1 Au1 O3\n1.0\n4.148796 0.000000 0.000000\n0.000000 4.148796 0.000000\n0.000000 0.000000 4.148796\nPb Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 10.514280914279322,
"density_atomic": 0.07001704247976591,
"volume": 71.41118537597386,
"volume_molar": 8.600964203451362,
"formula_full": "Pb1 Au1 O3",
"formula_reduced": "PbAuO3",
"formula_anonymous": "ABC3",
"energy": -24.84501468,
"energy_per_atom": -4.969002936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.78401468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.549000Z",
"spacegroup": 221
},
{
"id": "mp-2059",
"created_at": "2022-09-04T14:41:16.991142Z",
"structure_string": "Nb2 As2\n1.0\n-1.742339 1.742339 5.880745\n1.742339 -1.742339 5.880745\n1.742339 1.742339 -5.880745\nNb As\n2 2\ndirect\n0.749343 0.749343 0.000000 Nb\n0.499343 0.999343 0.500000 Nb\n0.167657 0.167657 0.000000 As\n0.917657 0.417657 0.500000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"As"
],
"chemical_system": "As-Nb",
"density": 7.805231803609782,
"density_atomic": 0.056014741525233676,
"volume": 71.40977341113087,
"volume_molar": 10.750992678038386,
"formula_full": "Nb2 As2",
"formula_reduced": "NbAs",
"formula_anonymous": "AB",
"energy": -32.19307334,
"energy_per_atom": -8.048268335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.19307334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019346,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.439000Z",
"spacegroup": 109
},
{
"id": "mp-1185848",
"created_at": "2022-09-04T14:39:57.693825Z",
"structure_string": "Mg1 Au3\n1.0\n-2.038919 2.038919 4.294134\n2.038919 -2.038919 4.294134\n2.038919 2.038919 -4.294134\nMg Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Au\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Au"
],
"chemical_system": "Au-Mg",
"density": 14.306494007510482,
"density_atomic": 0.05601759527831324,
"volume": 71.40613552093279,
"volume_molar": 10.75044498086733,
"formula_full": "Mg1 Au3",
"formula_reduced": "MgAu3",
"formula_anonymous": "AB3",
"energy": -13.00626628,
"energy_per_atom": -3.25156657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.00626628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.300000Z",
"spacegroup": 139
},
{
"id": "mp-1186797",
"created_at": "2022-09-04T14:43:09.172423Z",
"structure_string": "Pu1 In1 O3\n1.0\n4.148644 0.000000 0.000000\n0.000000 4.148644 0.000000\n0.000000 0.000000 4.148644\nPu In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"In",
"O"
],
"chemical_system": "In-O-Pu",
"density": 9.46082107196941,
"density_atomic": 0.07002473871525151,
"volume": 71.40333675976989,
"volume_molar": 8.60001889402033,
"formula_full": "Pu1 In1 O3",
"formula_reduced": "PuInO3",
"formula_anonymous": "ABC3",
"energy": -42.85751262,
"energy_per_atom": -8.571502524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.79651262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0055607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.722000Z",
"spacegroup": 221
},
{
"id": "mp-1077708",
"created_at": "2022-09-04T14:44:19.064651Z",
"structure_string": "Cr4 Fe2\n1.0\n0.000000 3.292738 3.292738\n3.292738 0.000000 3.292738\n3.292738 3.292738 0.000000\nCr Fe\n4 2\ndirect\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.625000 0.625000 Cr\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe",
"density": 7.434562785223406,
"density_atomic": 0.0840329727944657,
"volume": 71.40054433960418,
"volume_molar": 7.166402139228627,
"formula_full": "Cr4 Fe2",
"formula_reduced": "Cr2Fe",
"formula_anonymous": "AB2",
"energy": -53.81677166,
"energy_per_atom": -8.969461943333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.81677166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5940697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.340000Z",
"spacegroup": 227
}
]
}