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=-elements&page=10261",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10259",
"results": [
{
"id": "mp-1214908",
"created_at": "2022-09-04T14:40:56.341504Z",
"structure_string": "B24 N12 Cl36\n1.0\n10.069166 0.000000 0.000000\n0.000000 10.069166 0.000000\n0.000000 0.000000 16.781366\nB N Cl\n24 12 36\ndirect\n0.209433 0.209433 0.000000 B\n0.790567 0.790567 0.500000 B\n0.290567 0.709433 0.250000 B\n0.709433 0.290567 0.750000 B\n0.902762 0.902762 0.000000 B\n0.097238 0.097238 0.500000 B\n0.597238 0.402762 0.250000 B\n0.402762 0.597238 0.750000 B\n0.015763 0.100466 0.064444 B\n0.984237 0.899534 0.564444 B\n0.399534 0.515763 0.314444 B\n0.484237 0.600466 0.185556 B\n0.600466 0.484237 0.814444 B\n0.515763 0.399534 0.685556 B\n0.100466 0.015763 0.935556 B\n0.899534 0.984237 0.435556 B\n0.125665 0.294919 0.133323 B\n0.874335 0.705081 0.633323 B\n0.205081 0.625665 0.383323 B\n0.374335 0.794919 0.116677 B\n0.794919 0.374335 0.883323 B\n0.625665 0.205081 0.616677 B\n0.294919 0.125665 0.866677 B\n0.705081 0.874335 0.366677 B\n0.117277 0.201594 0.065607 N\n0.882723 0.798406 0.565607 N\n0.298406 0.617277 0.315607 N\n0.382723 0.701594 0.184393 N\n0.701594 0.382723 0.815607 N\n0.617277 0.298406 0.684393 N\n0.201594 0.117277 0.934393 N\n0.798406 0.882723 0.434393 N\n0.006689 0.006689 0.000000 N\n0.993311 0.993311 0.500000 N\n0.493311 0.506689 0.250000 N\n0.506689 0.493311 0.750000 N\n0.407318 0.397933 0.392746 Cl\n0.592682 0.602067 0.892746 Cl\n0.102067 0.907318 0.642746 Cl\n0.092682 0.897933 0.857254 Cl\n0.897933 0.092682 0.142746 Cl\n0.907318 0.102067 0.357254 Cl\n0.397933 0.407318 0.607254 Cl\n0.602067 0.592682 0.107254 Cl\n0.064537 0.457079 0.126875 Cl\n0.935463 0.542921 0.626875 Cl\n0.042921 0.564537 0.376875 Cl\n0.435463 0.957079 0.123125 Cl\n0.957079 0.435463 0.876875 Cl\n0.564537 0.042921 0.623125 Cl\n0.457079 0.064537 0.873125 Cl\n0.542921 0.935463 0.373125 Cl\n0.197701 0.247065 0.223673 Cl\n0.802299 0.752935 0.723673 Cl\n0.252935 0.697701 0.473673 Cl\n0.302299 0.747065 0.026327 Cl\n0.747065 0.302299 0.973673 Cl\n0.697701 0.252935 0.526327 Cl\n0.247065 0.197701 0.776327 Cl\n0.752935 0.802299 0.276327 Cl\n0.248435 0.074143 0.450834 Cl\n0.751565 0.925857 0.950834 Cl\n0.425857 0.748435 0.700834 Cl\n0.251565 0.574143 0.799166 Cl\n0.574143 0.251565 0.200834 Cl\n0.748435 0.425857 0.299166 Cl\n0.074143 0.248435 0.549166 Cl\n0.925857 0.751565 0.049166 Cl\n0.334078 0.334078 0.000000 Cl\n0.665922 0.665922 0.500000 Cl\n0.165922 0.834078 0.250000 Cl\n0.834078 0.165922 0.750000 Cl\n",
"nsites": 72,
"nelements": 3,
"elements": [
"B",
"N",
"Cl"
],
"chemical_system": "B-Cl-N",
"density": 1.6629023881396445,
"density_atomic": 0.04231732292999098,
"volume": 1701.4308801886052,
"volume_molar": 14.230911463758996,
"formula_full": "B24 N12 Cl36",
"formula_reduced": "B2NCl3",
"formula_anonymous": "AB2C3",
"energy": -426.04571857,
"energy_per_atom": -5.917301646805556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -399.60971857,
"band_gap": 4.3775,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.2345125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.947000Z",
"spacegroup": 92
},
{
"id": "mp-726087",
"created_at": "2022-09-04T14:41:20.362604Z",
"structure_string": "B12 N12 Cl12\n1.0\n4.099709 0.000000 0.000000\n0.000000 13.830346 0.000000\n0.000000 0.000000 14.332718\nB N Cl\n12 12 12\ndirect\n0.446503 0.750000 0.940056 B\n0.053497 0.750000 0.440056 B\n0.553497 0.250000 0.059944 B\n0.946503 0.250000 0.559944 B\n0.700173 0.657162 0.079556 B\n0.799827 0.842838 0.579556 B\n0.299827 0.157162 0.920444 B\n0.200173 0.342838 0.420444 B\n0.299827 0.342838 0.920444 B\n0.200173 0.157162 0.420444 B\n0.700173 0.842838 0.079556 B\n0.799827 0.657162 0.579556 B\n0.769305 0.750000 0.116444 N\n0.730695 0.750000 0.616444 N\n0.230695 0.250000 0.883556 N\n0.269305 0.250000 0.383556 N\n0.537005 0.665377 0.990823 N\n0.962995 0.834623 0.490823 N\n0.462995 0.165377 0.009177 N\n0.037005 0.334623 0.509177 N\n0.462995 0.334623 0.009177 N\n0.037005 0.165377 0.509177 N\n0.537005 0.834623 0.990823 N\n0.962995 0.665377 0.490823 N\n0.243324 0.750000 0.832382 Cl\n0.256676 0.750000 0.332382 Cl\n0.756676 0.250000 0.167618 Cl\n0.743324 0.250000 0.667618 Cl\n0.799117 0.547256 0.133125 Cl\n0.700883 0.952744 0.633125 Cl\n0.200883 0.047256 0.866875 Cl\n0.299117 0.452744 0.366875 Cl\n0.200883 0.452744 0.866875 Cl\n0.299117 0.047256 0.366875 Cl\n0.799117 0.952744 0.133125 Cl\n0.700883 0.547256 0.633125 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"B",
"N",
"Cl"
],
"chemical_system": "B-Cl-N",
"density": 1.477821383801675,
"density_atomic": 0.04429838243690814,
"volume": 812.6707572510782,
"volume_molar": 13.594493588060507,
"formula_full": "B12 N12 Cl12",
"formula_reduced": "BNCl",
"formula_anonymous": "ABC",
"energy": -222.8500635,
"energy_per_atom": -6.1902795416666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.1500635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0023644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.654000Z",
"spacegroup": 62
},
{
"id": "mp-1228637",
"created_at": "2022-09-04T14:43:20.644399Z",
"structure_string": "B2 Mo2 W2\n1.0\n0.000000 3.931824 3.956160\n2.387964 0.000000 3.956160\n2.387964 3.931824 0.000000\nB Mo W\n2 2 2\ndirect\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n0.330643 0.669357 0.330643 Mo\n0.669357 0.330643 0.669357 Mo\n0.168725 0.168725 0.831275 W\n0.831275 0.831275 0.168725 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Mo",
"W"
],
"chemical_system": "B-Mo-W",
"density": 12.990790074687958,
"density_atomic": 0.08076543985231878,
"volume": 74.28920106138368,
"volume_molar": 7.456333762326565,
"formula_full": "B2 Mo2 W2",
"formula_reduced": "BMoW",
"formula_anonymous": "ABC",
"energy": -62.72914021,
"energy_per_atom": -10.454856701666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.72914021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.407000Z",
"spacegroup": 69
},
{
"id": "mp-1228655",
"created_at": "2022-09-04T14:43:16.339240Z",
"structure_string": "B4 Mo1 Ru2\n1.0\n-1.504415 1.657382 6.617271\n1.504415 -1.657382 6.617271\n1.504415 1.657382 -6.617271\nB Mo Ru\n4 1 2\ndirect\n0.353077 0.353077 0.000000 B\n0.646923 0.646923 0.000000 B\n0.430078 0.930078 0.500000 B\n0.569922 0.069922 0.500000 B\n0.000000 0.500000 0.500000 Mo\n0.180015 0.180015 0.000000 Ru\n0.819985 0.819985 0.000000 Ru\n",
"nsites": 7,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ru"
],
"chemical_system": "B-Mo-Ru",
"density": 8.587895258171327,
"density_atomic": 0.10606420839525414,
"volume": 65.99775839474626,
"volume_molar": 5.677825584251908,
"formula_full": "B4 Mo1 Ru2",
"formula_reduced": "B4MoRu2",
"formula_anonymous": "AB2C4",
"energy": -58.23804634,
"energy_per_atom": -8.319720905714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.23804634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0191998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.989000Z",
"spacegroup": 71
},
{
"id": "mp-1228661",
"created_at": "2022-09-04T14:41:36.084451Z",
"structure_string": "B4 Mo2 Ru2\n1.0\n2.972997 0.000000 0.000000\n0.000000 4.570193 0.000000\n0.000000 0.000000 6.013629\nB Mo Ru\n4 2 2\ndirect\n0.000000 0.634209 0.529959 B\n0.000000 0.365791 0.029959 B\n0.500000 0.834480 0.472472 B\n0.500000 0.165520 0.972472 B\n0.000000 0.120607 0.679775 Mo\n0.000000 0.879393 0.179775 Mo\n0.500000 0.373343 0.317794 Ru\n0.500000 0.626657 0.817794 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ru"
],
"chemical_system": "B-Mo-Ru",
"density": 8.88642699649935,
"density_atomic": 0.09790938974144107,
"volume": 81.70820001152478,
"volume_molar": 6.150728521445448,
"formula_full": "B4 Mo2 Ru2",
"formula_reduced": "B2MoRu",
"formula_anonymous": "ABC2",
"energy": -69.35117099,
"energy_per_atom": -8.66889637375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.35117099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.092000Z",
"spacegroup": 26
},
{
"id": "mp-1190254",
"created_at": "2022-09-04T14:44:26.988414Z",
"structure_string": "B8 Mo8 Ru4\n1.0\n0.000000 0.000000 -3.098612\n0.000000 -7.531711 0.000000\n-9.620697 0.000000 0.000000\nB Mo Ru\n8 8 4\ndirect\n0.500000 0.115316 0.460770 B\n0.500000 0.884684 0.539230 B\n0.000000 0.384684 0.960770 B\n0.000000 0.615316 0.039230 B\n0.500000 0.125282 0.267819 B\n0.500000 0.874718 0.732181 B\n0.000000 0.374718 0.767819 B\n0.000000 0.625282 0.232181 B\n0.500000 0.809018 0.129221 Mo\n0.500000 0.190982 0.870779 Mo\n0.000000 0.690982 0.629221 Mo\n0.000000 0.309018 0.370779 Mo\n0.500000 0.574575 0.860197 Mo\n0.500000 0.425425 0.139803 Mo\n0.000000 0.925425 0.360197 Mo\n0.000000 0.074575 0.639803 Mo\n0.500000 0.620302 0.391854 Ru\n0.500000 0.379698 0.608146 Ru\n0.000000 0.879698 0.891854 Ru\n0.000000 0.120302 0.108146 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ru"
],
"chemical_system": "B-Mo-Ru",
"density": 9.305972603369987,
"density_atomic": 0.08907639100995098,
"volume": 224.52638430047918,
"volume_molar": 6.760647452956699,
"formula_full": "B8 Mo8 Ru4",
"formula_reduced": "B2Mo2Ru",
"formula_anonymous": "AB2C2",
"energy": -185.06114806,
"energy_per_atom": -9.253057403,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.06114806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0205156,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.112000Z",
"spacegroup": 58
},
{
"id": "mp-1247817",
"created_at": "2022-09-04T14:46:20.788025Z",
"structure_string": "B4 Mo1 Ru2\n1.0\n4.796622 0.482668 -1.524591\n0.381567 3.977228 -0.927671\n-0.664481 -0.018907 4.327847\nB Mo Ru\n4 1 2\ndirect\n0.952588 0.672690 0.148746 B\n0.341375 0.489969 0.790447 B\n0.653012 0.491519 0.164905 B\n0.081251 0.342009 0.886500 B\n0.899392 0.838998 0.676160 Mo\n0.073458 0.184709 0.336720 Ru\n0.498924 0.980106 0.996521 Ru\n",
"nsites": 7,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ru"
],
"chemical_system": "B-Mo-Ru",
"density": 7.270011363395471,
"density_atomic": 0.08978777419873137,
"volume": 77.96161629429172,
"volume_molar": 6.707083245733347,
"formula_full": "B4 Mo1 Ru2",
"formula_reduced": "B4MoRu2",
"formula_anonymous": "AB2C4",
"energy": -55.99873242,
"energy_per_atom": -7.999818917142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.99873242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.186000Z",
"spacegroup": 1
},
{
"id": "mp-1188450",
"created_at": "2022-09-04T14:40:18.661622Z",
"structure_string": "B8 Mo8 Os4\n1.0\n3.077060 0.000000 0.000000\n0.000000 7.605613 0.000000\n0.000000 0.000000 9.649725\nB Mo Os\n8 8 4\ndirect\n0.500000 0.115860 0.460781 B\n0.500000 0.884140 0.539219 B\n0.000000 0.384140 0.960781 B\n0.000000 0.615860 0.039219 B\n0.500000 0.125600 0.267425 B\n0.500000 0.874400 0.732575 B\n0.000000 0.374400 0.767425 B\n0.000000 0.625600 0.232575 B\n0.500000 0.808279 0.130104 Mo\n0.500000 0.191721 0.869896 Mo\n0.000000 0.691721 0.630104 Mo\n0.000000 0.308279 0.369896 Mo\n0.500000 0.573838 0.860435 Mo\n0.500000 0.426162 0.139565 Mo\n0.000000 0.926162 0.360435 Mo\n0.000000 0.073838 0.639565 Mo\n0.500000 0.618664 0.392611 Os\n0.500000 0.381336 0.607389 Os\n0.000000 0.881336 0.892611 Os\n0.000000 0.118664 0.107389 Os\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Mo",
"Os"
],
"chemical_system": "B-Mo-Os",
"density": 11.874549361098385,
"density_atomic": 0.08856148105527298,
"volume": 225.8318149345041,
"volume_molar": 6.799954888109269,
"formula_full": "B8 Mo8 Os4",
"formula_reduced": "B2Mo2Os",
"formula_anonymous": "AB2C2",
"energy": -192.17032685,
"energy_per_atom": -9.6085163425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.17032685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052835,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.551000Z",
"spacegroup": 58
},
{
"id": "mp-1246423",
"created_at": "2022-09-04T14:42:18.406028Z",
"structure_string": "B4 Mo4 N12\n1.0\n10.201338 0.560949 -0.555351\n-2.346805 5.050000 -1.095536\n-2.130644 -4.604290 7.034217\nB Mo N\n4 4 12\ndirect\n0.560374 0.534363 0.321515 B\n0.439626 0.465637 0.678485 B\n0.706902 0.574161 0.667182 B\n0.293098 0.425839 0.332818 B\n0.924837 0.700873 0.620609 Mo\n0.075163 0.299127 0.379391 Mo\n0.693987 0.746251 0.081947 Mo\n0.306013 0.253749 0.918053 Mo\n0.681515 0.577649 0.494533 N\n0.318485 0.422351 0.505467 N\n0.833674 0.242913 0.301294 N\n0.166326 0.757087 0.698706 N\n0.878205 0.616377 0.771721 N\n0.121795 0.383623 0.228279 N\n0.613748 0.560131 0.757380 N\n0.386252 0.439869 0.242620 N\n0.896052 0.784063 0.164364 N\n0.103948 0.215937 0.835636 N\n0.406420 0.445315 0.823489 N\n0.593580 0.554685 0.176511 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Mo",
"N"
],
"chemical_system": "B-Mo-N",
"density": 3.1925996059924238,
"density_atomic": 0.06461699961972153,
"volume": 309.5160734435566,
"volume_molar": 9.319746808797978,
"formula_full": "B4 Mo4 N12",
"formula_reduced": "BMoN3",
"formula_anonymous": "ABC3",
"energy": -178.71375772,
"energy_per_atom": -8.935687886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.38175772,
"band_gap": 1.0201000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.051000Z",
"spacegroup": 2
},
{
"id": "mp-1228634",
"created_at": "2022-09-04T14:42:48.125766Z",
"structure_string": "B4 Mo1 Ir1\n1.0\n1.479925 -2.563306 0.000000\n1.479925 2.563306 0.000000\n0.000000 0.000000 7.481666\nB Mo Ir\n4 1 1\ndirect\n0.333333 0.666667 0.204591 B\n0.000000 0.000000 0.296204 B\n0.000000 0.000000 0.703796 B\n0.333333 0.666667 0.795409 B\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 9.694701446429267,
"density_atomic": 0.10570189605356986,
"volume": 56.76340939957399,
"volume_molar": 5.697287357029027,
"formula_full": "B4 Mo1 Ir1",
"formula_reduced": "B4MoIr",
"formula_anonymous": "ABC4",
"energy": -47.88628171,
"energy_per_atom": -7.9810469516666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.88628171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0108773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.076000Z",
"spacegroup": 187
},
{
"id": "mp-20391",
"created_at": "2022-09-04T14:40:32.331738Z",
"structure_string": "B8 Mo8 Ir4\n1.0\n3.257415 0.000000 0.000000\n0.000000 7.412161 0.000000\n0.000000 0.000000 9.455723\nB Mo Ir\n8 8 4\ndirect\n0.500000 0.124560 0.262948 B\n0.000000 0.616238 0.040254 B\n0.000000 0.383762 0.959746 B\n0.000000 0.375440 0.762948 B\n0.500000 0.116238 0.459746 B\n0.000000 0.624560 0.237052 B\n0.500000 0.875440 0.737052 B\n0.500000 0.883762 0.540254 B\n0.500000 0.427859 0.137978 Mo\n0.000000 0.072141 0.637978 Mo\n0.000000 0.689992 0.630500 Mo\n0.500000 0.810008 0.130500 Mo\n0.500000 0.189992 0.869500 Mo\n0.000000 0.310008 0.369500 Mo\n0.500000 0.572141 0.862022 Mo\n0.000000 0.927859 0.362022 Mo\n0.500000 0.620810 0.388834 Ir\n0.000000 0.120810 0.111166 Ir\n0.000000 0.879190 0.888834 Ir\n0.500000 0.379190 0.611166 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 11.803797703921415,
"density_atomic": 0.08760266502202843,
"volume": 228.30355668940928,
"volume_molar": 6.874380771961311,
"formula_full": "B8 Mo8 Ir4",
"formula_reduced": "B2Mo2Ir",
"formula_anonymous": "AB2C2",
"energy": -183.72511174,
"energy_per_atom": -9.186255587,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.72511174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.197000Z",
"spacegroup": 58
},
{
"id": "mp-1238849",
"created_at": "2022-09-04T14:39:15.832664Z",
"structure_string": "B2 Mo2 C2\n1.0\n1.415236 -2.451261 0.000000\n1.415236 2.451261 0.000000\n0.000000 0.000000 7.543974\nB Mo C\n2 2 2\ndirect\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Mo",
"C"
],
"chemical_system": "B-C-Mo",
"density": 7.535410173791815,
"density_atomic": 0.11463114985704773,
"volume": 52.341793722582196,
"volume_molar": 5.253494157137906,
"formula_full": "B2 Mo2 C2",
"formula_reduced": "BMoC",
"formula_anonymous": "ABC",
"energy": -51.04116826,
"energy_per_atom": -8.506861376666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.04116826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.064000Z",
"spacegroup": 194
}
]
}