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=-decomposes_to&page=88",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=86",
"results": [
{
"id": "mp-1181043",
"created_at": "2022-09-04T14:41:59.065563Z",
"structure_string": "K8 Te4 O20\n1.0\n-3.325329 6.667703 11.804474\n3.325329 -6.667703 11.804474\n3.325329 6.667703 -11.804474\nK Te O\n8 4 20\ndirect\n0.764178 0.264178 0.500000 K\n0.235822 0.735822 0.500000 K\n0.906176 0.406176 0.500000 K\n0.093824 0.593824 0.500000 K\n0.121061 0.335836 0.785225 K\n0.449389 0.664164 0.785225 K\n0.550611 0.335836 0.214775 K\n0.878939 0.664164 0.214775 K\n0.953372 0.836469 0.116903 Te\n0.280434 0.163531 0.116903 Te\n0.719566 0.836469 0.883097 Te\n0.046628 0.163531 0.883097 Te\n0.780980 0.780980 0.000000 O\n0.219020 0.219020 0.000000 O\n0.890638 0.890638 0.000000 O\n0.109362 0.109362 0.000000 O\n0.985803 0.774423 0.211380 O\n0.436957 0.225577 0.211380 O\n0.563043 0.774423 0.788620 O\n0.014197 0.225577 0.788620 O\n0.111119 0.896943 0.214176 O\n0.317233 0.103057 0.214176 O\n0.682767 0.896943 0.785824 O\n0.888881 0.103057 0.785824 O\n0.961723 0.122210 0.410268 O\n0.288058 0.877790 0.839513 O\n0.711942 0.551455 0.589732 O\n0.038277 0.448545 0.160487 O\n0.038277 0.877790 0.589732 O\n0.711942 0.122210 0.160487 O\n0.288058 0.448545 0.410268 O\n0.961723 0.551455 0.839513 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Te",
"O"
],
"chemical_system": "K-O-Te",
"density": 1.813193234793748,
"density_atomic": 0.030565568686719807,
"volume": 1046.9296458371941,
"volume_molar": 19.702367790776663,
"formula_full": "K8 Te4 O20",
"formula_reduced": "K2TeO5",
"formula_anonymous": "AB2C5",
"energy": -163.81747420000002,
"energy_per_atom": -5.119296068750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.0774742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9997559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.086000Z",
"spacegroup": 71
},
{
"id": "mp-30541",
"created_at": "2022-09-04T14:42:00.218482Z",
"structure_string": "Nb2 Ni8 P32\n1.0\n2.862585 9.883458 0.000000\n-2.862585 9.883458 0.000000\n0.000000 2.077005 11.032856\nNb Ni P\n2 8 32\ndirect\n0.394097 0.605903 0.750000 Nb\n0.605903 0.394097 0.250000 Nb\n0.195663 0.305721 0.629134 Ni\n0.694279 0.804337 0.870866 Ni\n0.804337 0.694279 0.370866 Ni\n0.305721 0.195663 0.129134 Ni\n0.987504 0.797912 0.073528 Ni\n0.202088 0.012496 0.426472 Ni\n0.012496 0.202088 0.926472 Ni\n0.797912 0.987504 0.573528 Ni\n0.739584 0.252480 0.604927 P\n0.747521 0.260416 0.895073 P\n0.260416 0.747521 0.395073 P\n0.252479 0.739584 0.104927 P\n0.625877 0.620629 0.660958 P\n0.379371 0.374123 0.839042 P\n0.374123 0.379371 0.339042 P\n0.620629 0.625877 0.160958 P\n0.011860 0.271993 0.719437 P\n0.728007 0.988140 0.780563 P\n0.888086 0.985805 0.368733 P\n0.014195 0.111914 0.131267 P\n0.111914 0.014195 0.631267 P\n0.985805 0.888086 0.868733 P\n0.658702 0.214368 0.079409 P\n0.785632 0.341298 0.420591 P\n0.341298 0.785632 0.920591 P\n0.214368 0.658702 0.579409 P\n0.320985 0.394979 0.041635 P\n0.605021 0.679015 0.458365 P\n0.679015 0.605021 0.958365 P\n0.394979 0.320985 0.541635 P\n0.721398 0.853510 0.053411 P\n0.146490 0.278602 0.446589 P\n0.278602 0.146490 0.946589 P\n0.853510 0.721398 0.553411 P\n0.440764 0.113972 0.313188 P\n0.886028 0.559236 0.186812 P\n0.559236 0.886028 0.686812 P\n0.113972 0.440764 0.813188 P\n0.271993 0.011860 0.219437 P\n0.988140 0.728007 0.280563 P\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"P"
],
"chemical_system": "Nb-Ni-P",
"density": 4.379564641054354,
"density_atomic": 0.0672765996077258,
"volume": 624.2883892005872,
"volume_molar": 8.951315606189523,
"formula_full": "Nb2 Ni8 P32",
"formula_reduced": "Nb(NiP4)4",
"formula_anonymous": "AB4C16",
"energy": -252.92611347,
"energy_per_atom": -6.0220503207142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -252.92611347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022375,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.655000Z",
"spacegroup": 15
},
{
"id": "mp-1079581",
"created_at": "2022-09-04T14:42:00.316532Z",
"structure_string": "Ru1 N6 Cl2\n1.0\n0.000000 4.023487 4.023487\n4.023487 0.000000 4.023487\n4.023487 4.023487 0.000000\nRu N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ru\n0.757273 0.757273 0.242727 N\n0.242727 0.757273 0.242727 N\n0.757273 0.242727 0.242727 N\n0.242727 0.242727 0.757273 N\n0.757273 0.242727 0.757273 N\n0.242727 0.757273 0.757273 N\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ru",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ru",
"density": 3.2634633638249393,
"density_atomic": 0.0690883318085484,
"volume": 130.26801725275436,
"volume_molar": 8.716581515802169,
"formula_full": "Ru1 N6 Cl2",
"formula_reduced": "Ru(N3Cl)2",
"formula_anonymous": "AB2C6",
"energy": -41.94862606,
"energy_per_atom": -4.660958451111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.55462606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7808129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.367000Z",
"spacegroup": 225
},
{
"id": "mp-675798",
"created_at": "2022-09-04T14:41:55.224320Z",
"structure_string": "Na2 Ho2 F8\n1.0\n-2.733036 2.733036 5.381552\n2.733036 -2.733036 5.381552\n2.733036 2.733036 -5.381552\nNa Ho F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Ho\n0.250000 0.750000 0.500000 Ho\n0.604561 0.125000 0.979561 F\n0.875000 0.395439 0.020439 F\n0.375000 0.395439 0.520439 F\n0.145439 0.625000 0.020439 F\n0.375000 0.854561 0.979561 F\n0.875000 0.854561 0.479561 F\n0.145439 0.125000 0.520439 F\n0.604561 0.625000 0.479561 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ho",
"F"
],
"chemical_system": "F-Ho-Na",
"density": 5.451083001750114,
"density_atomic": 0.07463164409487766,
"volume": 160.78970449511536,
"volume_molar": 8.069151943569913,
"formula_full": "Na2 Ho2 F8",
"formula_reduced": "NaHoF4",
"formula_anonymous": "ABC4",
"energy": -75.04568966,
"energy_per_atom": -6.253807471666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.34968966,
"band_gap": 6.8743,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.53e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.204000Z",
"spacegroup": 141
},
{
"id": "mp-1216619",
"created_at": "2022-09-04T14:41:55.740191Z",
"structure_string": "Tl1 In2 Ga1 Se4\n1.0\n-3.352348 4.105558 4.117562\n3.352348 -4.105558 4.117562\n3.352348 4.105558 -4.117562\nTl In Ga Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Ga\n0.500957 0.103583 0.936013 Se\n0.499043 0.435056 0.602626 Se\n0.167570 0.564944 0.063987 Se\n0.832430 0.896417 0.397374 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"In",
"Ga",
"Se"
],
"chemical_system": "Ga-In-Se-Tl",
"density": 6.00371741018108,
"density_atomic": 0.03529137351049928,
"volume": 226.68429149179974,
"volume_molar": 17.064058893056103,
"formula_full": "Tl1 In2 Ga1 Se4",
"formula_reduced": "TlIn2GaSe4",
"formula_anonymous": "ABC2D4",
"energy": -30.760137030000003,
"energy_per_atom": -3.8450171287500003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.87213703,
"band_gap": 0.3027000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.801000Z",
"spacegroup": 23
},
{
"id": "mp-1111736",
"created_at": "2022-09-04T14:41:55.758702Z",
"structure_string": "Rb2 Al1 Ag1 Br6\n1.0\n0.000000 5.415057 5.415057\n5.415057 0.000000 5.415057\n5.415057 5.415057 0.000000\nRb Al Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.765221 0.234779 0.234779 Br\n0.234779 0.234779 0.765221 Br\n0.234779 0.765221 0.765221 Br\n0.234779 0.765221 0.234779 Br\n0.765221 0.234779 0.765221 Br\n0.765221 0.765221 0.234779 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Ag",
"Br"
],
"chemical_system": "Ag-Al-Br-Rb",
"density": 4.105777973553455,
"density_atomic": 0.03148914777131396,
"volume": 317.5697250565104,
"volume_molar": 19.124495854048046,
"formula_full": "Rb2 Al1 Ag1 Br6",
"formula_reduced": "Rb2AlAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.63066897,
"energy_per_atom": -3.3630668970000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.42666897,
"band_gap": 1.4709,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0022077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.972000Z",
"spacegroup": 225
},
{
"id": "mp-1225967",
"created_at": "2022-09-04T14:41:55.783797Z",
"structure_string": "Cs4 P4 Se24\n1.0\n13.013627 0.000000 0.000000\n0.000000 7.161169 0.000000\n0.000000 6.802321 11.539501\nCs P Se\n4 4 24\ndirect\n0.973652 0.000033 0.749975 Cs\n0.026348 0.000033 0.249975 Cs\n0.504424 0.526254 0.999390 Cs\n0.495576 0.526254 0.499390 Cs\n0.152595 0.499854 0.750031 P\n0.847405 0.499854 0.250031 P\n0.661157 0.499668 0.750303 P\n0.338843 0.499668 0.250303 P\n0.763699 0.501302 0.890542 Se\n0.237397 0.498707 0.109100 Se\n0.762603 0.498707 0.609100 Se\n0.236301 0.501302 0.390542 Se\n0.676941 0.066469 0.424945 Se\n0.323155 0.935670 0.575547 Se\n0.676845 0.935670 0.075547 Se\n0.323059 0.066469 0.924945 Se\n0.253161 0.744319 0.767577 Se\n0.746894 0.255366 0.232422 Se\n0.253106 0.255366 0.732422 Se\n0.746839 0.744319 0.267577 Se\n0.576736 0.802499 0.681702 Se\n0.424017 0.198648 0.317491 Se\n0.575983 0.198648 0.817491 Se\n0.423264 0.802499 0.181702 Se\n0.829889 0.139586 0.974754 Se\n0.170304 0.859846 0.025159 Se\n0.829696 0.859846 0.525159 Se\n0.170111 0.139586 0.474754 Se\n0.065774 0.356343 0.911099 Se\n0.934117 0.643836 0.088862 Se\n0.065883 0.643836 0.588862 Se\n0.934226 0.356343 0.411099 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Cs",
"P",
"Se"
],
"chemical_system": "Cs-P-Se",
"density": 3.938354448322336,
"density_atomic": 0.029756419419317594,
"volume": 1075.3982039662303,
"volume_molar": 20.23812299167447,
"formula_full": "Cs4 P4 Se24",
"formula_reduced": "CsPSe6",
"formula_anonymous": "ABC6",
"energy": -131.75355568999998,
"energy_per_atom": -4.1172986153124995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.42555569,
"band_gap": 1.6167,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.526000Z",
"spacegroup": 7
},
{
"id": "mp-555591",
"created_at": "2022-09-04T14:41:55.982903Z",
"structure_string": "Sr4 Li4 Al4 F24\n1.0\n10.267084 0.000000 0.000000\n0.000000 5.157171 0.000000\n0.000000 0.157789 8.505245\nSr Li Al F\n4 4 4 24\ndirect\n0.314351 0.330399 0.525360 Sr\n0.185649 0.330399 0.025360 Sr\n0.814351 0.669601 0.974640 Sr\n0.685649 0.669601 0.474640 Sr\n0.068643 0.744600 0.332177 Li\n0.431357 0.744600 0.832177 Li\n0.568643 0.255400 0.167823 Li\n0.931357 0.255400 0.667823 Li\n0.097049 0.774378 0.739204 Al\n0.902951 0.225622 0.260796 Al\n0.597049 0.225622 0.760796 Al\n0.402951 0.774378 0.239204 Al\n0.845981 0.917544 0.333099 F\n0.982527 0.524699 0.176110 F\n0.482527 0.475301 0.323890 F\n0.428992 0.105401 0.776179 F\n0.101781 0.640886 0.544927 F\n0.601781 0.359114 0.955073 F\n0.617103 0.119659 0.559459 F\n0.242489 0.605933 0.267656 F\n0.382897 0.880341 0.440541 F\n0.898219 0.359114 0.455073 F\n0.928992 0.894599 0.723821 F\n0.257511 0.605933 0.767656 F\n0.154019 0.082456 0.666901 F\n0.345981 0.082456 0.166901 F\n0.117103 0.880341 0.940541 F\n0.742489 0.394067 0.232344 F\n0.071008 0.105401 0.276179 F\n0.571008 0.894599 0.223821 F\n0.654019 0.917544 0.833099 F\n0.517473 0.524699 0.676110 F\n0.757511 0.394067 0.732344 F\n0.882897 0.119659 0.059459 F\n0.398219 0.640886 0.044927 F\n0.017473 0.475301 0.823890 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-Li-Sr",
"density": 3.473883895799458,
"density_atomic": 0.07993868971176304,
"volume": 450.34513487531643,
"volume_molar": 7.533449424445391,
"formula_full": "Sr4 Li4 Al4 F24",
"formula_reduced": "SrLiAlF6",
"formula_anonymous": "ABCD6",
"energy": -213.93607133,
"energy_per_atom": -5.942668648055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.84807133,
"band_gap": 8.0001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.124000Z",
"spacegroup": 14
},
{
"id": "mp-1312918",
"created_at": "2022-09-04T14:41:55.989281Z",
"structure_string": "V4 Cr2 O12\n1.0\n-1.453416 1.308788 5.158448\n6.954205 -0.117997 0.002931\n-0.830727 6.898534 -0.004427\nV Cr O\n4 2 12\ndirect\n0.687878 0.163780 0.603558 V\n0.219686 0.386459 0.806932 V\n0.812076 0.603795 0.163744 V\n0.280365 0.806749 0.386384 V\n0.249874 0.916782 0.917098 Cr\n0.749992 0.076872 0.076671 Cr\n0.634088 0.021675 0.824374 O\n0.137558 0.184011 0.962761 O\n0.866186 0.824385 0.021654 O\n0.362508 0.962607 0.183883 O\n0.786524 0.093837 0.355681 O\n0.713383 0.355864 0.093822 O\n0.198551 0.618972 0.948166 O\n0.301617 0.948041 0.619046 O\n0.530166 0.385911 0.669127 O\n0.016353 0.332366 0.649078 O\n0.969747 0.668960 0.385833 O\n0.483448 0.648933 0.332188 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 3.359325768459676,
"density_atomic": 0.07286548452735646,
"volume": 247.03054013511868,
"volume_molar": 8.264737137291744,
"formula_full": "V4 Cr2 O12",
"formula_reduced": "V2CrO6",
"formula_anonymous": "AB2C6",
"energy": -157.24194416,
"energy_per_atom": -8.735663564444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.19994416,
"band_gap": 1.6599000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0033057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.329000Z",
"spacegroup": 5
},
{
"id": "mp-22538",
"created_at": "2022-09-04T14:41:55.994106Z",
"structure_string": "Li8 Pb1 O6\n1.0\n5.530018 -2.803863 0.000000\n5.530018 2.803863 0.000000\n4.108386 0.000000 4.643696\nLi Pb O\n8 1 6\ndirect\n0.345694 0.345694 0.345694 Li\n0.102868 0.490085 0.770298 Li\n0.490085 0.770298 0.102868 Li\n0.770298 0.102868 0.490085 Li\n0.897132 0.509915 0.229702 Li\n0.509915 0.229702 0.897132 Li\n0.654306 0.654306 0.654306 Li\n0.229702 0.897132 0.509915 Li\n0.000000 0.000000 0.000000 Pb\n0.903565 0.240649 0.604328 O\n0.395672 0.096435 0.759351 O\n0.096435 0.759351 0.395672 O\n0.240649 0.604328 0.903565 O\n0.604328 0.903565 0.240649 O\n0.759351 0.395672 0.096435 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb",
"density": 4.1364988145278545,
"density_atomic": 0.10416316031165612,
"volume": 144.00484734833321,
"volume_molar": 5.781449739026503,
"formula_full": "Li8 Pb1 O6",
"formula_reduced": "Li8PbO6",
"formula_anonymous": "AB6C8",
"energy": -78.29786839,
"energy_per_atom": -5.219857892666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.17586839,
"band_gap": 2.3403,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.83e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.281000Z",
"spacegroup": 148
},
{
"id": "mp-1202778",
"created_at": "2022-09-04T14:41:55.995020Z",
"structure_string": "K6 Cd32\n1.0\n9.492957 0.000000 0.000000\n0.000000 9.492957 0.000000\n0.000000 0.000000 11.572590\nK Cd\n6 32\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.162167 K\n0.500000 0.500000 0.837833 K\n0.000000 0.000000 0.337833 K\n0.000000 0.000000 0.662167 K\n0.155258 0.359825 0.687371 Cd\n0.844742 0.640175 0.687371 Cd\n0.844742 0.359825 0.312629 Cd\n0.155258 0.640175 0.312629 Cd\n0.344742 0.140175 0.812629 Cd\n0.655258 0.859825 0.812629 Cd\n0.655258 0.140175 0.187371 Cd\n0.344742 0.859825 0.187371 Cd\n0.359825 0.155258 0.312629 Cd\n0.640175 0.844742 0.312629 Cd\n0.359825 0.844742 0.687371 Cd\n0.640175 0.155258 0.687371 Cd\n0.140175 0.344742 0.187371 Cd\n0.859825 0.655258 0.187371 Cd\n0.140175 0.655258 0.812629 Cd\n0.859825 0.344742 0.812629 Cd\n0.648730 0.855025 0.562594 Cd\n0.351270 0.144975 0.562594 Cd\n0.351270 0.855025 0.437406 Cd\n0.648730 0.144975 0.437406 Cd\n0.851270 0.644975 0.937406 Cd\n0.148730 0.355025 0.937406 Cd\n0.148730 0.644975 0.062594 Cd\n0.851270 0.355025 0.062594 Cd\n0.855025 0.648730 0.437406 Cd\n0.144975 0.351270 0.437406 Cd\n0.855025 0.351270 0.562594 Cd\n0.144975 0.648730 0.562594 Cd\n0.644975 0.851270 0.062594 Cd\n0.355025 0.148730 0.062594 Cd\n0.644975 0.148730 0.937406 Cd\n0.355025 0.851270 0.937406 Cd\n",
"nsites": 38,
"nelements": 2,
"elements": [
"K",
"Cd"
],
"chemical_system": "Cd-K",
"density": 6.101150524739445,
"density_atomic": 0.03643761999526664,
"volume": 1042.878212268977,
"volume_molar": 16.527261552160365,
"formula_full": "K6 Cd32",
"formula_reduced": "K3Cd16",
"formula_anonymous": "A3B16",
"energy": -39.95301768,
"energy_per_atom": -1.0513952021052633,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.95301768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063624,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.755000Z",
"spacegroup": 126
},
{
"id": "mp-1520845",
"created_at": "2022-09-04T14:41:55.224337Z",
"structure_string": "Li1 La1 V4 O12\n1.0\n0.000000 -3.599590 -4.098722\n0.000000 -3.599590 4.098722\n-7.408461 0.000000 0.000000\nLi La V O\n1 1 4 12\ndirect\n0.998863 0.001137 0.500000 Li\n0.470546 0.529454 -0.000000 La\n0.479997 0.034025 0.259635 V\n0.479997 0.034025 0.740365 V\n0.965975 0.520003 0.740365 V\n0.965975 0.520003 0.259635 V\n0.303064 0.268420 0.255781 O\n0.731580 0.696936 0.255781 O\n0.731580 0.696936 0.744219 O\n0.303064 0.268420 0.744219 O\n0.242664 0.757336 0.207709 O\n0.795604 0.204396 0.304258 O\n0.795604 0.204396 0.695742 O\n0.242664 0.757336 0.792291 O\n0.549196 0.040129 0.000000 O\n0.437323 0.958565 0.500000 O\n0.959871 0.450804 -0.000000 O\n0.041435 0.562677 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"La",
"V",
"O"
],
"chemical_system": "La-Li-O-V",
"density": 4.114077654281689,
"density_atomic": 0.08234040730879581,
"volume": 218.6046995431512,
"volume_molar": 7.313712619146467,
"formula_full": "Li1 La1 V4 O12",
"formula_reduced": "LiLaV4O12",
"formula_anonymous": "ABC4D12",
"energy": -147.55338521000002,
"energy_per_atom": -8.197410289444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.50938521,
"band_gap": 1.0423999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.630000Z",
"spacegroup": 38
}
]
}