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=-formation_energy&page=11458",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=11456",
"results": [
{
"id": "mp-776559",
"created_at": "2022-09-04T14:47:19.902607Z",
"structure_string": "Ba8 Li32 Ni8 O32\n1.0\n15.306252 0.000000 0.000000\n0.000000 5.737190 0.000000\n0.000000 3.520941 10.701057\nBa Li Ni O\n8 32 8 32\ndirect\n0.794857 0.621898 0.760898 Ba\n0.560576 0.070954 0.330628 Ba\n0.294857 0.378102 0.739102 Ba\n0.060576 0.929046 0.169372 Ba\n0.939424 0.070954 0.830628 Ba\n0.705143 0.621898 0.260898 Ba\n0.439424 0.929046 0.669372 Ba\n0.205143 0.378102 0.239102 Ba\n0.928993 0.923704 0.544470 Li\n0.158785 0.809935 0.618045 Li\n0.658476 0.445086 0.009284 Li\n0.613002 0.674599 0.627189 Li\n0.926181 0.382081 0.027154 Li\n0.471231 0.339278 0.074635 Li\n0.371671 0.090953 0.224696 Li\n0.113002 0.325401 0.872811 Li\n0.737139 0.895088 0.481866 Li\n0.841524 0.445086 0.509284 Li\n0.658785 0.190065 0.881955 Li\n0.237139 0.104912 0.018134 Li\n0.871671 0.909047 0.275304 Li\n0.573819 0.382081 0.527154 Li\n0.428993 0.076296 0.955530 Li\n0.028769 0.339278 0.574635 Li\n0.971231 0.660722 0.425365 Li\n0.571007 0.923704 0.044470 Li\n0.426181 0.617919 0.472846 Li\n0.128329 0.090953 0.724696 Li\n0.762861 0.895088 0.981866 Li\n0.341215 0.809935 0.118045 Li\n0.158476 0.554914 0.490716 Li\n0.262861 0.104912 0.518134 Li\n0.886998 0.674599 0.127189 Li\n0.628329 0.909047 0.775304 Li\n0.528769 0.660722 0.925365 Li\n0.073819 0.617919 0.972846 Li\n0.386998 0.325401 0.372811 Li\n0.341524 0.554914 0.990716 Li\n0.841215 0.190065 0.381955 Li\n0.071007 0.076296 0.455530 Li\n0.020655 0.631489 0.707130 Ni\n0.779652 0.197667 0.123557 Ni\n0.520655 0.368511 0.792870 Ni\n0.279652 0.802333 0.376443 Ni\n0.720348 0.197667 0.623557 Ni\n0.479345 0.631489 0.207130 Ni\n0.220348 0.802333 0.876443 Ni\n0.979345 0.368511 0.292870 Ni\n0.201571 0.447871 0.967910 O\n0.626715 0.549606 0.823535 O\n0.992326 0.460012 0.878355 O\n0.430005 0.457575 0.897068 O\n0.930005 0.542425 0.602932 O\n0.963117 0.012863 0.366407 O\n0.750962 0.050603 0.304808 O\n0.492326 0.539988 0.621645 O\n0.386974 0.969770 0.415197 O\n0.126715 0.450394 0.676465 O\n0.701571 0.552129 0.532090 O\n0.178998 0.937958 0.439739 O\n0.678998 0.062042 0.060261 O\n0.886974 0.030230 0.084803 O\n0.250962 0.949397 0.195192 O\n0.463117 0.987137 0.133593 O\n0.536883 0.012863 0.866407 O\n0.749038 0.050603 0.804808 O\n0.113026 0.969770 0.915197 O\n0.321002 0.937958 0.939739 O\n0.821002 0.062042 0.560261 O\n0.298429 0.447871 0.467910 O\n0.873285 0.549606 0.323535 O\n0.613026 0.030230 0.584803 O\n0.507674 0.460012 0.378355 O\n0.249038 0.949397 0.695192 O\n0.036883 0.987137 0.633593 O\n0.069995 0.457575 0.397068 O\n0.569995 0.542425 0.102932 O\n0.007674 0.539988 0.121645 O\n0.373285 0.450394 0.176465 O\n0.798429 0.552129 0.032090 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Ni",
"O"
],
"chemical_system": "Ba-Li-Ni-O",
"density": 4.068252889711741,
"density_atomic": 0.085132466789401,
"volume": 939.711992580955,
"volume_molar": 7.073847366478232,
"formula_full": "Ba8 Li32 Ni8 O32",
"formula_reduced": "BaLi4NiO4",
"formula_anonymous": "ABC4D4",
"energy": -440.44758366,
"energy_per_atom": -5.50559479575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -398.13558366,
"band_gap": 2.6893,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.999876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.118000Z",
"spacegroup": 14
},
{
"id": "mp-559768",
"created_at": "2022-09-04T14:47:19.738814Z",
"structure_string": "La8 Ti8 O28\n1.0\n5.597527 0.000000 0.000000\n0.000000 7.817180 0.000000\n0.000000 1.961199 13.072791\nLa Ti O\n8 8 28\ndirect\n0.351360 0.852784 0.579337 La\n0.851360 0.147216 0.420663 La\n0.305679 0.351007 0.610598 La\n0.262205 0.227198 0.095692 La\n0.255141 0.720443 0.116445 La\n0.805679 0.648993 0.389402 La\n0.755141 0.279557 0.883555 La\n0.762205 0.772802 0.904308 La\n0.800751 0.582697 0.674543 Ti\n0.767934 0.968130 0.119246 Ti\n0.266468 0.527253 0.879039 Ti\n0.795393 0.075720 0.678196 Ti\n0.267934 0.031870 0.880754 Ti\n0.766468 0.472747 0.120961 Ti\n0.300751 0.417303 0.325457 Ti\n0.295393 0.924280 0.321804 Ti\n0.574862 0.122411 0.569832 O\n0.074862 0.877589 0.430168 O\n0.713115 0.826242 0.694840 O\n0.952339 0.028389 0.814774 O\n0.085794 0.403701 0.439026 O\n0.184312 0.272871 0.908633 O\n0.461662 0.107135 0.772974 O\n0.056915 0.085594 0.592673 O\n0.523126 0.473212 0.978691 O\n0.023126 0.526788 0.021309 O\n0.074051 0.617337 0.604226 O\n0.452339 0.971611 0.185226 O\n0.329829 0.672228 0.308166 O\n0.522133 0.037239 0.980857 O\n0.947868 0.562989 0.816422 O\n0.684312 0.727129 0.091367 O\n0.961662 0.892865 0.227026 O\n0.574051 0.382663 0.395774 O\n0.804963 0.223103 0.108064 O\n0.955202 0.493382 0.230168 O\n0.022133 0.962761 0.019143 O\n0.829829 0.327772 0.691834 O\n0.447868 0.437011 0.183578 O\n0.556915 0.914406 0.407327 O\n0.585794 0.596299 0.560974 O\n0.304963 0.776897 0.891936 O\n0.213115 0.173758 0.305160 O\n0.455202 0.506618 0.769832 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"La",
"Ti",
"O"
],
"chemical_system": "La-O-Ti",
"density": 5.6379359449275785,
"density_atomic": 0.07691978278639564,
"volume": 572.024496249384,
"volume_molar": 7.829118260413369,
"formula_full": "La8 Ti8 O28",
"formula_reduced": "La2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy": -407.67120386,
"energy_per_atom": -9.265254633181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.43520386,
"band_gap": 2.8424,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.520000Z",
"spacegroup": 4
},
{
"id": "mp-10063",
"created_at": "2022-09-04T14:47:19.745615Z",
"structure_string": "Cd2 Sn2 Sb4\n1.0\n-3.322092 3.322092 6.568412\n3.322092 -3.322092 6.568412\n3.322092 3.322092 -6.568412\nCd Sn Sb\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.122926 0.125000 0.497926 Sb\n0.875000 0.372926 0.997926 Sb\n0.375000 0.877074 0.002074 Sb\n0.627074 0.625000 0.502074 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Sn",
"Sb"
],
"chemical_system": "Cd-Sb-Sn",
"density": 5.43626545738967,
"density_atomic": 0.027589656860186895,
"volume": 289.96373679240486,
"volume_molar": 21.827530478243162,
"formula_full": "Cd2 Sn2 Sb4",
"formula_reduced": "CdSnSb2",
"formula_anonymous": "ABC2",
"energy": -27.46446784,
"energy_per_atom": -3.43305848,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.69646784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.763000Z",
"spacegroup": 122
},
{
"id": "mp-769500",
"created_at": "2022-09-04T14:47:19.747166Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.106422 0.000000 0.000000\n-1.476481 7.988268 0.000000\n-3.109670 -3.735917 9.121753\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.267274 0.226228 0.245611 Na\n0.975425 0.514880 0.245026 Na\n0.024575 0.485120 0.754974 Na\n0.732726 0.773772 0.754389 Na\n0.931015 0.180419 0.343549 Mn\n0.443618 0.693937 0.339329 Mn\n0.556382 0.306063 0.660671 Mn\n0.068985 0.819581 0.656451 Mn\n0.200695 0.948246 0.430054 P\n0.696677 0.448655 0.433009 P\n0.303323 0.551345 0.566991 P\n0.799305 0.051754 0.569946 P\n0.774669 0.031258 0.077600 C\n0.280798 0.524877 0.075600 C\n0.719202 0.475123 0.924400 C\n0.225331 0.968742 0.922400 C\n0.305528 0.045878 0.056453 O\n0.802198 0.560745 0.056532 O\n0.422320 0.668323 0.137115 O\n0.921178 0.174621 0.144273 O\n0.727947 0.982966 0.174811 O\n0.236007 0.482413 0.178636 O\n0.271383 0.827570 0.325470 O\n0.090264 0.033109 0.331166 O\n0.785895 0.342399 0.335946 O\n0.581925 0.525257 0.330354 O\n0.158204 0.404168 0.423467 O\n0.569649 0.321854 0.472777 O\n0.071696 0.820924 0.469164 O\n0.652304 0.908728 0.428741 O\n0.347696 0.091272 0.571259 O\n0.430351 0.678146 0.527223 O\n0.928304 0.179076 0.530836 O\n0.841796 0.595832 0.576533 O\n0.214105 0.657601 0.664054 O\n0.418075 0.474743 0.669646 O\n0.728617 0.172430 0.674530 O\n0.909736 0.966891 0.668834 O\n0.763993 0.517587 0.821364 O\n0.272053 0.017034 0.825189 O\n0.577680 0.331677 0.862885 O\n0.078822 0.825379 0.855727 O\n0.694472 0.954122 0.943547 O\n0.197802 0.439255 0.943468 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.618987912250196,
"density_atomic": 0.0744890667813454,
"volume": 590.6907134325799,
"volume_molar": 8.084596867990497,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.49720471,
"energy_per_atom": -7.602209197954545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.58920471,
"band_gap": 0.9376,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0026107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.124000Z",
"spacegroup": 2
},
{
"id": "mp-1147752",
"created_at": "2022-09-04T14:47:19.762321Z",
"structure_string": "K1 La1 Cu2 O4\n1.0\n3.945646 0.000000 0.000000\n0.000000 3.945646 0.000000\n0.000000 0.000000 7.345171\nK La Cu O\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.733847 Cu\n0.500000 0.500000 0.266153 Cu\n0.000000 0.500000 0.713432 O\n0.500000 0.000000 0.713432 O\n0.000000 0.500000 0.286568 O\n0.500000 0.000000 0.286568 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"La",
"Cu",
"O"
],
"chemical_system": "Cu-K-La-O",
"density": 5.359782845590583,
"density_atomic": 0.0699603284672043,
"volume": 114.35052086340912,
"volume_molar": 8.60793665773458,
"formula_full": "K1 La1 Cu2 O4",
"formula_reduced": "KLa(CuO2)2",
"formula_anonymous": "ABC2D4",
"energy": -49.95449097,
"energy_per_atom": -6.24431137125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.20649097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.02916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.324000Z",
"spacegroup": 123
},
{
"id": "mp-1282931",
"created_at": "2022-09-04T14:47:19.775524Z",
"structure_string": "Li10 V4 Ni6 O20\n1.0\n-1.073573 4.993812 -0.197561\n-2.671725 2.270888 6.933915\n10.196550 0.312628 0.212900\nLi V Ni O\n10 4 6 20\ndirect\n0.995967 0.501807 0.249528 Li\n0.995612 0.502151 0.749897 Li\n0.504616 0.396949 0.107458 Li\n0.504737 0.397003 0.607652 Li\n0.504122 0.600602 0.395165 Li\n0.504425 0.600654 0.895285 Li\n0.508625 0.797991 0.201811 Li\n0.508395 0.798199 0.701947 Li\n0.492353 0.201469 0.298349 Li\n0.492787 0.201107 0.798322 Li\n0.018794 0.690863 0.050251 V\n0.018391 0.690505 0.550312 V\n0.986674 0.302322 0.448708 V\n0.986268 0.302592 0.948649 V\n0.500095 0.999905 0.498974 Ni\n0.499743 0.000391 0.998992 Ni\n0.993937 0.899990 0.348445 Ni\n0.993839 0.899931 0.848019 Ni\n0.001395 0.101793 0.151964 Ni\n0.001135 0.101770 0.651740 Ni\n0.233319 0.839606 0.024413 O\n0.232928 0.839782 0.524458 O\n0.758705 0.153853 0.475549 O\n0.758930 0.153857 0.975354 O\n0.768180 0.928608 0.162931 O\n0.767571 0.929003 0.663183 O\n0.235201 0.061820 0.331946 O\n0.234626 0.061989 0.832098 O\n0.781163 0.550315 0.068516 O\n0.781032 0.550316 0.568592 O\n0.221044 0.467418 0.435503 O\n0.221075 0.467252 0.935474 O\n0.234923 0.248643 0.109445 O\n0.235295 0.248237 0.609099 O\n0.763775 0.753050 0.391236 O\n0.764163 0.752945 0.890986 O\n0.230065 0.658562 0.210555 O\n0.229842 0.658692 0.710520 O\n0.768250 0.343878 0.289397 O\n0.768003 0.344180 0.789276 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 4.3308073560052645,
"density_atomic": 0.11035674742477852,
"volume": 362.46084569740367,
"volume_molar": 5.456975581946013,
"formula_full": "Li10 V4 Ni6 O20",
"formula_reduced": "Li5V2Ni3O10",
"formula_anonymous": "A2B3C5D10",
"energy": -271.01235521,
"energy_per_atom": -6.77530888025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.22635521,
"band_gap": 1.3277,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0081975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.716000Z",
"spacegroup": 1
},
{
"id": "mp-7791",
"created_at": "2022-09-04T14:47:19.776334Z",
"structure_string": "Li4 Ge2 F12\n1.0\n4.664597 0.000000 0.000000\n0.000000 4.664597 0.000000\n0.000000 0.000000 8.967276\nLi Ge F\n4 2 12\ndirect\n0.000000 0.000000 0.338129 Li\n0.500000 0.500000 0.838129 Li\n0.500000 0.500000 0.161871 Li\n0.000000 0.000000 0.661871 Li\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.220883 0.779117 0.500000 F\n0.688945 0.688945 0.649838 F\n0.279117 0.279117 0.000000 F\n0.720883 0.720883 0.000000 F\n0.779117 0.220883 0.500000 F\n0.188945 0.811055 0.850162 F\n0.311055 0.311055 0.350162 F\n0.688945 0.688945 0.350162 F\n0.811055 0.188945 0.850162 F\n0.811055 0.188945 0.149838 F\n0.188945 0.811055 0.149838 F\n0.311055 0.311055 0.649838 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Ge",
"F"
],
"chemical_system": "F-Ge-Li",
"density": 3.4129629657846,
"density_atomic": 0.09225368248986869,
"volume": 195.11416253737906,
"volume_molar": 6.527805283720086,
"formula_full": "Li4 Ge2 F12",
"formula_reduced": "Li2GeF6",
"formula_anonymous": "AB2C6",
"energy": -94.14497243,
"energy_per_atom": -5.230276246111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.60097243,
"band_gap": 5.5194,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.2e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.997000Z",
"spacegroup": 136
},
{
"id": "mp-1206838",
"created_at": "2022-09-04T14:47:19.781482Z",
"structure_string": "Tm2 Ga1 Co2\n1.0\n-3.997348 0.000000 0.000000\n0.000000 -5.408156 0.000000\n1.998674 2.704078 4.106463\nTm Ga Co\n2 1 2\ndirect\n0.794217 0.294217 0.588434 Tm\n0.205783 0.705783 0.411566 Tm\n0.000000 0.000000 0.000000 Ga\n0.500000 0.282836 0.000000 Co\n0.500000 0.717164 0.000000 Co\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tm",
"density": 9.828740428055568,
"density_atomic": 0.056322369984098335,
"volume": 88.77467339196957,
"volume_molar": 10.69227158178935,
"formula_full": "Tm2 Ga1 Co2",
"formula_reduced": "Tm2GaCo2",
"formula_anonymous": "AB2C2",
"energy": -28.47372755,
"energy_per_atom": -5.69474551,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.47372755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.487000Z",
"spacegroup": 71
},
{
"id": "mp-568664",
"created_at": "2022-09-04T14:47:19.794421Z",
"structure_string": "Ca2 Ag2 Bi2\n1.0\n2.453228 -4.249116 0.000000\n2.453228 4.249116 0.000000\n0.000000 0.000000 7.842937\nCa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.022848 Ca\n0.000000 0.000000 0.522848 Ca\n0.333333 0.666667 0.338098 Ag\n0.666667 0.333333 0.838098 Ag\n0.666667 0.333333 0.238724 Bi\n0.333333 0.666667 0.738724 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Ca",
"density": 7.2495789820586465,
"density_atomic": 0.03669492699264943,
"volume": 163.5103403040397,
"volume_molar": 16.411371417107137,
"formula_full": "Ca2 Ag2 Bi2",
"formula_reduced": "CaAgBi",
"formula_anonymous": "ABC",
"energy": -20.80873419,
"energy_per_atom": -3.4681223649999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.80873419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014247,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.795000Z",
"spacegroup": 186
},
{
"id": "mp-1028338",
"created_at": "2022-09-04T14:47:19.841034Z",
"structure_string": "Mg14 Ga1 Ni1\n1.0\n6.212352 0.000000 -0.000000\n-3.106176 5.380054 0.000000\n-0.000000 0.000000 10.045827\nMg Ga Ni\n14 1 1\ndirect\n0.163652 0.831825 0.125000 Mg\n0.167415 0.833707 0.625000 Mg\n0.668175 0.336348 0.125000 Mg\n0.666293 0.332585 0.625000 Mg\n0.668175 0.831825 0.125000 Mg\n0.666293 0.833707 0.625000 Mg\n0.327923 0.172077 0.368422 Mg\n0.327923 0.172077 0.881578 Mg\n0.327923 0.655846 0.368422 Mg\n0.327923 0.655846 0.881578 Mg\n0.844154 0.172077 0.368422 Mg\n0.844154 0.172077 0.881578 Mg\n0.833333 0.666667 0.375268 Mg\n0.833333 0.666667 0.874732 Mg\n0.166667 0.333333 0.625000 Ga\n0.166667 0.333333 0.125000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Ni"
],
"chemical_system": "Ga-Mg-Ni",
"density": 2.3179446649819404,
"density_atomic": 0.04765314820736839,
"volume": 335.7595584319861,
"volume_molar": 12.637445764955407,
"formula_full": "Mg14 Ga1 Ni1",
"formula_reduced": "Mg14GaNi",
"formula_anonymous": "ABC14",
"energy": -31.21293953,
"energy_per_atom": -1.950808720625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.21293953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.013000Z",
"spacegroup": 187
},
{
"id": "mp-972412",
"created_at": "2022-09-04T14:47:19.853313Z",
"structure_string": "Tm1 Lu1 Ir2\n1.0\n0.000000 3.371222 3.371222\n3.371222 0.000000 3.371222\n3.371222 3.371222 0.000000\nTm Lu Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Lu",
"Ir"
],
"chemical_system": "Ir-Lu-Tm",
"density": 15.782956160733796,
"density_atomic": 0.052199691755500544,
"volume": 76.62880498865206,
"volume_molar": 11.536736247806322,
"formula_full": "Tm1 Lu1 Ir2",
"formula_reduced": "TmLuIr2",
"formula_anonymous": "ABC2",
"energy": -30.53432196,
"energy_per_atom": -7.63358049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.53432196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.126000Z",
"spacegroup": 225
},
{
"id": "mp-1219160",
"created_at": "2022-09-04T14:47:19.854217Z",
"structure_string": "Sm6 Cu8 P8 O3\n1.0\n2.775672 -13.141026 0.000000\n2.775672 13.141026 0.000000\n0.000000 0.000000 5.556831\nSm Cu P O\n6 8 8 3\ndirect\n0.314469 0.216633 0.734464 Sm\n0.783367 0.685531 0.265536 Sm\n0.216633 0.314469 0.265536 Sm\n0.685531 0.783367 0.734464 Sm\n0.500000 0.000000 0.249782 Sm\n0.000000 0.500000 0.750218 Sm\n0.346313 0.653687 0.500000 Cu\n0.844798 0.155202 0.000000 Cu\n0.846074 0.153926 0.500000 Cu\n0.346153 0.653847 0.000000 Cu\n0.153926 0.846074 0.500000 Cu\n0.653847 0.346153 0.000000 Cu\n0.653687 0.346313 0.500000 Cu\n0.155202 0.844798 0.000000 Cu\n0.140510 0.349135 0.755270 P\n0.650865 0.859490 0.244730 P\n0.349135 0.140510 0.244730 P\n0.859490 0.650865 0.755270 P\n0.457194 0.043700 0.749046 P\n0.956300 0.542806 0.250954 P\n0.043700 0.457194 0.250954 P\n0.542806 0.956300 0.749046 P\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Sm",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-Sm",
"density": 6.989627518085823,
"density_atomic": 0.06167162689459034,
"volume": 405.372798786875,
"volume_molar": 9.764848218278875,
"formula_full": "Sm6 Cu8 P8 O3",
"formula_reduced": "Sm6Cu8P8O3",
"formula_anonymous": "A3B6C8D8",
"energy": -152.10930299,
"energy_per_atom": -6.0843721196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.04830299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.186000Z",
"spacegroup": 21
}
]
}