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=11475",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=11473",
"results": [
{
"id": "mp-1097543",
"created_at": "2022-09-04T14:42:11.140453Z",
"structure_string": "Mn1 Nb2 Tc1\n1.0\n-4.324778 5.733896 8.411899\n4.324778 -5.733896 8.411899\n4.324778 5.733896 -8.411899\nMn Nb Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.243795 0.243795 Nb\n0.000000 0.756205 0.756205 Nb\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Tc"
],
"chemical_system": "Mn-Nb-Tc",
"density": 0.6741581076167571,
"density_atomic": 0.004793936970825909,
"volume": 834.3872738299419,
"volume_molar": 125.61994028391437,
"formula_full": "Mn1 Nb2 Tc1",
"formula_reduced": "MnNb2Tc",
"formula_anonymous": "ABC2",
"energy": -24.06838387,
"energy_per_atom": -6.0170959675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.06838387,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6639992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.817000Z",
"spacegroup": 71
},
{
"id": "mp-1186882",
"created_at": "2022-09-04T14:42:10.754618Z",
"structure_string": "Rb3 Zr1\n1.0\n0.000000 4.916580 4.916580\n4.916580 0.000000 4.916580\n4.916580 4.916580 0.000000\nRb Zr\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Zr"
],
"chemical_system": "Rb-Zr",
"density": 2.4285316707479794,
"density_atomic": 0.01682831625633236,
"volume": 237.6946058697246,
"volume_molar": 35.78575936100509,
"formula_full": "Rb3 Zr1",
"formula_reduced": "Rb3Zr",
"formula_anonymous": "AB3",
"energy": -7.40127213,
"energy_per_atom": -1.8503180325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.40127213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7799064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.344000Z",
"spacegroup": 225
},
{
"id": "mp-675098",
"created_at": "2022-09-04T14:42:12.092674Z",
"structure_string": "Si1 H2 O1\n1.0\n1.828378 2.464610 0.000000\n-1.828378 2.464610 0.000000\n0.000000 0.288450 5.004928\nSi H O\n1 2 1\ndirect\n0.681044 0.681044 0.267235 Si\n0.811163 0.811163 0.697954 H\n0.336362 0.336362 0.220575 H\n0.642499 0.642499 0.604236 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 1.6971309274352975,
"density_atomic": 0.08867842441448189,
"volume": 45.10680051445263,
"volume_molar": 6.790987548281854,
"formula_full": "Si1 H2 O1",
"formula_reduced": "SiH2O",
"formula_anonymous": "ABC2",
"energy": -19.75250302,
"energy_per_atom": -4.938125755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.70750302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.197000Z",
"spacegroup": 8
},
{
"id": "mp-1097628",
"created_at": "2022-09-04T14:42:10.869785Z",
"structure_string": "Be2 Ir1 Au1\n1.0\n-4.288762 4.833246 6.821862\n4.288762 -4.833246 6.821862\n4.288762 4.833246 -6.821862\nBe Ir Au\n2 1 1\ndirect\n0.000000 0.242331 0.242331 Be\n0.000000 0.757669 0.757669 Be\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ir",
"Au"
],
"chemical_system": "Au-Be-Ir",
"density": 1.1954503954914624,
"density_atomic": 0.00707173900340997,
"volume": 565.6317347219988,
"volume_molar": 85.1578481204714,
"formula_full": "Be2 Ir1 Au1",
"formula_reduced": "Be2IrAu",
"formula_anonymous": "ABC2",
"energy": -10.96012293,
"energy_per_atom": -2.7400307325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.96012293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9174685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.508000Z",
"spacegroup": 71
},
{
"id": "mp-1063927",
"created_at": "2022-09-04T14:42:10.930304Z",
"structure_string": "Ti1 S2 N1\n1.0\n8.775854 -1.711045 0.000000\n8.775854 1.711045 0.000000\n8.442248 0.000000 2.944781\nTi S N\n1 2 1\ndirect\n0.999975 0.999975 0.999975 Ti\n0.387614 0.387614 0.387614 S\n0.612381 0.612381 0.612381 S\n0.167030 0.167030 0.167030 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"S",
"N"
],
"chemical_system": "N-S-Ti",
"density": 2.3659119426996598,
"density_atomic": 0.04522995673817884,
"volume": 88.43696276683765,
"volume_molar": 13.314495954219385,
"formula_full": "Ti1 S2 N1",
"formula_reduced": "TiS2N",
"formula_anonymous": "ABC2",
"energy": -24.45897314,
"energy_per_atom": -6.114743285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.09197314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0020959,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.684000Z",
"spacegroup": 160
},
{
"id": "mp-864923",
"created_at": "2022-09-04T14:42:10.880464Z",
"structure_string": "Mg1 Zn1 Pd2\n1.0\n0.000000 3.121300 3.121300\n3.121300 0.000000 3.121300\n3.121300 3.121300 0.000000\nMg Zn Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Pd"
],
"chemical_system": "Mg-Pd-Zn",
"density": 8.260673624612895,
"density_atomic": 0.06576933619390886,
"volume": 60.81861596119401,
"volume_molar": 9.156456653667327,
"formula_full": "Mg1 Zn1 Pd2",
"formula_reduced": "MgZnPd2",
"formula_anonymous": "ABC2",
"energy": -15.87143964,
"energy_per_atom": -3.96785991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.87143964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.927000Z",
"spacegroup": 225
},
{
"id": "mp-1239183",
"created_at": "2022-09-04T14:42:10.968973Z",
"structure_string": "Mo1 S3\n1.0\n3.664636 1.257132 0.069259\n0.982552 7.330794 0.757138\n0.116335 0.743626 10.909563\nMo S\n1 3\ndirect\n0.624870 0.960651 0.235971 Mo\n0.274531 0.792587 0.204987 S\n0.712016 0.743632 0.699938 S\n0.351583 0.254129 0.286104 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 1.149118597402894,
"density_atomic": 0.014406857565535596,
"volume": 277.6455574579212,
"volume_molar": 41.80051571000673,
"formula_full": "Mo1 S3",
"formula_reduced": "MoS3",
"formula_anonymous": "AB3",
"energy": -20.87268729,
"energy_per_atom": -5.2181718225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.36368729,
"band_gap": 0.0142999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.545000Z",
"spacegroup": 1
},
{
"id": "mp-1183332",
"created_at": "2022-09-04T14:42:10.971667Z",
"structure_string": "Ba1 Ca3\n1.0\n-2.941174 2.941174 5.487432\n2.941174 -2.941174 5.487432\n2.941174 2.941174 -5.487432\nBa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca",
"density": 2.2524679537581664,
"density_atomic": 0.02106635566659317,
"volume": 189.87622079993469,
"volume_molar": 28.586533215851166,
"formula_full": "Ba1 Ca3",
"formula_reduced": "BaCa3",
"formula_anonymous": "AB3",
"energy": -7.78770594,
"energy_per_atom": -1.946926485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78770594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.443000Z",
"spacegroup": 139
},
{
"id": "mp-1097511",
"created_at": "2022-09-04T14:42:11.074222Z",
"structure_string": "Li1 Ta2 Os1\n1.0\n-5.200487 5.549105 7.945984\n5.200487 -5.549105 7.945984\n5.200487 5.549105 -7.945984\nLi Ta Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.286676 0.286676 Ta\n0.000000 0.713324 0.713324 Ta\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ta",
"Os"
],
"chemical_system": "Li-Os-Ta",
"density": 1.012134278857571,
"density_atomic": 0.0043609926638512805,
"volume": 917.2223638797684,
"volume_molar": 138.09105458759763,
"formula_full": "Li1 Ta2 Os1",
"formula_reduced": "LiTa2Os",
"formula_anonymous": "ABC2",
"energy": -20.22057223,
"energy_per_atom": -5.0551430575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.22057223,
"band_gap": 0.2493000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9438453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.321000Z",
"spacegroup": 71
},
{
"id": "mp-1220314",
"created_at": "2022-09-04T14:42:11.081352Z",
"structure_string": "Nb1 O2 F1\n1.0\n3.909373 0.000000 0.000000\n0.000000 3.909373 0.000000\n0.000000 0.000000 4.155344\nNb O F\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 3.7626992290459644,
"density_atomic": 0.06298524025269418,
"volume": 63.506942006606074,
"volume_molar": 9.561193600023465,
"formula_full": "Nb1 O2 F1",
"formula_reduced": "NbO2F",
"formula_anonymous": "ABC2",
"energy": -34.15941246,
"energy_per_atom": -8.539853115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.32341246,
"band_gap": 0.89,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.990000Z",
"spacegroup": 123
},
{
"id": "mp-978094",
"created_at": "2022-09-04T14:42:11.368909Z",
"structure_string": "Nd1 Ho3\n1.0\n5.049127 0.000000 0.000000\n0.000000 5.049127 0.000000\n0.000000 0.000000 5.049127\nNd Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Ho"
],
"chemical_system": "Ho-Nd",
"density": 8.243724556181451,
"density_atomic": 0.031074997872503746,
"volume": 128.72084549808903,
"volume_molar": 19.37937625839261,
"formula_full": "Nd1 Ho3",
"formula_reduced": "NdHo3",
"formula_anonymous": "AB3",
"energy": -18.42791469,
"energy_per_atom": -4.6069786725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.42791469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.687000Z",
"spacegroup": 221
},
{
"id": "mp-1187325",
"created_at": "2022-09-04T14:42:11.270395Z",
"structure_string": "Tb3 Pb1\n1.0\n-2.369319 2.369319 5.246651\n2.369319 -2.369319 5.246651\n2.369319 2.369319 -5.246651\nTb Pb\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Pb"
],
"chemical_system": "Pb-Tb",
"density": 9.64052644274972,
"density_atomic": 0.033952421146210617,
"volume": 117.81192224185268,
"volume_molar": 17.73699947366529,
"formula_full": "Tb3 Pb1",
"formula_reduced": "Tb3Pb",
"formula_anonymous": "AB3",
"energy": -18.67779465,
"energy_per_atom": -4.6694486625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.67779465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.162000Z",
"spacegroup": 139
}
]
}