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=nelements&page=104",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=102",
"results": [
{
"id": "mp-1351349",
"created_at": "2022-09-04T14:40:07.255787Z",
"structure_string": "Bi16 O32\n1.0\n6.166278 0.000000 0.000000\n-2.137920 5.791674 0.000000\n-2.716292 -2.394739 21.978295\nBi O\n16 32\ndirect\n0.771421 0.361239 0.124584 Bi\n0.454374 0.308913 0.263232 Bi\n0.263714 0.853944 0.124441 Bi\n0.685506 0.315413 0.502908 Bi\n0.110827 0.273105 0.383675 Bi\n0.849489 0.893016 0.243876 Bi\n0.314987 0.926737 0.746249 Bi\n0.607485 0.772399 0.382557 Bi\n0.753636 0.867650 0.625623 Bi\n0.179072 0.825475 0.504769 Bi\n0.252902 0.370618 0.624767 Bi\n0.875283 0.994905 0.872818 Bi\n0.375431 0.500195 0.872980 Bi\n0.825893 0.424332 0.745805 Bi\n0.039191 0.454920 0.992028 Bi\n0.482845 0.000476 0.980731 Bi\n0.364697 0.692252 0.047402 O\n0.128401 0.541578 0.168915 O\n0.856494 0.183538 0.047339 O\n0.915206 0.647583 0.062464 O\n0.623017 0.058713 0.180572 O\n0.753656 0.624836 0.315660 O\n0.654284 0.556225 0.185503 O\n0.488830 0.453095 0.428641 O\n0.188829 0.062753 0.314538 O\n0.413802 0.164154 0.077473 O\n0.288224 0.539789 0.321912 O\n0.129167 0.031868 0.185490 O\n0.353533 0.181089 0.546771 O\n0.961330 0.959779 0.436025 O\n0.021100 0.482069 0.452117 O\n0.118530 0.035567 0.672960 O\n0.875961 0.690734 0.554838 O\n0.731938 0.084623 0.331514 O\n0.871164 0.181025 0.581709 O\n0.466742 0.941692 0.447388 O\n0.642985 0.546296 0.670393 O\n0.995725 0.787312 0.788282 O\n0.632514 0.049968 0.697308 O\n0.660476 0.776820 0.939201 O\n0.495354 0.291490 0.784276 O\n0.394963 0.707529 0.576009 O\n0.496409 0.829924 0.822336 O\n0.148313 0.566038 0.700462 O\n0.206832 0.247414 0.947703 O\n0.164566 0.683371 0.924215 O\n0.009041 0.300548 0.814335 O\n0.742050 0.260428 0.924828 O\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.156943067448976,
"density_atomic": 0.06115331863554138,
"volume": 784.9124310990888,
"volume_molar": 9.847610717401071,
"formula_full": "Bi16 O32",
"formula_reduced": "BiO2",
"formula_anonymous": "AB2",
"energy": -286.52294137,
"energy_per_atom": -5.969227945208334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.53894137,
"band_gap": 0.0301,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.940000Z",
"spacegroup": 1
},
{
"id": "mp-1187947",
"created_at": "2022-09-04T14:39:17.630634Z",
"structure_string": "Yb3 Al1\n1.0\n0.000000 3.911690 3.911690\n3.911690 0.000000 3.911690\n3.911690 3.911690 0.000000\nYb Al\n3 1\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Al"
],
"chemical_system": "Al-Yb",
"density": 7.575289114199674,
"density_atomic": 0.03341463382514723,
"volume": 119.70803034775963,
"volume_molar": 18.022465221414006,
"formula_full": "Yb3 Al1",
"formula_reduced": "Yb3Al",
"formula_anonymous": "AB3",
"energy": -8.51911548,
"energy_per_atom": -2.12977887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.51911548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0165095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.518000Z",
"spacegroup": 225
},
{
"id": "mp-632656",
"created_at": "2022-09-04T14:39:15.205931Z",
"structure_string": "Ho6 H18\n1.0\n3.139150 -5.437167 0.000000\n3.139150 5.437167 0.000000\n0.000000 0.000000 6.546724\nHo H\n6 18\ndirect\n0.663340 0.000000 0.750000 Ho\n0.336660 0.336660 0.750000 Ho\n0.000000 0.663340 0.750000 Ho\n0.663340 0.663340 0.250000 Ho\n0.000000 0.336660 0.250000 Ho\n0.336660 0.000000 0.250000 Ho\n0.321060 0.971998 0.907776 H\n0.650939 0.678940 0.907776 H\n0.028002 0.349061 0.907776 H\n0.321060 0.349061 0.407776 H\n0.028002 0.678940 0.407776 H\n0.650939 0.971998 0.407776 H\n0.678940 0.028002 0.092224 H\n0.349061 0.321060 0.092224 H\n0.971998 0.650939 0.092224 H\n0.678940 0.650939 0.592224 H\n0.971998 0.321060 0.592224 H\n0.349061 0.028002 0.592224 H\n0.000000 0.000000 0.750000 H\n0.000000 0.000000 0.250000 H\n0.666667 0.333333 0.818910 H\n0.666667 0.333333 0.318910 H\n0.333333 0.666667 0.181090 H\n0.333333 0.666667 0.681090 H\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ho",
"H"
],
"chemical_system": "H-Ho",
"density": 7.487766500499283,
"density_atomic": 0.10739213420902219,
"volume": 223.4800544450277,
"volume_molar": 5.607618103835086,
"formula_full": "Ho6 H18",
"formula_reduced": "HoH3",
"formula_anonymous": "AB3",
"energy": -106.1757763,
"energy_per_atom": -4.423990679166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.95377630000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036194,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.493000Z",
"spacegroup": 165
},
{
"id": "mp-557259",
"created_at": "2022-09-04T14:39:15.244415Z",
"structure_string": "Mo4 F24\n1.0\n5.211086 0.000000 0.000000\n0.000000 9.010948 0.000000\n0.000000 0.000000 10.077573\nMo F\n4 24\ndirect\n0.068170 0.250000 0.866073 Mo\n0.568170 0.750000 0.633927 Mo\n0.931830 0.750000 0.133927 Mo\n0.431830 0.250000 0.366073 Mo\n0.199866 0.750000 0.010933 F\n0.399490 0.896860 0.731324 F\n0.100510 0.603140 0.231324 F\n0.300134 0.750000 0.510933 F\n0.665097 0.750000 0.258016 F\n0.899490 0.396860 0.768676 F\n0.165097 0.250000 0.241984 F\n0.399490 0.603140 0.731324 F\n0.834903 0.750000 0.758016 F\n0.262058 0.103840 0.463903 F\n0.600510 0.396860 0.268676 F\n0.737942 0.896160 0.536097 F\n0.334903 0.250000 0.741984 F\n0.100510 0.896860 0.231324 F\n0.262058 0.396160 0.463903 F\n0.237942 0.103840 0.963903 F\n0.699866 0.250000 0.489067 F\n0.800134 0.250000 0.989067 F\n0.899490 0.103140 0.768676 F\n0.237942 0.396160 0.963903 F\n0.762058 0.603840 0.036097 F\n0.762058 0.896160 0.036097 F\n0.737942 0.603840 0.536097 F\n0.600510 0.103140 0.268676 F\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mo",
"F"
],
"chemical_system": "F-Mo",
"density": 2.946658353191554,
"density_atomic": 0.059170243234941265,
"volume": 473.2108314786412,
"volume_molar": 10.177650844003628,
"formula_full": "Mo4 F24",
"formula_reduced": "MoF6",
"formula_anonymous": "AB6",
"energy": -161.79959183,
"energy_per_atom": -5.7785568510714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.90359183,
"band_gap": 4.182799999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0098315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.076000Z",
"spacegroup": 62
},
{
"id": "mp-977128",
"created_at": "2022-09-04T14:40:25.879262Z",
"structure_string": "Na1 Ru3\n1.0\n-1.936642 1.936642 3.930088\n1.936642 -1.936642 3.930088\n1.936642 1.936642 -3.930088\nNa Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ru"
],
"chemical_system": "Na-Ru",
"density": 9.186959215817277,
"density_atomic": 0.06784206094966377,
"volume": 58.960472957445205,
"volume_molar": 8.876706685647713,
"formula_full": "Na1 Ru3",
"formula_reduced": "NaRu3",
"formula_anonymous": "AB3",
"energy": -25.87763542,
"energy_per_atom": -6.469408855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.87763542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8219936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.587000Z",
"spacegroup": 139
},
{
"id": "mp-22575",
"created_at": "2022-09-04T14:39:17.453984Z",
"structure_string": "Sc12 As8\n1.0\n3.844194 0.000000 0.000000\n0.000000 10.332235 0.000000\n0.000000 0.000000 10.455265\nSc As\n12 8\ndirect\n0.250000 0.132397 0.048646 Sc\n0.750000 0.867603 0.951354 Sc\n0.250000 0.367603 0.548646 Sc\n0.750000 0.632397 0.451354 Sc\n0.250000 0.063644 0.372140 Sc\n0.750000 0.936356 0.627860 Sc\n0.250000 0.436356 0.872140 Sc\n0.750000 0.563644 0.127860 Sc\n0.250000 0.796464 0.223119 Sc\n0.750000 0.203536 0.776881 Sc\n0.250000 0.703536 0.723119 Sc\n0.750000 0.296464 0.276881 Sc\n0.250000 0.494646 0.313097 As\n0.750000 0.505354 0.686903 As\n0.250000 0.005354 0.813097 As\n0.750000 0.994646 0.186903 As\n0.250000 0.820942 0.486505 As\n0.750000 0.179058 0.513495 As\n0.250000 0.679058 0.986505 As\n0.750000 0.320942 0.013495 As\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"As"
],
"chemical_system": "As-Sc",
"density": 4.553848949653526,
"density_atomic": 0.048160987016088515,
"volume": 415.2738811876688,
"volume_molar": 12.504188832318286,
"formula_full": "Sc12 As8",
"formula_reduced": "Sc3As2",
"formula_anonymous": "A2B3",
"energy": -136.34364098,
"energy_per_atom": -6.817182049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.34364098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4337898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.779000Z",
"spacegroup": 62
},
{
"id": "mp-1106211",
"created_at": "2022-09-04T14:39:26.132902Z",
"structure_string": "As8 O12\n1.0\n0.000000 0.000000 -5.269533\n0.000000 -7.496494 0.000000\n-13.152110 0.000000 0.000000\nAs O\n8 12\ndirect\n0.009342 0.612412 0.115592 As\n0.009342 0.387588 0.884408 As\n0.509342 0.387588 0.115592 As\n0.509342 0.612412 0.884408 As\n0.941199 0.886840 0.384162 As\n0.941199 0.113160 0.615838 As\n0.441199 0.113160 0.384162 As\n0.441199 0.886840 0.615838 As\n0.392322 0.500000 0.000000 O\n0.892322 0.500000 0.000000 O\n0.556732 0.000000 0.500000 O\n0.056732 0.000000 0.500000 O\n0.240214 0.943064 0.322186 O\n0.240214 0.056935 0.677814 O\n0.740214 0.056935 0.322186 O\n0.740214 0.943064 0.677814 O\n0.204218 0.436493 0.175738 O\n0.204218 0.563507 0.824262 O\n0.704218 0.563507 0.175738 O\n0.704218 0.436493 0.824262 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"O"
],
"chemical_system": "As-O",
"density": 2.529300946605529,
"density_atomic": 0.03849499227695398,
"volume": 519.5480974800329,
"volume_molar": 15.643958873074796,
"formula_full": "As8 O12",
"formula_reduced": "As2O3",
"formula_anonymous": "A2B3",
"energy": -127.77287098,
"energy_per_atom": -6.388643548999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.52887098,
"band_gap": 3.0503,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.224000Z",
"spacegroup": 56
},
{
"id": "mp-1944",
"created_at": "2022-09-04T14:40:07.480868Z",
"structure_string": "Co4 P12\n1.0\n-3.860499 3.860499 3.860499\n3.860499 -3.860499 3.860499\n3.860499 3.860499 -3.860499\nCo P\n4 12\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.853879 0.651966 0.505845 P\n0.853879 0.348034 0.201913 P\n0.146121 0.651966 0.798087 P\n0.348034 0.494155 0.146121 P\n0.146121 0.348034 0.494155 P\n0.651966 0.798087 0.146121 P\n0.201913 0.853879 0.348034 P\n0.651966 0.505845 0.853879 P\n0.798087 0.146121 0.651966 P\n0.348034 0.201913 0.853879 P\n0.505845 0.853879 0.651966 P\n0.494155 0.146121 0.348034 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"P"
],
"chemical_system": "Co-P",
"density": 4.382746750446,
"density_atomic": 0.0695231847804068,
"volume": 230.13905433902332,
"volume_molar": 8.662061122518045,
"formula_full": "Co4 P12",
"formula_reduced": "CoP3",
"formula_anonymous": "AB3",
"energy": -101.35062912,
"energy_per_atom": -6.33441432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.35062912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0310147,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.226000Z",
"spacegroup": 204
},
{
"id": "mp-1395",
"created_at": "2022-09-04T14:40:07.474919Z",
"structure_string": "V1 Ru1\n1.0\n3.014694 0.000000 0.000000\n0.000000 3.014694 0.000000\n0.000000 0.000000 3.014694\nV Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Ru"
],
"chemical_system": "Ru-V",
"density": 9.21288886283982,
"density_atomic": 0.07299620562579923,
"volume": 27.39868439535897,
"volume_molar": 8.24993670338336,
"formula_full": "V1 Ru1",
"formula_reduced": "VRu",
"formula_anonymous": "AB",
"energy": -18.82570789,
"energy_per_atom": -9.412853945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82570789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.647887,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.112000Z",
"spacegroup": 221
},
{
"id": "mp-867317",
"created_at": "2022-09-04T14:39:26.229609Z",
"structure_string": "Cu6 Si2\n1.0\n2.604007 -4.510273 0.000000\n2.604007 4.510273 0.000000\n0.000000 0.000000 4.078094\nCu Si\n6 2\ndirect\n0.168097 0.336194 0.250000 Cu\n0.663806 0.831903 0.250000 Cu\n0.168097 0.831903 0.250000 Cu\n0.831903 0.663806 0.750000 Cu\n0.336194 0.168097 0.750000 Cu\n0.831903 0.168097 0.750000 Cu\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"Si"
],
"chemical_system": "Cu-Si",
"density": 7.583022333041316,
"density_atomic": 0.08351371094844331,
"volume": 95.79265379476134,
"volume_molar": 7.210960561575011,
"formula_full": "Cu6 Si2",
"formula_reduced": "Cu3Si",
"formula_anonymous": "AB3",
"energy": -35.77738588,
"energy_per_atom": -4.472173235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.91938588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.398000Z",
"spacegroup": 194
},
{
"id": "mp-1200692",
"created_at": "2022-09-04T14:39:17.461514Z",
"structure_string": "Si17 C17\n1.0\n-1.547270 -2.679950 0.000000\n1.547270 -2.679950 0.000000\n0.000000 -1.786634 43.017268\nSi C\n17 17\ndirect\n0.000009 0.000009 0.999972 Si\n0.960798 0.960798 0.117607 Si\n0.882387 0.882387 0.352838 Si\n0.843130 0.843130 0.470609 Si\n0.764719 0.764719 0.705843 Si\n0.725499 0.725499 0.823503 Si\n0.647085 0.647085 0.058744 Si\n0.588228 0.588228 0.235316 Si\n0.529420 0.529420 0.411740 Si\n0.470598 0.470598 0.588206 Si\n0.411786 0.411786 0.764643 Si\n0.352928 0.352928 0.941216 Si\n0.274523 0.274523 0.176432 Si\n0.235298 0.235298 0.294107 Si\n0.156891 0.156891 0.529328 Si\n0.117631 0.117631 0.647107 Si\n0.039224 0.039224 0.882329 Si\n0.985319 0.985319 0.044044 C\n0.946092 0.946092 0.161724 C\n0.867685 0.867685 0.396944 C\n0.828424 0.828424 0.514727 C\n0.750014 0.750014 0.749957 C\n0.710792 0.710792 0.867623 C\n0.632340 0.632340 0.102979 C\n0.573486 0.573486 0.279541 C\n0.514676 0.514676 0.455971 C\n0.455850 0.455850 0.632449 C\n0.397043 0.397043 0.808871 C\n0.338188 0.338188 0.985435 C\n0.259818 0.259818 0.220547 C\n0.220594 0.220594 0.338219 C\n0.142183 0.142183 0.573450 C\n0.102926 0.102926 0.691222 C\n0.024514 0.024514 0.926458 C\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Si",
"C"
],
"chemical_system": "C-Si",
"density": 3.172748278034281,
"density_atomic": 0.09530447639912479,
"volume": 356.7513435319837,
"volume_molar": 6.318843550202122,
"formula_full": "Si17 C17",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy": -254.9628363,
"energy_per_atom": -7.498906949999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.9628363,
"band_gap": 1.9692999999999987,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.442000Z",
"spacegroup": 160
},
{
"id": "mp-13446",
"created_at": "2022-09-04T14:39:17.462553Z",
"structure_string": "Co6 P3\n1.0\n2.863159 -4.959137 0.000000\n2.863159 4.959137 0.000000\n0.000000 0.000000 3.407916\nCo P\n6 3\ndirect\n0.601799 0.000000 0.500000 Co\n0.398201 0.398201 0.500000 Co\n0.000000 0.601799 0.500000 Co\n0.000000 0.258706 0.000000 Co\n0.741294 0.741294 0.000000 Co\n0.258706 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Co",
"P"
],
"chemical_system": "Co-P",
"density": 7.661609400756136,
"density_atomic": 0.09299766828127962,
"volume": 96.77661995544565,
"volume_molar": 6.4755825294302065,
"formula_full": "Co6 P3",
"formula_reduced": "Co2P",
"formula_anonymous": "AB2",
"energy": -63.40079669,
"energy_per_atom": -7.044532965555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.40079669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1820386,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.079000Z",
"spacegroup": 189
}
]
}