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=-id&page=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=51",
"results": [
{
"id": "mp-993",
"created_at": "2022-09-04T14:43:17.375476Z",
"structure_string": "Dy1 Si2\n1.0\n2.047332 -3.546083 0.000000\n2.047332 3.546083 0.000000\n0.000000 0.000000 3.951874\nDy Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"Si"
],
"chemical_system": "Dy-Si",
"density": 6.328051901070081,
"density_atomic": 0.052281856256200986,
"volume": 57.38128319887608,
"volume_molar": 11.51860548043516,
"formula_full": "Dy1 Si2",
"formula_reduced": "DySi2",
"formula_anonymous": "AB2",
"energy": -16.88702747,
"energy_per_atom": -5.629009156666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.02902747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015172,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.844000Z",
"spacegroup": 191
},
{
"id": "mp-9929",
"created_at": "2022-09-04T14:44:00.458429Z",
"structure_string": "Zr2 Cu2 Si2 As2\n1.0\n3.679590 0.000000 0.000000\n0.000000 3.679590 0.000000\n0.000000 0.000000 9.670232\nZr Cu Si As\n2 2 2 2\ndirect\n0.000000 0.500000 0.777869 Zr\n0.500000 0.000000 0.222131 Zr\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.321319 As\n0.500000 0.000000 0.678681 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Si",
"As"
],
"chemical_system": "As-Cu-Si-Zr",
"density": 6.538643711325565,
"density_atomic": 0.0611018322771093,
"volume": 130.92897057028281,
"volume_molar": 9.855908629201757,
"formula_full": "Zr2 Cu2 Si2 As2",
"formula_reduced": "ZrCuSiAs",
"formula_anonymous": "ABCD",
"energy": -50.19754227,
"energy_per_atom": -6.27469278375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.33954227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.39e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.447000Z",
"spacegroup": 129
},
{
"id": "mp-9928",
"created_at": "2022-09-04T14:45:23.116796Z",
"structure_string": "Ca1 Rh1 F6\n1.0\n5.155239 -2.728218 0.000000\n5.155239 2.728218 0.000000\n3.711432 0.000000 4.499438\nCa Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Rh\n0.223113 0.644475 0.900984 F\n0.644475 0.900984 0.223113 F\n0.099016 0.776887 0.355525 F\n0.355525 0.099016 0.776887 F\n0.776887 0.355525 0.099016 F\n0.900984 0.223113 0.644475 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Rh",
"F"
],
"chemical_system": "Ca-F-Rh",
"density": 3.3714909940616677,
"density_atomic": 0.06320826146882591,
"volume": 126.56573387872045,
"volume_molar": 9.527458310129441,
"formula_full": "Ca1 Rh1 F6",
"formula_reduced": "CaRhF6",
"formula_anonymous": "ABC6",
"energy": -42.80264812,
"energy_per_atom": -5.350331015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.03064812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000084,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.143000Z",
"spacegroup": 148
},
{
"id": "mp-9927",
"created_at": "2022-09-04T14:40:19.458929Z",
"structure_string": "Mg1 Rh1 F6\n1.0\n4.803538 -2.582815 0.000000\n4.803538 2.582815 0.000000\n3.414783 0.000000 4.252548\nMg Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Rh\n0.123110 0.367399 0.757053 F\n0.757053 0.123110 0.367399 F\n0.632601 0.242947 0.876890 F\n0.242947 0.876890 0.632601 F\n0.876890 0.632601 0.242947 F\n0.367399 0.757053 0.123110 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Rh",
"F"
],
"chemical_system": "F-Mg-Rh",
"density": 3.7957211986341433,
"density_atomic": 0.07581519150956899,
"volume": 105.5197492838923,
"volume_molar": 7.943184789343858,
"formula_full": "Mg1 Rh1 F6",
"formula_reduced": "MgRhF6",
"formula_anonymous": "ABC6",
"energy": -40.98964154,
"energy_per_atom": -5.1237051925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.21764154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000303,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.178000Z",
"spacegroup": 148
},
{
"id": "mp-9926",
"created_at": "2022-09-04T14:48:07.378021Z",
"structure_string": "Sr1 Rh1 F6\n1.0\n3.178312 -3.680668 0.000000\n3.178312 3.680668 0.000000\n-1.084113 0.000000 4.740642\nSr Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Rh\n0.710103 0.710103 0.070211 F\n0.070211 0.710103 0.710103 F\n0.929789 0.289897 0.289897 F\n0.289897 0.289897 0.929789 F\n0.289897 0.929789 0.289897 F\n0.710103 0.070211 0.710103 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"F"
],
"chemical_system": "F-Rh-Sr",
"density": 4.55899137025067,
"density_atomic": 0.07212729721819452,
"volume": 110.91501149417746,
"volume_molar": 8.349322645186932,
"formula_full": "Sr1 Rh1 F6",
"formula_reduced": "SrRhF6",
"formula_anonymous": "ABC6",
"energy": -42.49916817,
"energy_per_atom": -5.31239602125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.72716817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996882,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.489000Z",
"spacegroup": 166
},
{
"id": "mp-9925",
"created_at": "2022-09-04T14:46:52.604828Z",
"structure_string": "Ca4 Sb2\n1.0\n-2.395770 2.395770 8.373218\n2.395770 -2.395770 8.373218\n2.395770 2.395770 -8.373218\nCa Sb\n4 2\ndirect\n0.825628 0.825628 0.000000 Ca\n0.174372 0.174372 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.635865 0.635865 0.000000 Sb\n0.364135 0.364135 0.000000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.4882467069202248,
"density_atomic": 0.031211067001039334,
"volume": 192.23950273152144,
"volume_molar": 19.29488908469378,
"formula_full": "Ca4 Sb2",
"formula_reduced": "Ca2Sb",
"formula_anonymous": "AB2",
"energy": -21.95039821,
"energy_per_atom": -3.6583997016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.56639821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002024,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.508000Z",
"spacegroup": 139
},
{
"id": "mp-9924",
"created_at": "2022-09-04T14:47:03.395430Z",
"structure_string": "Te1\n1.0\n1.507200 -4.327025 0.000000\n1.507200 4.327025 0.000000\n0.000000 0.000000 2.989988\nTe\n1\ndirect\n0.500000 0.500000 0.000000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 5.433004202924278,
"density_atomic": 0.025641313535257337,
"volume": 38.99956211779008,
"volume_molar": 23.486085265169557,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.01589919,
"energy_per_atom": -3.01589919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01589919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.897000Z",
"spacegroup": 65
},
{
"id": "mp-9923",
"created_at": "2022-09-04T14:43:05.026378Z",
"structure_string": "V2 P4\n1.0\n1.553388 4.227873 0.000000\n-1.553388 4.227873 0.000000\n0.000000 3.496756 6.263359\nV P\n2 4\ndirect\n0.156353 0.156353 0.301971 V\n0.843647 0.843647 0.698029 V\n0.857607 0.857607 0.029855 P\n0.142393 0.142393 0.970145 P\n0.600337 0.600337 0.598887 P\n0.399663 0.399663 0.401113 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"P"
],
"chemical_system": "P-V",
"density": 4.5571322440882245,
"density_atomic": 0.07293098356130155,
"volume": 82.26956098784474,
"volume_molar": 8.257314608870095,
"formula_full": "V2 P4",
"formula_reduced": "VP2",
"formula_anonymous": "AB2",
"energy": -43.48904786,
"energy_per_atom": -7.248174643333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.48904786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.483000Z",
"spacegroup": 12
},
{
"id": "mp-9922",
"created_at": "2022-09-04T14:48:29.366263Z",
"structure_string": "Hf2 S6\n1.0\n3.611567 0.000000 0.000000\n0.000000 5.149210 0.000000\n0.000000 1.180892 9.633923\nHf S\n2 6\ndirect\n0.250000 0.716894 0.643291 Hf\n0.750000 0.283106 0.356709 Hf\n0.250000 0.116487 0.195640 S\n0.750000 0.883513 0.804360 S\n0.750000 0.761366 0.450333 S\n0.250000 0.238634 0.549667 S\n0.750000 0.478186 0.805773 S\n0.250000 0.521814 0.194227 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"S"
],
"chemical_system": "Hf-S",
"density": 5.091838099042705,
"density_atomic": 0.04465298908955747,
"volume": 179.15933878368014,
"volume_molar": 13.486534457798111,
"formula_full": "Hf2 S6",
"formula_reduced": "HfS3",
"formula_anonymous": "AB3",
"energy": -57.32105132,
"energy_per_atom": -7.165131415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.30305132,
"band_gap": 1.1326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016493,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:51.038000Z",
"spacegroup": 11
},
{
"id": "mp-992141",
"created_at": "2022-09-04T14:48:20.508796Z",
"structure_string": "Cs2 I1 Br1 Cl6\n1.0\n0.000000 5.685921 5.685921\n5.685921 0.000000 5.685921\n5.685921 5.685921 0.000000\nCs I Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 Br\n0.228160 0.771840 0.771840 Cl\n0.228160 0.771840 0.228160 Cl\n0.771840 0.228160 0.771840 Cl\n0.771840 0.771840 0.228160 Cl\n0.228160 0.228160 0.771840 Cl\n0.771840 0.228160 0.228160 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"I",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Cs-I",
"density": 3.095430474205742,
"density_atomic": 0.027199914593221183,
"volume": 367.64821322241283,
"volume_molar": 22.140292901878635,
"formula_full": "Cs2 I1 Br1 Cl6",
"formula_reduced": "Cs2IBrCl6",
"formula_anonymous": "ABC2D6",
"energy": -28.22651535,
"energy_per_atom": -2.822651535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.54251535,
"band_gap": 0.8589,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.922000Z",
"spacegroup": 225
},
{
"id": "mp-9921",
"created_at": "2022-09-04T14:41:00.773517Z",
"structure_string": "Zr2 S6\n1.0\n3.658647 0.000000 0.000000\n0.000000 5.201951 0.000000\n0.000000 1.142591 9.683368\nZr S\n2 6\ndirect\n0.250000 0.718427 0.643309 Zr\n0.750000 0.281573 0.356691 Zr\n0.250000 0.117284 0.193771 S\n0.750000 0.882716 0.806229 S\n0.750000 0.761088 0.449361 S\n0.250000 0.238912 0.550639 S\n0.750000 0.483746 0.807234 S\n0.250000 0.516254 0.192766 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 3.3773767276362507,
"density_atomic": 0.043408700420773605,
"volume": 184.2948515494265,
"volume_molar": 13.87311921717438,
"formula_full": "Zr2 S6",
"formula_reduced": "ZrS3",
"formula_anonymous": "AB3",
"energy": -54.51765566,
"energy_per_atom": -6.8147069575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.49965566,
"band_gap": 1.1132999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.242000Z",
"spacegroup": 11
},
{
"id": "mp-992066",
"created_at": "2022-09-04T14:40:03.275295Z",
"structure_string": "In1 Mo6 Se8\n1.0\n-5.593590 0.000000 0.000000\n0.000000 -7.910531 0.000000\n0.000000 3.955266 6.850721\nIn Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 In\n0.560947 0.578916 0.759824 Mo\n0.240176 0.439053 0.578916 Mo\n0.421084 0.759824 0.439053 Mo\n0.439053 0.421084 0.240176 Mo\n0.759824 0.560947 0.421084 Mo\n0.578916 0.240176 0.560947 Mo\n0.385182 0.257051 0.879045 Se\n0.120955 0.614818 0.257051 Se\n0.742949 0.879045 0.614818 Se\n0.614818 0.742949 0.120955 Se\n0.879045 0.385182 0.742949 Se\n0.257051 0.120955 0.385182 Se\n0.243689 0.756311 0.756311 Se\n0.756311 0.243689 0.243689 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"In",
"Mo",
"Se"
],
"chemical_system": "In-Mo-Se",
"density": 7.242580601732434,
"density_atomic": 0.04948330642983288,
"volume": 303.1325326101629,
"volume_molar": 12.170045202091275,
"formula_full": "In1 Mo6 Se8",
"formula_reduced": "In(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -84.19725883999999,
"energy_per_atom": -5.613150589333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.42125884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.551000Z",
"spacegroup": 2
}
]
}