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=11555",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11553",
"results": [
{
"id": "mp-764163",
"created_at": "2022-09-04T14:44:25.546963Z",
"structure_string": "Li3 Fe1 O4\n1.0\n5.038503 0.051916 0.011531\n8.523691 5.694572 0.059388\n8.514183 4.189174 2.528216\nLi Fe O\n3 1 4\ndirect\n0.006552 0.994638 0.001961 Li\n0.986727 0.493137 0.010607 Li\n0.502009 0.996928 0.499620 Li\n0.504513 0.492353 0.506031 Fe\n0.273762 0.990136 0.238103 O\n0.191714 0.488996 0.279365 O\n0.736394 0.993649 0.773299 O\n0.820597 0.497388 0.727929 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.3346524014691896,
"density_atomic": 0.11420984891407315,
"volume": 70.04649840679568,
"volume_molar": 5.272873414385492,
"formula_full": "Li3 Fe1 O4",
"formula_reduced": "Li3FeO4",
"formula_anonymous": "AB3C4",
"energy": -48.0960801,
"energy_per_atom": -6.0120100125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.0920801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5015693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.496000Z",
"spacegroup": 38
},
{
"id": "mp-309",
"created_at": "2022-09-04T14:45:59.514258Z",
"structure_string": "Th1 Ag2\n1.0\n2.453352 -4.249330 0.000000\n2.453352 4.249330 0.000000\n0.000000 0.000000 3.358948\nTh Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.500000 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Ag"
],
"chemical_system": "Ag-Th",
"density": 10.616828857701595,
"density_atomic": 0.042835876231978896,
"volume": 70.03475273281245,
"volume_molar": 14.058637968293041,
"formula_full": "Th1 Ag2",
"formula_reduced": "ThAg2",
"formula_anonymous": "AB2",
"energy": -13.59731278,
"energy_per_atom": -4.532437593333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.59731278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.543000Z",
"spacegroup": 191
},
{
"id": "mp-1103408",
"created_at": "2022-09-04T14:40:29.507818Z",
"structure_string": "H2 C4 N6\n1.0\n2.251375 -3.833765 0.000000\n2.251375 3.833765 0.000000\n0.000000 0.000000 4.056538\nH C N\n2 4 6\ndirect\n0.601679 0.601679 0.701197 H\n0.398321 0.398321 0.201197 H\n0.331565 0.990139 0.498463 C\n0.990139 0.331565 0.498463 C\n0.668435 0.009861 0.998463 C\n0.009861 0.668435 0.998463 C\n0.332821 0.937359 0.856638 N\n0.937359 0.332821 0.856638 N\n0.667179 0.062641 0.356638 N\n0.062641 0.667179 0.356638 N\n0.714821 0.714821 0.924600 N\n0.285179 0.285179 0.424600 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 3.1799140116408147,
"density_atomic": 0.1713650982565855,
"volume": 70.0259278119303,
"volume_molar": 3.5142166177753587,
"formula_full": "H2 C4 N6",
"formula_reduced": "HC2N3",
"formula_anonymous": "AB2C3",
"energy": -92.54939815,
"energy_per_atom": -7.7124498458333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.38339815,
"band_gap": 4.415,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.223000Z",
"spacegroup": 36
},
{
"id": "mp-1186956",
"created_at": "2022-09-04T14:39:27.048036Z",
"structure_string": "Sc2 Pt1 Rh1\n1.0\n0.000000 3.271447 3.271447\n3.271447 0.000000 3.271447\n3.271447 3.271447 0.000000\nSc Pt Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pt",
"Rh"
],
"chemical_system": "Pt-Rh-Sc",
"density": 9.198578043944396,
"density_atomic": 0.05712291076544197,
"volume": 70.02444284439207,
"volume_molar": 10.542426286237594,
"formula_full": "Sc2 Pt1 Rh1",
"formula_reduced": "Sc2PtRh",
"formula_anonymous": "ABC2",
"energy": -30.55962107,
"energy_per_atom": -7.6399052675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.55962107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.070000Z",
"spacegroup": 225
},
{
"id": "mp-1183823",
"created_at": "2022-09-04T14:43:13.690459Z",
"structure_string": "Dy1 In1 O3\n1.0\n4.121735 0.000000 0.000000\n0.000000 4.121735 0.000000\n0.000000 0.000000 4.121735\nDy In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\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": [
"Dy",
"In",
"O"
],
"chemical_system": "Dy-In-O",
"density": 7.714620905876316,
"density_atomic": 0.07140519442511772,
"volume": 70.02291696360375,
"volume_molar": 8.433757247612272,
"formula_full": "Dy1 In1 O3",
"formula_reduced": "DyInO3",
"formula_anonymous": "ABC3",
"energy": -33.72539924,
"energy_per_atom": -6.7450798480000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.66439924,
"band_gap": 1.5367000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.985000Z",
"spacegroup": 221
},
{
"id": "mp-2465",
"created_at": "2022-09-04T14:42:48.308578Z",
"structure_string": "Dy1 Pt3\n1.0\n4.121723 0.000000 0.000000\n0.000000 4.121723 0.000000\n0.000000 0.000000 4.121723\nDy Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\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": [
"Dy",
"Pt"
],
"chemical_system": "Dy-Pt",
"density": 17.732512540513238,
"density_atomic": 0.057124654475997114,
"volume": 70.02230537220558,
"volume_molar": 10.542104482278157,
"formula_full": "Dy1 Pt3",
"formula_reduced": "DyPt3",
"formula_anonymous": "AB3",
"energy": -26.84934645,
"energy_per_atom": -6.7123366125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.84934645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008069,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.095000Z",
"spacegroup": 221
},
{
"id": "mp-4886",
"created_at": "2022-09-04T14:48:09.610862Z",
"structure_string": "Nd1 Cu1 O2\n1.0\n5.826903 -1.879008 0.000000\n5.826903 1.879008 0.000000\n5.220977 0.000000 3.197634\nNd Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.893946 0.893946 0.893946 O\n0.106054 0.106054 0.106054 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"O"
],
"chemical_system": "Cu-Nd-O",
"density": 5.686554464736678,
"density_atomic": 0.0571261327777595,
"volume": 70.02049334516288,
"volume_molar": 10.541831675230352,
"formula_full": "Nd1 Cu1 O2",
"formula_reduced": "NdCuO2",
"formula_anonymous": "ABC2",
"energy": -29.206437,
"energy_per_atom": -7.30160925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.832437,
"band_gap": 2.4115,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.981000Z",
"spacegroup": 166
},
{
"id": "mp-1218937",
"created_at": "2022-09-04T14:46:06.879259Z",
"structure_string": "Sn1 Pd3\n1.0\n-2.181777 -2.181777 0.000000\n0.000000 2.181777 -2.181777\n5.630282 -3.448505 -5.630282\nSn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.748074 0.251926 0.244222 Pd\n0.500000 0.500000 0.500000 Pd\n0.251926 0.748074 0.755778 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Pd"
],
"chemical_system": "Pd-Sn",
"density": 10.38693842737166,
"density_atomic": 0.05712866661798907,
"volume": 70.01738771092641,
"volume_molar": 10.541364111067328,
"formula_full": "Sn1 Pd3",
"formula_reduced": "SnPd3",
"formula_anonymous": "AB3",
"energy": -20.04180108,
"energy_per_atom": -5.01045027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.04180108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.957000Z",
"spacegroup": 166
},
{
"id": "mp-932",
"created_at": "2022-09-04T14:44:08.412144Z",
"structure_string": "Sc1 Ga3\n1.0\n4.121613 0.000000 0.000000\n0.000000 4.121613 0.000000\n0.000000 0.000000 4.121613\nSc Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Ga"
],
"chemical_system": "Ga-Sc",
"density": 6.0269099870401615,
"density_atomic": 0.057129228325868926,
"volume": 70.01669928366148,
"volume_molar": 10.541260465920015,
"formula_full": "Sc1 Ga3",
"formula_reduced": "ScGa3",
"formula_anonymous": "AB3",
"energy": -17.41944649,
"energy_per_atom": -4.3548616225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.41944649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006952,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.118000Z",
"spacegroup": 221
},
{
"id": "mp-867243",
"created_at": "2022-09-04T14:46:27.256025Z",
"structure_string": "Sc2 Zn1 Os1\n1.0\n0.000000 3.271312 3.271312\n3.271312 0.000000 3.271312\n3.271312 3.271312 0.000000\nSc Zn Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Os"
],
"chemical_system": "Os-Sc-Zn",
"density": 8.195305252260127,
"density_atomic": 0.057129983075755286,
"volume": 70.01577428608608,
"volume_molar": 10.541121204279973,
"formula_full": "Sc2 Zn1 Os1",
"formula_reduced": "Sc2ZnOs",
"formula_anonymous": "ABC2",
"energy": -26.91524505,
"energy_per_atom": -6.7288112625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.91524505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.228000Z",
"spacegroup": 225
},
{
"id": "mp-866299",
"created_at": "2022-09-04T14:45:40.956993Z",
"structure_string": "Er1 Ta1 Os2\n1.0\n0.000000 3.271258 3.271258\n3.271258 0.000000 3.271258\n3.271258 3.271258 0.000000\nEr Ta Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Ta",
"Os"
],
"chemical_system": "Er-Os-Ta",
"density": 17.282387504917285,
"density_atomic": 0.057132812326776194,
"volume": 70.0123070630874,
"volume_molar": 10.540599201656365,
"formula_full": "Er1 Ta1 Os2",
"formula_reduced": "ErTaOs2",
"formula_anonymous": "ABC2",
"energy": -40.00986594,
"energy_per_atom": -10.002466485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.00986594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.593000Z",
"spacegroup": 225
},
{
"id": "mp-902",
"created_at": "2022-09-04T14:39:18.021922Z",
"structure_string": "Ba1 Zn1\n1.0\n4.121492 0.000000 0.000000\n0.000000 4.121492 0.000000\n0.000000 0.000000 4.121492\nBa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Zn"
],
"chemical_system": "Ba-Zn",
"density": 4.808577139868578,
"density_atomic": 0.02856713006236093,
"volume": 70.01053293187233,
"volume_molar": 21.080664199917532,
"formula_full": "Ba1 Zn1",
"formula_reduced": "BaZn",
"formula_anonymous": "AB",
"energy": -3.51347611,
"energy_per_atom": -1.756738055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51347611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001821,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.024000Z",
"spacegroup": 221
}
]
}