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=11553",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11551",
"results": [
{
"id": "mp-1206659",
"created_at": "2022-09-04T14:43:21.622284Z",
"structure_string": "Hf2 Ir2\n1.0\n0.000000 -3.634142 0.000000\n-4.395052 0.000000 0.000000\n0.000000 0.000000 -4.390891\nHf Ir\n2 2\ndirect\n0.000000 0.750000 0.750475 Hf\n0.000000 0.250000 0.249525 Hf\n0.500000 0.750000 0.250337 Ir\n0.500000 0.250000 0.749663 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 17.5546151566152,
"density_atomic": 0.057034997179605196,
"volume": 70.13237832560701,
"volume_molar": 10.558676352759463,
"formula_full": "Hf2 Ir2",
"formula_reduced": "HfIr",
"formula_anonymous": "AB",
"energy": -41.23193791,
"energy_per_atom": -10.3079844775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.23193791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.683000Z",
"spacegroup": 123
},
{
"id": "mp-867117",
"created_at": "2022-09-04T14:48:23.138978Z",
"structure_string": "Sc2 Cu1 Pt1\n1.0\n0.000000 3.272991 3.272991\n3.272991 0.000000 3.272991\n3.272991 3.272991 0.000000\nSc Cu Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Pt"
],
"chemical_system": "Cu-Pt-Sc",
"density": 8.253526844112896,
"density_atomic": 0.05704210745033922,
"volume": 70.12363635902469,
"volume_molar": 10.557360218927514,
"formula_full": "Sc2 Cu1 Pt1",
"formula_reduced": "Sc2CuPt",
"formula_anonymous": "ABC2",
"energy": -26.03155041,
"energy_per_atom": -6.5078876025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.03155041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:10.555000Z",
"spacegroup": 225
},
{
"id": "mp-1188017",
"created_at": "2022-09-04T14:45:15.027402Z",
"structure_string": "Zr1 Sc1 Tc2\n1.0\n0.000000 3.272909 3.272909\n3.272909 0.000000 3.272909\n3.272909 3.272909 0.000000\nZr Sc Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Tc"
],
"chemical_system": "Sc-Tc-Zr",
"density": 7.866665366439955,
"density_atomic": 0.057046394984763424,
"volume": 70.11836595578676,
"volume_molar": 10.556566741173494,
"formula_full": "Zr1 Sc1 Tc2",
"formula_reduced": "ZrScTc2",
"formula_anonymous": "ABC2",
"energy": -36.49673664,
"energy_per_atom": -9.12418416,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.49673664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.134000Z",
"spacegroup": 225
},
{
"id": "mp-862336",
"created_at": "2022-09-04T14:40:34.299236Z",
"structure_string": "Sc2 Ir1 Pd1\n1.0\n0.000000 3.272883 3.272883\n3.272883 0.000000 3.272883\n3.272883 3.272883 0.000000\nSc Ir Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ir",
"Pd"
],
"chemical_system": "Ir-Pd-Sc",
"density": 9.201809959596526,
"density_atomic": 0.057047754536619366,
"volume": 70.11669490746338,
"volume_molar": 10.556315158967992,
"formula_full": "Sc2 Ir1 Pd1",
"formula_reduced": "Sc2IrPd",
"formula_anonymous": "ABC2",
"energy": -30.68389597,
"energy_per_atom": -7.6709739925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.68389597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.796000Z",
"spacegroup": 225
},
{
"id": "mp-866112",
"created_at": "2022-09-04T14:45:55.437417Z",
"structure_string": "Ho1 Nb1 Ru2\n1.0\n0.000000 3.272853 3.272853\n3.272853 0.000000 3.272853\n3.272853 3.272853 0.000000\nHo Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Nb",
"Ru"
],
"chemical_system": "Ho-Nb-Ru",
"density": 10.893700640405886,
"density_atomic": 0.05704932330398259,
"volume": 70.1147668077732,
"volume_molar": 10.55602487677465,
"formula_full": "Ho1 Nb1 Ru2",
"formula_reduced": "HoNbRu2",
"formula_anonymous": "ABC2",
"energy": -34.52891166,
"energy_per_atom": -8.632227915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.52891166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.87e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.859000Z",
"spacegroup": 225
},
{
"id": "mp-1188007",
"created_at": "2022-09-04T14:46:31.571286Z",
"structure_string": "Zr3 N1\n1.0\n4.123526 0.000000 0.000000\n0.000000 4.123526 0.000000\n0.000000 0.000000 4.123526\nZr N\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.813191457227377,
"density_atomic": 0.05704975445791692,
"volume": 70.11423691491298,
"volume_molar": 10.555945099539851,
"formula_full": "Zr3 N1",
"formula_reduced": "Zr3N",
"formula_anonymous": "AB3",
"energy": -31.7481479,
"energy_per_atom": -7.937036975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.3871479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.043000Z",
"spacegroup": 221
},
{
"id": "mp-755570",
"created_at": "2022-09-04T14:40:36.412185Z",
"structure_string": "Li1 Ni2 S2\n1.0\n1.842065 -3.190549 0.000000\n1.842065 3.190549 0.000000\n0.000000 0.000000 5.964924\nLi Ni S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.363573 Ni\n0.666667 0.333333 0.636427 Ni\n0.333333 0.666667 0.741078 S\n0.666667 0.333333 0.258922 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ni",
"S"
],
"chemical_system": "Li-Ni-S",
"density": 4.463319070306666,
"density_atomic": 0.07131234607288155,
"volume": 70.11408648496821,
"volume_molar": 8.444737961425844,
"formula_full": "Li1 Ni2 S2",
"formula_reduced": "Li(NiS)2",
"formula_anonymous": "AB2C2",
"energy": -25.69425004,
"energy_per_atom": -5.138850008,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.68825004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0421072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.363000Z",
"spacegroup": 164
},
{
"id": "mp-31208",
"created_at": "2022-09-04T14:46:58.975650Z",
"structure_string": "Li1 In2 Ir1\n1.0\n0.000000 3.272793 3.272793\n3.272793 0.000000 3.272793\n3.272793 3.272793 0.000000\nLi In Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Ir"
],
"chemical_system": "In-Ir-Li",
"density": 10.155754379283836,
"density_atomic": 0.057052461011272614,
"volume": 70.11091071443293,
"volume_molar": 10.555444328352683,
"formula_full": "Li1 In2 Ir1",
"formula_reduced": "LiIn2Ir",
"formula_anonymous": "ABC2",
"energy": -17.50337107,
"energy_per_atom": -4.3758427675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.50337107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.372000Z",
"spacegroup": 225
},
{
"id": "mp-1224383",
"created_at": "2022-09-04T14:46:25.317775Z",
"structure_string": "Hf3 N2\n1.0\n8.018272 -1.594030 0.000000\n8.018272 1.594030 0.000000\n7.701380 0.000000 2.742695\nHf N\n3 2\ndirect\n0.000926 0.000926 0.000926 Hf\n0.223085 0.223085 0.223085 Hf\n0.777106 0.777106 0.777106 Hf\n0.612484 0.612484 0.612484 N\n0.497499 0.497499 0.497499 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.345825383411414,
"density_atomic": 0.07131571138125702,
"volume": 70.11077787992289,
"volume_molar": 8.444339463719801,
"formula_full": "Hf3 N2",
"formula_reduced": "Hf3N2",
"formula_anonymous": "A2B3",
"energy": -54.14535148,
"energy_per_atom": -10.829070296000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.42335148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0220101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.937000Z",
"spacegroup": 160
},
{
"id": "mp-675025",
"created_at": "2022-09-04T14:43:09.013395Z",
"structure_string": "Sb1 Rh1 O4\n1.0\n3.272939 -3.328904 0.000000\n3.272939 3.328904 0.000000\n0.000000 0.000000 3.217264\nSb Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n0.306342 0.306342 0.000000 O\n0.191725 0.808275 0.500000 O\n0.808275 0.191725 0.500000 O\n0.693658 0.693658 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sb",
"density": 6.837297727841615,
"density_atomic": 0.08558455032732545,
"volume": 70.10611117371634,
"volume_molar": 7.0364811604054776,
"formula_full": "Sb1 Rh1 O4",
"formula_reduced": "SbRhO4",
"formula_anonymous": "ABC4",
"energy": -40.49294565,
"energy_per_atom": -6.7488242750000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.74494565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.777000Z",
"spacegroup": 65
},
{
"id": "mp-1226021",
"created_at": "2022-09-04T14:40:18.678141Z",
"structure_string": "Co2 Ni2 Ge2\n1.0\n2.005127 -3.472982 0.000000\n2.005127 3.472982 0.000000\n0.000000 0.000000 5.032543\nCo Ni Ge\n2 2 2\ndirect\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Ge"
],
"chemical_system": "Co-Ge-Ni",
"density": 9.015290629520281,
"density_atomic": 0.08560307054747379,
"volume": 70.09094371997459,
"volume_molar": 7.034958818048751,
"formula_full": "Co2 Ni2 Ge2",
"formula_reduced": "CoNiGe",
"formula_anonymous": "ABC",
"energy": -36.19445909,
"energy_per_atom": -6.032409848333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.19445909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0176629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.583000Z",
"spacegroup": 194
},
{
"id": "mp-977407",
"created_at": "2022-09-04T14:47:30.584947Z",
"structure_string": "Hf2 Re1 Rh1\n1.0\n0.000000 3.272404 3.272404\n3.272404 0.000000 3.272404\n3.272404 3.272404 0.000000\nHf Re Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Re",
"Rh"
],
"chemical_system": "Hf-Re-Rh",
"density": 15.307809781335399,
"density_atomic": 0.05707280939640317,
"volume": 70.08591380560438,
"volume_molar": 10.551680955764422,
"formula_full": "Hf2 Re1 Rh1",
"formula_reduced": "Hf2ReRh",
"formula_anonymous": "ABC2",
"energy": -42.4710554,
"energy_per_atom": -10.61776385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.4710554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.313000Z",
"spacegroup": 225
}
]
}