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_molar&page=1748",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=1746",
"results": [
{
"id": "mp-639135",
"created_at": "2022-09-04T14:47:18.038467Z",
"structure_string": "Pr12 Ru4 Cl12\n1.0\n4.107338 0.000000 0.000000\n0.000000 12.458868 0.000000\n0.000000 0.000000 14.516433\nPr Ru Cl\n12 4 12\ndirect\n0.250000 0.836959 0.089510 Pr\n0.250000 0.415924 0.854799 Pr\n0.250000 0.084076 0.354799 Pr\n0.750000 0.915924 0.645201 Pr\n0.750000 0.163041 0.910490 Pr\n0.750000 0.829330 0.400533 Pr\n0.750000 0.584076 0.145201 Pr\n0.250000 0.663041 0.589510 Pr\n0.250000 0.170670 0.599467 Pr\n0.750000 0.336959 0.410490 Pr\n0.750000 0.670670 0.900533 Pr\n0.250000 0.329330 0.099467 Pr\n0.250000 0.903832 0.515656 Ru\n0.750000 0.403832 0.984344 Ru\n0.250000 0.596168 0.015656 Ru\n0.750000 0.096168 0.484344 Ru\n0.750000 0.898699 0.955777 Cl\n0.250000 0.101301 0.044223 Cl\n0.250000 0.398699 0.544223 Cl\n0.750000 0.942524 0.213269 Cl\n0.750000 0.601301 0.455777 Cl\n0.750000 0.223177 0.235276 Cl\n0.250000 0.057476 0.786731 Cl\n0.250000 0.723177 0.264724 Cl\n0.750000 0.276823 0.735276 Cl\n0.750000 0.557476 0.713269 Cl\n0.250000 0.442524 0.286731 Cl\n0.250000 0.776823 0.764724 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Ru",
"Cl"
],
"chemical_system": "Cl-Pr-Ru",
"density": 5.634500627598118,
"density_atomic": 0.03769285984499645,
"volume": 742.8462609402367,
"volume_molar": 15.976874094363554,
"formula_full": "Pr12 Ru4 Cl12",
"formula_reduced": "Pr3RuCl3",
"formula_anonymous": "AB3C3",
"energy": -163.32586082999998,
"energy_per_atom": -5.833066458214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.95786083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1306932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.823000Z",
"spacegroup": 62
},
{
"id": "mp-558475",
"created_at": "2022-09-04T14:47:29.505456Z",
"structure_string": "K16 Nb8 S40 O4\n1.0\n7.682153 0.000000 0.000000\n0.000000 12.936570 0.000000\n0.000000 0.000000 18.152515\nK Nb S O\n16 8 40 4\ndirect\n0.789062 0.939991 0.835163 K\n0.856467 0.902403 0.535558 K\n0.210938 0.439991 0.835163 K\n0.856467 0.597597 0.035558 K\n0.210938 0.060009 0.335163 K\n0.143533 0.402403 0.535558 K\n0.813879 0.240153 0.200230 K\n0.143533 0.097597 0.035558 K\n0.667587 0.235127 0.968269 K\n0.186121 0.759847 0.700230 K\n0.789062 0.560009 0.335163 K\n0.813879 0.259847 0.700230 K\n0.667587 0.264873 0.468269 K\n0.186121 0.740153 0.200230 K\n0.332413 0.764873 0.468269 K\n0.332413 0.735127 0.968269 K\n0.742494 0.963065 0.104580 Nb\n0.257506 0.036935 0.604580 Nb\n0.214465 0.398406 0.294180 Nb\n0.742494 0.536935 0.604580 Nb\n0.214465 0.101594 0.794180 Nb\n0.785535 0.898406 0.294180 Nb\n0.257506 0.463065 0.104580 Nb\n0.785535 0.601594 0.794180 Nb\n0.026365 0.350826 0.049271 S\n0.752381 0.772092 0.190280 S\n0.250327 0.930313 0.852559 S\n0.537541 0.489274 0.705909 S\n0.576652 0.436178 0.116407 S\n0.266433 0.340331 0.996643 S\n0.462459 0.510726 0.205909 S\n0.752381 0.727908 0.690280 S\n0.030429 0.495596 0.202379 S\n0.973635 0.850826 0.049271 S\n0.462459 0.989274 0.705909 S\n0.993017 0.173403 0.859662 S\n0.247619 0.272092 0.190280 S\n0.576652 0.063822 0.616407 S\n0.425569 0.242053 0.775910 S\n0.590077 0.543837 0.897765 S\n0.030429 0.004404 0.702379 S\n0.969571 0.995596 0.202379 S\n0.247619 0.227908 0.690280 S\n0.006983 0.826597 0.359662 S\n0.423348 0.563822 0.616407 S\n0.026365 0.149174 0.549271 S\n0.993017 0.326597 0.359662 S\n0.006983 0.673403 0.859662 S\n0.425569 0.257947 0.275910 S\n0.749673 0.430313 0.852559 S\n0.973635 0.649174 0.549271 S\n0.423348 0.936178 0.116407 S\n0.969571 0.504404 0.702379 S\n0.574431 0.757947 0.275910 S\n0.733567 0.840331 0.996643 S\n0.537541 0.010726 0.205909 S\n0.266433 0.159669 0.496643 S\n0.409923 0.456163 0.397765 S\n0.574431 0.742053 0.775910 S\n0.590077 0.956163 0.397765 S\n0.409923 0.043837 0.897765 S\n0.250327 0.569687 0.352559 S\n0.749673 0.069687 0.352559 S\n0.733567 0.659669 0.496643 S\n0.771948 0.416153 0.557284 O\n0.771948 0.083847 0.057284 O\n0.228052 0.916153 0.557284 O\n0.228052 0.583847 0.057284 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"K",
"Nb",
"S",
"O"
],
"chemical_system": "K-Nb-O-S",
"density": 2.4994671921167018,
"density_atomic": 0.03769380791796612,
"volume": 1804.0098296248,
"volume_molar": 15.976472244741416,
"formula_full": "K16 Nb8 S40 O4",
"formula_reduced": "K4Nb2S10O",
"formula_anonymous": "AB2C4D10",
"energy": -377.02885825,
"energy_per_atom": -5.544542033088235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.16085825,
"band_gap": 1.472,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0066197,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.194000Z",
"spacegroup": 29
},
{
"id": "mp-1038988",
"created_at": "2022-09-04T14:42:05.043655Z",
"structure_string": "Ce3 Mg1\n1.0\n3.254025 0.000000 0.000000\n0.000000 5.491523 0.000000\n0.000000 0.000000 5.938444\nCe Mg\n3 1\ndirect\n0.000000 0.000000 0.999594 Ce\n0.500000 0.000000 0.489627 Ce\n0.500000 0.500000 0.846316 Ce\n0.000000 0.500000 0.331129 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.957992667634934,
"density_atomic": 0.03769412217259382,
"volume": 106.1173405679751,
"volume_molar": 15.976339049430113,
"formula_full": "Ce3 Mg1",
"formula_reduced": "Ce3Mg",
"formula_anonymous": "AB3",
"energy": -19.08391613,
"energy_per_atom": -4.7709790325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.08391613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0824057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.825000Z",
"spacegroup": 25
},
{
"id": "mp-31484",
"created_at": "2022-09-04T14:44:59.716651Z",
"structure_string": "K8 Ga2 Au16\n1.0\n2.958745 10.616187 0.000000\n-2.958745 10.616187 0.000000\n0.000000 1.490296 10.978901\nK Ga Au\n8 2 16\ndirect\n0.484408 0.484408 0.836912 K\n0.515592 0.515592 0.163088 K\n0.284990 0.284990 0.898634 K\n0.715010 0.715010 0.101366 K\n0.223456 0.223456 0.594752 K\n0.776544 0.776544 0.405248 K\n0.046044 0.046044 0.656091 K\n0.953956 0.953956 0.343909 K\n0.672993 0.672993 0.765625 Ga\n0.327007 0.327007 0.234375 Ga\n0.790351 0.790351 0.732661 Au\n0.209649 0.209649 0.267339 Au\n0.623952 0.623952 0.574412 Au\n0.376048 0.376048 0.425588 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.099075 0.099075 0.148834 Au\n0.900925 0.900925 0.851166 Au\n0.852467 0.353043 0.368108 Au\n0.646957 0.147533 0.631892 Au\n0.147533 0.646957 0.631892 Au\n0.353043 0.852467 0.368108 Au\n0.114867 0.649229 0.080185 Au\n0.350771 0.885133 0.919815 Au\n0.885133 0.350771 0.919815 Au\n0.649229 0.114867 0.080185 Au\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-K",
"density": 8.676258141795483,
"density_atomic": 0.03769713861280752,
"volume": 689.7075204314461,
"volume_molar": 15.97506065872594,
"formula_full": "K8 Ga2 Au16",
"formula_reduced": "K4GaAu8",
"formula_anonymous": "AB4C8",
"energy": -76.14981078,
"energy_per_atom": -2.928838876153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.14981078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.39e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.936000Z",
"spacegroup": 12
},
{
"id": "mp-1223522",
"created_at": "2022-09-04T14:45:28.383094Z",
"structure_string": "K2 Fe2 Se2 S2\n1.0\n5.847838 3.591243 0.000000\n-5.847838 3.591243 0.000000\n0.000000 2.133097 5.052540\nK Fe Se S\n2 2 2 2\ndirect\n0.358072 0.641928 0.500000 K\n0.638718 0.361282 0.000000 K\n0.003281 0.996719 0.500000 Fe\n0.005541 0.994459 0.000000 Fe\n0.088636 0.311070 0.147076 Se\n0.688930 0.911364 0.852924 Se\n0.927838 0.711015 0.343155 S\n0.288985 0.072162 0.656845 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Fe",
"Se",
"S"
],
"chemical_system": "Fe-K-S-Se",
"density": 3.2232915968326017,
"density_atomic": 0.037697287812462725,
"volume": 212.21685867159917,
"volume_molar": 15.97499743206746,
"formula_full": "K2 Fe2 Se2 S2",
"formula_reduced": "KFeSeS",
"formula_anonymous": "ABCD",
"energy": -41.953106180000006,
"energy_per_atom": -5.244138272500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.00310618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5533511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.167000Z",
"spacegroup": 5
},
{
"id": "mp-1180460",
"created_at": "2022-09-04T14:39:34.115983Z",
"structure_string": "Mo3 C8 Se13 N2\n1.0\n9.622523 5.387933 0.000000\n-9.622523 5.387933 0.000000\n0.000000 0.851042 6.651460\nMo C Se N\n3 8 13 2\ndirect\n0.997656 0.141951 0.534503 Mo\n0.843411 0.843411 0.562000 Mo\n0.141951 0.997656 0.534503 Mo\n0.363801 0.734614 0.865304 C\n0.734614 0.363801 0.865304 C\n0.224099 0.603671 0.968871 C\n0.357149 0.609368 0.041283 C\n0.465371 0.689829 0.872000 C\n0.603671 0.224099 0.968871 C\n0.689829 0.465371 0.872000 C\n0.609368 0.357149 0.041283 C\n0.716444 0.987829 0.605844 Se\n0.987829 0.716444 0.605844 Se\n0.277304 0.277304 0.550731 Se\n0.820109 0.999718 0.287435 Se\n0.999718 0.820109 0.287435 Se\n0.190646 0.190646 0.251778 Se\n0.004788 0.375836 0.399385 Se\n0.619978 0.619978 0.450910 Se\n0.375836 0.004788 0.399385 Se\n0.995831 0.336288 0.736457 Se\n0.614932 0.614932 0.798299 Se\n0.336288 0.995831 0.736457 Se\n0.985374 0.985374 0.837437 Se\n0.323555 0.720449 0.087393 N\n0.720449 0.323555 0.087393 N\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mo",
"C",
"Se",
"N"
],
"chemical_system": "C-Mo-N-Se",
"density": 3.463142373128421,
"density_atomic": 0.03769773213849443,
"volume": 689.6966614458624,
"volume_molar": 15.974809142034804,
"formula_full": "Mo3 C8 Se13 N2",
"formula_reduced": "Mo3C8Se13N2",
"formula_anonymous": "A2B3C8D13",
"energy": -156.78981553,
"energy_per_atom": -6.030377520384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.93181553,
"band_gap": 0.4103,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.002826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.867000Z",
"spacegroup": 8
},
{
"id": "mp-1189633",
"created_at": "2022-09-04T14:48:10.191046Z",
"structure_string": "Sb8 S12\n1.0\n3.877402 0.000000 0.000000\n0.000000 11.214265 0.000000\n0.000000 0.000000 12.201114\nSb S\n8 12\ndirect\n0.500000 0.174301 0.285223 Sb\n0.000000 0.674301 0.714777 Sb\n0.000000 0.466334 0.395577 Sb\n0.500000 0.966334 0.604423 Sb\n0.000000 0.830639 0.219325 Sb\n0.500000 0.330639 0.780675 Sb\n0.500000 0.532307 0.114879 Sb\n0.000000 0.032307 0.885121 Sb\n0.000000 0.055835 0.372113 S\n0.500000 0.555835 0.627887 S\n0.500000 0.309834 0.452532 S\n0.000000 0.809834 0.547468 S\n0.000000 0.372671 0.210419 S\n0.500000 0.872671 0.789581 S\n0.500000 0.940827 0.126013 S\n0.000000 0.440827 0.873987 S\n0.000000 0.685352 0.056748 S\n0.500000 0.185352 0.943252 S\n0.500000 0.622940 0.300716 S\n0.000000 0.122940 0.699284 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.253169420951939,
"density_atomic": 0.03769804827274574,
"volume": 530.531444368149,
"volume_molar": 15.974675177955513,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy": -93.67936863,
"energy_per_atom": -4.6839684315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.64336863,
"band_gap": 1.2751,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.76e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.402000Z",
"spacegroup": 31
},
{
"id": "mp-574085",
"created_at": "2022-09-04T14:41:24.468055Z",
"structure_string": "Dy5 Sn13\n1.0\n-2.197197 2.237944 24.275871\n2.197197 -2.237944 24.275871\n2.197197 2.237944 -24.275871\nDy Sn\n5 13\ndirect\n0.671246 0.671246 0.000000 Dy\n0.396748 0.896748 0.500000 Dy\n0.328754 0.328754 0.000000 Dy\n0.603252 0.103252 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.279687 0.779687 0.500000 Sn\n0.157385 0.157385 0.000000 Sn\n0.884734 0.384734 0.500000 Sn\n0.780413 0.280413 0.500000 Sn\n0.115266 0.615266 0.500000 Sn\n0.053128 0.053128 0.000000 Sn\n0.219587 0.719587 0.500000 Sn\n0.720313 0.220313 0.500000 Sn\n0.447592 0.447592 0.000000 Sn\n0.552408 0.552408 0.000000 Sn\n0.842615 0.842615 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.946872 0.946872 0.000000 Sn\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Dy",
"Sn"
],
"chemical_system": "Dy-Sn",
"density": 8.19259687382879,
"density_atomic": 0.03769810158470153,
"volume": 477.4776246903817,
"volume_molar": 15.97465258686628,
"formula_full": "Dy5 Sn13",
"formula_reduced": "Dy5Sn13",
"formula_anonymous": "A5B13",
"energy": -84.23003026,
"energy_per_atom": -4.679446125555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.23003026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016118,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.129000Z",
"spacegroup": 71
},
{
"id": "mp-1415",
"created_at": "2022-09-04T14:45:40.359711Z",
"structure_string": "Ca1 Se1\n1.0\n0.000000 2.982329 2.982329\n2.982329 0.000000 2.982329\n2.982329 2.982329 0.000000\nCa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Se"
],
"chemical_system": "Ca-Se",
"density": 3.725958973280908,
"density_atomic": 0.03769930511405919,
"volume": 53.05137572029519,
"volume_molar": 15.974142604963202,
"formula_full": "Ca1 Se1",
"formula_reduced": "CaSe",
"formula_anonymous": "AB",
"energy": -10.01814691,
"energy_per_atom": -5.009073455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.54614691,
"band_gap": 2.0728000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008723,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.584000Z",
"spacegroup": 225
},
{
"id": "mp-1206347",
"created_at": "2022-09-04T14:41:18.276803Z",
"structure_string": "La4 Co2 Sn5\n1.0\n2.321411 7.167546 0.000000\n-2.321411 7.167546 0.000000\n0.000000 6.900960 8.768095\nLa Co Sn\n4 2 5\ndirect\n0.937450 0.937450 0.722293 La\n0.062550 0.062550 0.277707 La\n0.331500 0.331500 0.284211 La\n0.668500 0.668500 0.715789 La\n0.772835 0.772835 0.140660 Co\n0.227165 0.227165 0.859340 Co\n0.653616 0.653616 0.022132 Sn\n0.346384 0.346384 0.977868 Sn\n0.626671 0.626671 0.442032 Sn\n0.373329 0.373329 0.557968 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"La",
"Co",
"Sn"
],
"chemical_system": "Co-La-Sn",
"density": 7.210760332496756,
"density_atomic": 0.03769944146700398,
"volume": 291.7815111300158,
"volume_molar": 15.974084829004198,
"formula_full": "La4 Co2 Sn5",
"formula_reduced": "La4Co2Sn5",
"formula_anonymous": "A2B4C5",
"energy": -60.80917629,
"energy_per_atom": -5.528106935454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.80917629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6574707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.337000Z",
"spacegroup": 12
},
{
"id": "mp-1103978",
"created_at": "2022-09-04T14:48:07.821947Z",
"structure_string": "Tb10 Ir4\n1.0\n0.000000 6.523912 0.000000\n-0.006246 0.000000 7.204962\n7.901150 -3.261956 -0.929223\nTb Ir\n10 4\ndirect\n0.971234 0.917696 0.182622 Tb\n0.788612 0.582304 0.817378 Tb\n0.028766 0.082304 0.817378 Tb\n0.211388 0.417696 0.182622 Tb\n0.653714 0.818112 0.440885 Tb\n0.212829 0.681888 0.559115 Tb\n0.346286 0.181888 0.559115 Tb\n0.787171 0.318112 0.440885 Tb\n0.428557 0.750000 0.000000 Tb\n0.571443 0.250000 0.000000 Tb\n0.825835 0.573000 0.220369 Ir\n0.605466 0.927000 0.779631 Ir\n0.174165 0.427000 0.779631 Ir\n0.394534 0.073000 0.220369 Ir\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"Ir"
],
"chemical_system": "Ir-Tb",
"density": 10.544584213272753,
"density_atomic": 0.03770007549395811,
"volume": 371.35204151630063,
"volume_molar": 15.973816182318044,
"formula_full": "Tb10 Ir4",
"formula_reduced": "Tb5Ir2",
"formula_anonymous": "A2B5",
"energy": -90.672686,
"energy_per_atom": -6.476620428571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.672686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0084649,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.996000Z",
"spacegroup": 15
},
{
"id": "mp-1206553",
"created_at": "2022-09-04T14:47:28.247420Z",
"structure_string": "Rb2 Li1 Ru1 Cl6\n1.0\n3.556626 -6.160257 0.000000\n3.556626 6.160257 0.000000\n0.000000 0.000000 6.053254\nRb Li Ru Cl\n2 1 1 6\ndirect\n0.333333 0.666667 0.246756 Rb\n0.666667 0.333333 0.753244 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Ru\n0.842522 0.157478 0.269010 Cl\n0.157478 0.842522 0.730990 Cl\n0.842522 0.685043 0.269010 Cl\n0.157478 0.314957 0.730990 Cl\n0.314957 0.157478 0.269010 Cl\n0.685043 0.842522 0.730990 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ru",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Ru",
"density": 3.0779539242190195,
"density_atomic": 0.037700236687463175,
"volume": 265.25032410009766,
"volume_molar": 15.973747883664084,
"formula_full": "Rb2 Li1 Ru1 Cl6",
"formula_reduced": "Rb2LiRuCl6",
"formula_anonymous": "ABC2D6",
"energy": -41.70371169,
"energy_per_atom": -4.170371169,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.01971169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9960425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.974000Z",
"spacegroup": 164
}
]
}