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=energy_above_hull&page=12175",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12173",
"results": [
{
"id": "mp-1100842",
"created_at": "2022-09-04T14:43:44.093899Z",
"structure_string": "Yb2 V8 O16\n1.0\n5.050230 0.000000 0.000000\n0.000000 8.177672 0.244064\n0.000000 0.326917 8.164177\nYb V O\n2 8 16\ndirect\n0.373356 0.307572 0.379185 Yb\n0.873356 0.692428 0.620815 Yb\n0.376516 0.133855 0.045661 V\n0.383672 0.994999 0.647267 V\n0.379705 0.673532 0.400982 V\n0.337292 0.499457 0.801300 V\n0.837292 0.500543 0.198700 V\n0.879705 0.326468 0.599018 V\n0.883672 0.005001 0.352733 V\n0.876516 0.866145 0.954339 V\n0.184800 0.988791 0.916247 O\n0.172604 0.180555 0.607463 O\n0.183034 0.544701 0.253381 O\n0.183341 0.856181 0.502103 O\n0.187178 0.106115 0.237580 O\n0.192770 0.496240 0.583109 O\n0.168452 0.677351 0.841772 O\n0.251031 0.319620 0.938144 O\n0.687178 0.893885 0.762420 O\n0.683341 0.143819 0.497897 O\n0.668452 0.322649 0.158228 O\n0.692770 0.503760 0.416891 O\n0.683034 0.455299 0.746619 O\n0.672604 0.819445 0.392537 O\n0.751031 0.680380 0.061856 O\n0.684800 0.011209 0.083753 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Yb",
"V",
"O"
],
"chemical_system": "O-V-Yb",
"density": 4.978122104839721,
"density_atomic": 0.0772039322807158,
"volume": 336.7704109353294,
"volume_molar": 7.800303147906141,
"formula_full": "Yb2 V8 O16",
"formula_reduced": "YbV4O8",
"formula_anonymous": "AB4C8",
"energy": -219.26694178999995,
"energy_per_atom": -8.433343914999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.67494179,
"band_gap": 0.8624999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9999299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.439000Z",
"spacegroup": 4
},
{
"id": "mp-1225794",
"created_at": "2022-09-04T14:43:44.160518Z",
"structure_string": "Cu2 W2 Se4\n1.0\n-1.645840 -2.851070 -0.000114\n-3.291680 0.000000 0.000000\n0.000000 -0.010130 -17.854275\nCu W Se\n2 2 4\ndirect\n0.332912 0.333544 0.540933 Cu\n0.667088 0.666456 0.459067 Cu\n0.333582 0.333209 0.766725 W\n0.666418 0.666791 0.233275 W\n0.333394 0.333303 0.138592 Se\n0.666606 0.666697 0.861408 Se\n0.667228 0.666386 0.670597 Se\n0.332772 0.333614 0.329403 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"W",
"Se"
],
"chemical_system": "Cu-Se-W",
"density": 8.033308163722223,
"density_atomic": 0.04774438330260165,
"volume": 167.55897650402932,
"volume_molar": 12.613296776359965,
"formula_full": "Cu2 W2 Se4",
"formula_reduced": "CuWSe2",
"formula_anonymous": "ABC2",
"energy": -51.13135975,
"energy_per_atom": -6.39141996875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.24335975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.473000Z",
"spacegroup": 164
},
{
"id": "mp-1111460",
"created_at": "2022-09-04T14:43:44.266600Z",
"structure_string": "Cs1 Rb2 Bi1 F6\n1.0\n0.000000 5.080808 5.080808\n5.080808 0.000000 5.080808\n5.080808 5.080808 0.000000\nCs Rb Bi F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.776419 0.223581 0.223581 F\n0.223581 0.223581 0.776419 F\n0.223581 0.776419 0.776419 F\n0.223581 0.776419 0.223581 F\n0.776419 0.223581 0.776419 F\n0.776419 0.776419 0.223581 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Bi",
"F"
],
"chemical_system": "Bi-Cs-F-Rb",
"density": 3.967874835069142,
"density_atomic": 0.03812164683666884,
"volume": 262.3181533275498,
"volume_molar": 15.797168432417674,
"formula_full": "Cs1 Rb2 Bi1 F6",
"formula_reduced": "CsRb2BiF6",
"formula_anonymous": "ABC2D6",
"energy": -46.56872719,
"energy_per_atom": -4.656872719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.79672719,
"band_gap": 4.1231,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.214000Z",
"spacegroup": 225
},
{
"id": "mp-1220610",
"created_at": "2022-09-04T14:43:45.271607Z",
"structure_string": "Nd2 Co17 N2\n1.0\n4.271884 4.727316 0.000000\n-4.271884 4.727316 0.000000\n0.000000 0.904479 6.363230\nNd Co N\n2 17 2\ndirect\n0.650261 0.650261 0.664696 Nd\n0.349739 0.349739 0.335304 Nd\n0.910929 0.910929 0.892649 Co\n0.089071 0.089071 0.107351 Co\n0.345039 0.345039 0.867495 Co\n0.863582 0.342032 0.343132 Co\n0.342032 0.863582 0.343132 Co\n0.654961 0.654961 0.132505 Co\n0.136418 0.657968 0.656868 Co\n0.657968 0.136418 0.656868 Co\n0.718656 0.281344 0.000000 Co\n0.996552 0.716954 0.279114 Co\n0.283046 0.003448 0.720886 Co\n0.003448 0.283046 0.720886 Co\n0.716954 0.996552 0.279114 Co\n0.281344 0.718656 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Nd",
"Co",
"N"
],
"chemical_system": "Co-N-Nd",
"density": 8.518085170767474,
"density_atomic": 0.0817104482101036,
"volume": 257.00507658460407,
"volume_molar": 7.37009879631936,
"formula_full": "Nd2 Co17 N2",
"formula_reduced": "Nd2Co17N2",
"formula_anonymous": "A2B2C17",
"energy": -149.79833477,
"energy_per_atom": -7.133254036666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.07633477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.9612347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.493000Z",
"spacegroup": 12
},
{
"id": "mp-12615",
"created_at": "2022-09-04T14:43:43.507115Z",
"structure_string": "Tb2 Be26\n1.0\n0.000000 5.096499 5.096499\n5.096499 0.000000 5.096499\n5.096499 5.096499 0.000000\nTb Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.209866 0.790134 0.562755 Be\n0.062755 0.290134 0.709866 Be\n0.709866 0.937245 0.062755 Be\n0.062755 0.937245 0.290134 Be\n0.937245 0.062755 0.709866 Be\n0.937245 0.290134 0.062755 Be\n0.709866 0.062755 0.290134 Be\n0.562755 0.790134 0.437245 Be\n0.437245 0.790134 0.209866 Be\n0.790134 0.437245 0.562755 Be\n0.437245 0.209866 0.562755 Be\n0.790134 0.562755 0.209866 Be\n0.562755 0.209866 0.790134 Be\n0.209866 0.437245 0.790134 Be\n0.209866 0.562755 0.437245 Be\n0.709866 0.290134 0.937245 Be\n0.290134 0.062755 0.937245 Be\n0.290134 0.937245 0.709866 Be\n0.062755 0.709866 0.937245 Be\n0.937245 0.709866 0.290134 Be\n0.290134 0.709866 0.062755 Be\n0.562755 0.437245 0.209866 Be\n0.790134 0.209866 0.437245 Be\n0.437245 0.562755 0.790134 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Tb",
"Be"
],
"chemical_system": "Be-Tb",
"density": 3.4631719819540314,
"density_atomic": 0.10575775074713825,
"volume": 264.756008918407,
"volume_molar": 5.694278402723081,
"formula_full": "Tb2 Be26",
"formula_reduced": "TbBe13",
"formula_anonymous": "AB13",
"energy": -111.68019311,
"energy_per_atom": -3.988578325357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.68019311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.287000Z",
"spacegroup": 226
},
{
"id": "mp-1022970",
"created_at": "2022-09-04T14:43:43.529797Z",
"structure_string": "Li2 Mg12 Mn2\n1.0\n4.965667 0.000000 0.000000\n0.000000 6.321773 0.000000\n0.000000 0.000000 10.730549\nLi Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.834202 Li\n0.500000 0.000000 0.334202 Li\n0.500000 0.251097 0.082960 Mg\n0.500000 0.748903 0.082960 Mg\n0.000000 0.246608 0.913456 Mg\n0.000000 0.753392 0.913456 Mg\n0.000000 0.500000 0.170568 Mg\n0.000000 0.500000 0.668342 Mg\n0.500000 0.751097 0.582960 Mg\n0.500000 0.248903 0.582960 Mg\n0.000000 0.746608 0.413456 Mg\n0.000000 0.253392 0.413456 Mg\n0.000000 0.000000 0.670568 Mg\n0.000000 0.000000 0.168342 Mg\n0.500000 0.500000 0.334061 Mn\n0.500000 0.000000 0.834061 Mn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Mn"
],
"chemical_system": "Li-Mg-Mn",
"density": 2.0478402301457646,
"density_atomic": 0.04749868114483083,
"volume": 336.85145806919405,
"volume_molar": 12.678543098149529,
"formula_full": "Li2 Mg12 Mn2",
"formula_reduced": "LiMg6Mn",
"formula_anonymous": "ABC6",
"energy": -39.75272765,
"energy_per_atom": -2.484545478125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.75272765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8045197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.340000Z",
"spacegroup": 38
},
{
"id": "mp-862701",
"created_at": "2022-09-04T14:43:43.694403Z",
"structure_string": "Cs3 Ca3 C3 O9 F3\n1.0\n4.695941 -8.133609 0.000000\n4.695941 8.133609 0.000000\n0.000000 0.000000 4.602762\nCs Ca C O F\n3 3 3 9 3\ndirect\n0.276443 0.000000 0.500000 Cs\n0.000000 0.276443 0.500000 Cs\n0.723557 0.723557 0.500000 Cs\n0.000000 0.610533 0.000000 Ca\n0.389467 0.389467 0.000000 Ca\n0.610533 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 C\n0.333333 0.666667 0.000000 C\n0.691200 0.482613 0.000000 O\n0.517387 0.208587 0.000000 O\n0.791413 0.308800 0.000000 O\n0.208587 0.517387 0.000000 O\n0.308800 0.791413 0.000000 O\n0.482613 0.691200 0.000000 O\n0.000000 0.861837 0.000000 O\n0.138163 0.138163 0.000000 O\n0.861837 0.000000 0.000000 O\n0.000000 0.611361 0.500000 F\n0.388639 0.388639 0.500000 F\n0.611361 0.000000 0.500000 F\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Cs",
"Ca",
"C",
"O",
"F"
],
"chemical_system": "C-Ca-Cs-F-O",
"density": 3.570265576683539,
"density_atomic": 0.05972619629076506,
"volume": 351.60451031848226,
"volume_molar": 10.08291358566082,
"formula_full": "Cs3 Ca3 C3 O9 F3",
"formula_reduced": "CsCaCO3F",
"formula_anonymous": "ABCDE3",
"energy": -145.10658629,
"energy_per_atom": -6.909837442380952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.53758629,
"band_gap": 4.5255,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.138000Z",
"spacegroup": 189
},
{
"id": "mp-1516972",
"created_at": "2022-09-04T14:43:44.032719Z",
"structure_string": "Sr1 Eu1 V1 W1 O6\n1.0\n-0.000000 -4.033561 -4.033561\n4.033561 0.000000 -4.033561\n4.033561 -4.033561 0.000000\nSr Eu V W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 V\n0.500000 0.500000 0.500000 W\n0.742343 0.257657 0.257657 O\n0.257657 0.742343 0.742343 O\n0.742343 0.257657 0.742343 O\n0.257657 0.742343 0.257657 O\n0.742343 0.742343 0.257657 O\n0.257657 0.257657 0.742343 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"V",
"W",
"O"
],
"chemical_system": "Eu-O-Sr-V-W",
"density": 7.216119577454539,
"density_atomic": 0.07619107772002405,
"volume": 131.24896377954585,
"volume_molar": 7.903997344845667,
"formula_full": "Sr1 Eu1 V1 W1 O6",
"formula_reduced": "SrEuVWO6",
"formula_anonymous": "ABCDE6",
"energy": -91.30734735,
"energy_per_atom": -9.130734735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.04734735,
"band_gap": 0.4069000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9999994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.509000Z",
"spacegroup": 216
},
{
"id": "mp-9782",
"created_at": "2022-09-04T14:43:44.057924Z",
"structure_string": "K2 Ag6 Se4\n1.0\n2.215390 8.378586 0.000000\n-2.215390 8.378586 0.000000\n0.000000 3.857061 8.101523\nK Ag Se\n2 6 4\ndirect\n0.863891 0.863891 0.051302 K\n0.136109 0.136109 0.948698 K\n0.943806 0.943806 0.400336 Ag\n0.056194 0.056194 0.599664 Ag\n0.313366 0.313366 0.432429 Ag\n0.686634 0.686634 0.567571 Ag\n0.406378 0.406378 0.647168 Ag\n0.593622 0.593622 0.352832 Ag\n0.513941 0.513941 0.791320 Se\n0.486059 0.486059 0.208680 Se\n0.798018 0.798018 0.704227 Se\n0.201982 0.201982 0.295773 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ag",
"Se"
],
"chemical_system": "Ag-K-Se",
"density": 5.748900239186245,
"density_atomic": 0.03989915134452373,
"volume": 300.75827669570305,
"volume_molar": 15.09340564163793,
"formula_full": "K2 Ag6 Se4",
"formula_reduced": "KAg3Se2",
"formula_anonymous": "AB2C3",
"energy": -40.09795368,
"energy_per_atom": -3.3414961400000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.20995368,
"band_gap": 0.0041999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.499000Z",
"spacegroup": 12
},
{
"id": "mp-1226673",
"created_at": "2022-09-04T14:43:44.320208Z",
"structure_string": "Ce1 Zn1 Ni4\n1.0\n2.502682 -4.334772 0.000000\n2.502682 4.334772 0.000000\n0.000000 0.000000 3.916891\nCe Zn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Ni\n0.995452 0.497726 0.500000 Ni\n0.502274 0.497726 0.500000 Ni\n0.502274 0.004548 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ni"
],
"chemical_system": "Ce-Ni-Zn",
"density": 8.603060772395558,
"density_atomic": 0.07060051013939776,
"volume": 84.98522161034319,
"volume_molar": 8.52988278428801,
"formula_full": "Ce1 Zn1 Ni4",
"formula_reduced": "CeZnNi4",
"formula_anonymous": "ABC4",
"energy": -32.33218344,
"energy_per_atom": -5.38869724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.33218344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0695015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.674000Z",
"spacegroup": 187
},
{
"id": "mp-1019509",
"created_at": "2022-09-04T14:43:44.681962Z",
"structure_string": "B2 S2 O9\n1.0\n2.134152 3.934906 0.000000\n-2.134152 3.934906 0.000000\n0.000000 0.632706 8.842579\nB S O\n2 2 9\ndirect\n0.824519 0.179346 0.142594 B\n0.820654 0.175481 0.857406 B\n0.491553 0.844619 0.264161 S\n0.155381 0.508447 0.735839 S\n0.626893 0.709721 0.409727 O\n0.290279 0.373107 0.590273 O\n0.506554 0.161553 0.203062 O\n0.838447 0.493446 0.796938 O\n0.683846 0.573033 0.139388 O\n0.426967 0.316154 0.860612 O\n0.096852 0.983584 0.263467 O\n0.016416 0.903148 0.736533 O\n0.954860 0.045140 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"B",
"S",
"O"
],
"chemical_system": "B-O-S",
"density": 2.568795527668781,
"density_atomic": 0.08753358149201602,
"volume": 148.51443044388324,
"volume_molar": 6.879806192494571,
"formula_full": "B2 S2 O9",
"formula_reduced": "B2S2O9",
"formula_anonymous": "A2B2C9",
"energy": -93.31970945,
"energy_per_atom": -7.178439188461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.13670945,
"band_gap": 6.6956,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009293,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.245000Z",
"spacegroup": 5
},
{
"id": "mp-1194965",
"created_at": "2022-09-04T14:43:44.847280Z",
"structure_string": "Li8 Th4 As8 O32\n1.0\n14.042259 0.000000 0.000000\n0.000000 5.695762 0.000000\n0.000000 2.578546 8.866234\nLi Th As O\n8 4 8 32\ndirect\n0.250626 0.085506 0.103825 Li\n0.750626 0.414494 0.896175 Li\n0.749374 0.914494 0.896175 Li\n0.249374 0.585506 0.103825 Li\n0.435678 0.789935 0.227642 Li\n0.935678 0.710065 0.772358 Li\n0.564322 0.210065 0.772358 Li\n0.064322 0.289935 0.227642 Li\n0.364297 0.566181 0.619071 Th\n0.864297 0.933819 0.380929 Th\n0.635703 0.433819 0.380929 Th\n0.135703 0.066181 0.619071 Th\n0.373870 0.905830 0.853819 As\n0.873870 0.594170 0.146181 As\n0.626130 0.094170 0.146181 As\n0.126130 0.405830 0.853819 As\n0.367230 0.227863 0.369832 As\n0.867230 0.272137 0.630168 As\n0.632770 0.772137 0.630168 As\n0.132770 0.727863 0.369832 As\n0.284523 0.276042 0.500729 O\n0.784523 0.223958 0.499271 O\n0.715477 0.723958 0.499271 O\n0.215477 0.776042 0.500729 O\n0.424343 0.188830 0.776516 O\n0.924343 0.311170 0.223484 O\n0.575657 0.811170 0.223484 O\n0.075657 0.688830 0.776516 O\n0.272902 0.854104 0.756531 O\n0.772902 0.645896 0.243469 O\n0.727098 0.145896 0.243469 O\n0.227098 0.354104 0.756531 O\n0.319681 0.295628 0.195843 O\n0.819681 0.204372 0.804157 O\n0.680319 0.704372 0.804157 O\n0.180319 0.795628 0.195843 O\n0.444750 0.689764 0.810784 O\n0.944750 0.810236 0.189216 O\n0.555250 0.310236 0.189216 O\n0.055250 0.189764 0.810784 O\n0.445710 0.452645 0.393540 O\n0.945710 0.047355 0.606460 O\n0.554290 0.547355 0.606460 O\n0.054290 0.952645 0.393540 O\n0.407910 0.931702 0.421396 O\n0.907910 0.568298 0.578604 O\n0.592090 0.068298 0.578604 O\n0.092090 0.431702 0.421396 O\n0.347683 0.860905 0.039807 O\n0.847683 0.639095 0.960193 O\n0.652317 0.139095 0.960193 O\n0.152317 0.360905 0.039807 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Th",
"As",
"O"
],
"chemical_system": "As-Li-O-Th",
"density": 4.905825968357641,
"density_atomic": 0.07332892894262642,
"volume": 709.1334995590285,
"volume_molar": 8.212503369184361,
"formula_full": "Li8 Th4 As8 O32",
"formula_reduced": "Li2Th(AsO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -372.824273,
"energy_per_atom": -7.169697557692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -350.840273,
"band_gap": 3.9494,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.42e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.583000Z",
"spacegroup": 14
}
]
}