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=-is_stable&page=12193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12191",
"results": [
{
"id": "mp-1037596",
"created_at": "2022-09-04T14:48:13.416834Z",
"structure_string": "Rb1 Mg30 Fe1 O32\n1.0\n8.623275 0.000000 0.000000\n0.000000 8.623275 0.000000\n0.000000 0.000000 8.595636\nRb Mg Fe O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255874 0.000000 0.250392 Mg\n0.255874 0.000000 0.749608 Mg\n0.744126 0.000000 0.250392 Mg\n0.744126 0.000000 0.749608 Mg\n0.250187 0.500000 0.251038 Mg\n0.250187 0.500000 0.748962 Mg\n0.749813 0.500000 0.251038 Mg\n0.749813 0.500000 0.748962 Mg\n0.000000 0.255874 0.250392 Mg\n0.000000 0.255874 0.749608 Mg\n0.500000 0.250187 0.251038 Mg\n0.500000 0.250187 0.748962 Mg\n0.000000 0.744126 0.250392 Mg\n0.000000 0.744126 0.749608 Mg\n0.500000 0.749813 0.251038 Mg\n0.500000 0.749813 0.748962 Mg\n0.251354 0.251354 0.000000 Mg\n0.252949 0.252949 0.500000 Mg\n0.748646 0.251354 0.000000 Mg\n0.747051 0.252949 0.500000 Mg\n0.251354 0.748646 0.000000 Mg\n0.252949 0.747051 0.500000 Mg\n0.748646 0.748646 0.000000 Mg\n0.747051 0.747051 0.500000 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.249310 0.000000 O\n0.000000 0.278565 0.500000 O\n0.500000 0.249895 0.000000 O\n0.500000 0.255257 0.500000 O\n0.000000 0.750690 0.000000 O\n0.000000 0.721435 0.500000 O\n0.500000 0.750105 0.000000 O\n0.500000 0.744743 0.500000 O\n0.248816 0.248816 0.249822 O\n0.248816 0.248816 0.750178 O\n0.751184 0.248816 0.249822 O\n0.751184 0.248816 0.750178 O\n0.248816 0.751184 0.249822 O\n0.248816 0.751184 0.750178 O\n0.751184 0.751184 0.249822 O\n0.751184 0.751184 0.750178 O\n0.000000 0.000000 0.219323 O\n0.000000 0.000000 0.780677 O\n0.500000 0.000000 0.242771 O\n0.500000 0.000000 0.757229 O\n0.000000 0.500000 0.242771 O\n0.000000 0.500000 0.757229 O\n0.500000 0.500000 0.248068 O\n0.500000 0.500000 0.751932 O\n0.249310 0.000000 0.000000 O\n0.278565 0.000000 0.500000 O\n0.750690 0.000000 0.000000 O\n0.721435 0.000000 0.500000 O\n0.249895 0.500000 0.000000 O\n0.255257 0.500000 0.500000 O\n0.750105 0.500000 0.000000 O\n0.744743 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O-Rb",
"density": 3.5914847882450873,
"density_atomic": 0.10012844821588684,
"volume": 639.1789859961643,
"volume_molar": 6.0144153507858915,
"formula_full": "Rb1 Mg30 Fe1 O32",
"formula_reduced": "RbMg30FeO32",
"formula_anonymous": "ABC30D32",
"energy": -401.00694302,
"energy_per_atom": -6.2657334846875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.76694302,
"band_gap": 2.4117999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0039328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.889000Z",
"spacegroup": 123
},
{
"id": "mp-29841",
"created_at": "2022-09-04T14:48:13.420633Z",
"structure_string": "Rh9 S12\n1.0\n5.450772 5.242819 0.000000\n-5.450772 5.242819 0.000000\n0.000000 1.942740 6.013210\nRh S\n9 12\ndirect\n0.160852 0.839148 0.000000 Rh\n0.839148 0.160852 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.349950 0.349950 0.947637 Rh\n0.650050 0.650050 0.052363 Rh\n0.784241 0.491550 0.450645 Rh\n0.508450 0.215759 0.549355 Rh\n0.215759 0.508450 0.549355 Rh\n0.491550 0.784241 0.450645 Rh\n0.858830 0.440605 0.100762 S\n0.559395 0.141170 0.899238 S\n0.141170 0.559395 0.899238 S\n0.440605 0.858830 0.100762 S\n0.117258 0.117258 0.111671 S\n0.882742 0.882742 0.888329 S\n0.032952 0.716165 0.385665 S\n0.283835 0.967048 0.614335 S\n0.967048 0.283835 0.614335 S\n0.584128 0.584128 0.726453 S\n0.415872 0.415872 0.273547 S\n0.716165 0.032952 0.385665 S\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Rh",
"S"
],
"chemical_system": "Rh-S",
"density": 6.333870597025335,
"density_atomic": 0.06110265017195516,
"volume": 343.6839472740016,
"volume_molar": 9.855776702078362,
"formula_full": "Rh9 S12",
"formula_reduced": "Rh3S4",
"formula_anonymous": "A3B4",
"energy": -131.87574369,
"energy_per_atom": -6.279797318571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.83974369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:43.463000Z",
"spacegroup": 12
},
{
"id": "mp-31441",
"created_at": "2022-09-04T14:48:13.429124Z",
"structure_string": "Li2 Ga1 Ir1\n1.0\n0.000000 3.000454 3.000454\n3.000454 0.000000 3.000454\n3.000454 3.000454 0.000000\nLi Ga Ir\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Li",
"density": 8.47787650651957,
"density_atomic": 0.07404045462044567,
"volume": 54.02451971027515,
"volume_molar": 8.133581554666783,
"formula_full": "Li2 Ga1 Ir1",
"formula_reduced": "Li2GaIr",
"formula_anonymous": "ABC2",
"energy": -17.44098456,
"energy_per_atom": -4.36024614,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.44098456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.815000Z",
"spacegroup": 216
},
{
"id": "mp-975892",
"created_at": "2022-09-04T14:48:13.463476Z",
"structure_string": "Pr1 Mg1 Ag2\n1.0\n0.000000 3.603029 3.603029\n3.603029 0.000000 3.603029\n3.603029 3.603029 0.000000\nPr Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Pr",
"density": 6.762117667446502,
"density_atomic": 0.04275891953857715,
"volume": 93.54773327214677,
"volume_molar": 14.083940438595082,
"formula_full": "Pr1 Mg1 Ag2",
"formula_reduced": "PrMgAg2",
"formula_anonymous": "ABC2",
"energy": -13.21012022,
"energy_per_atom": -3.302530055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.21012022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.989000Z",
"spacegroup": 225
},
{
"id": "mp-1096688",
"created_at": "2022-09-04T14:48:13.485887Z",
"structure_string": "Ba2 Li1 Tl1\n1.0\n-6.936571 7.176227 10.142471\n6.936571 -7.176227 10.142471\n6.936571 7.176227 -10.142471\nBa Li Tl\n2 1 1\ndirect\n0.000000 0.260079 0.260079 Ba\n0.000000 0.739921 0.739921 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Tl"
],
"chemical_system": "Ba-Li-Tl",
"density": 0.39959606709256545,
"density_atomic": 0.001980684128493344,
"volume": 2019.5042422249824,
"volume_molar": 304.0434703023995,
"formula_full": "Ba2 Li1 Tl1",
"formula_reduced": "Ba2LiTl",
"formula_anonymous": "ABC2",
"energy": -3.64824652,
"energy_per_atom": -0.91206163,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.64824652,
"band_gap": 0.4025999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0016533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:36.363000Z",
"spacegroup": 71
},
{
"id": "mp-1246003",
"created_at": "2022-09-04T14:48:13.494375Z",
"structure_string": "Ti2 Pb8 N8\n1.0\n6.742453 1.293479 -0.155160\n3.682823 7.436135 0.097292\n2.063598 3.492419 8.518824\nTi Pb N\n2 8 8\ndirect\n0.749792 0.789255 0.750098 Ti\n0.250208 0.210745 0.249902 Ti\n0.741036 0.623191 0.126533 Pb\n0.258964 0.376809 0.873467 Pb\n0.789918 0.292951 0.958251 Pb\n0.210082 0.707049 0.041749 Pb\n0.710016 0.541354 0.541636 Pb\n0.289984 0.458646 0.458364 Pb\n0.240877 0.009216 0.626342 Pb\n0.759123 0.990784 0.373658 Pb\n0.960222 0.592237 0.635935 N\n0.039778 0.407763 0.364065 N\n0.958549 0.724295 0.898299 N\n0.041451 0.275705 0.101701 N\n0.539633 0.688246 0.864122 N\n0.460367 0.311754 0.135878 N\n0.459069 0.918846 0.397964 N\n0.540931 0.081154 0.602036 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Pb",
"N"
],
"chemical_system": "N-Pb-Ti",
"density": 8.047916826162426,
"density_atomic": 0.04676681583152388,
"volume": 384.8882948294895,
"volume_molar": 12.876952712997591,
"formula_full": "Ti2 Pb8 N8",
"formula_reduced": "Ti(PbN)4",
"formula_anonymous": "AB4C4",
"energy": -113.86879084,
"energy_per_atom": -6.326043935555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.98079084,
"band_gap": 1.3751000000000009,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.650000Z",
"spacegroup": 15
},
{
"id": "mp-1274911",
"created_at": "2022-09-04T14:48:13.501755Z",
"structure_string": "Ba4 V4 O10\n1.0\n0.000838 4.044608 -0.000028\n-0.000811 -0.000063 8.088134\n8.320692 0.001704 4.043249\nBa V O\n4 4 10\ndirect\n0.008231 0.999785 0.000052 Ba\n0.008132 0.500200 0.999974 Ba\n0.010768 0.750422 0.499831 Ba\n0.010733 0.249708 0.499915 Ba\n0.513314 0.618843 0.262339 V\n0.513146 0.880956 0.737881 V\n0.512575 0.119317 0.261672 V\n0.512848 0.380951 0.737863 V\n0.486250 0.000022 0.500016 O\n0.483592 0.499939 0.500119 O\n0.495540 0.884747 0.229824 O\n0.495486 0.384837 0.229799 O\n0.494746 0.614874 0.770808 O\n0.494787 0.114936 0.770821 O\n0.990896 0.136168 0.227175 O\n0.990123 0.635401 0.228646 O\n0.989903 0.864446 0.771661 O\n0.988941 0.364450 0.771609 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 5.569893072257133,
"density_atomic": 0.06612522199833012,
"volume": 272.2108063463977,
"volume_molar": 9.107176623395045,
"formula_full": "Ba4 V4 O10",
"formula_reduced": "Ba2V2O5",
"formula_anonymous": "A2B2C5",
"energy": -141.65317662,
"energy_per_atom": -7.869620923333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.98317662,
"band_gap": 0.2952999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.228000Z",
"spacegroup": 25
},
{
"id": "mp-753695",
"created_at": "2022-09-04T14:48:13.502447Z",
"structure_string": "Li2 Fe3 Ni1 O8\n1.0\n2.841985 4.874266 0.000000\n-2.841985 4.874266 0.000000\n0.000000 3.203494 4.870521\nLi Fe Ni O\n2 3 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Ni\n0.762245 0.273439 0.209673 O\n0.263778 0.263778 0.205585 O\n0.273439 0.762245 0.209673 O\n0.762369 0.762369 0.201368 O\n0.237631 0.237631 0.798632 O\n0.726561 0.237755 0.790327 O\n0.736222 0.736222 0.794415 O\n0.237755 0.726561 0.790327 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.529863324933709,
"density_atomic": 0.10375083781946123,
"volume": 134.93866935669146,
"volume_molar": 5.80442614880782,
"formula_full": "Li2 Fe3 Ni1 O8",
"formula_reduced": "Li2Fe3NiO8",
"formula_anonymous": "AB2C3D8",
"energy": -94.35292181,
"energy_per_atom": -6.739494415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.54792181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9981946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.624000Z",
"spacegroup": 12
},
{
"id": "mp-709058",
"created_at": "2022-09-04T14:48:13.511510Z",
"structure_string": "K6 Er2 H18 C12 O28\n1.0\n4.647561 5.763793 0.000000\n-4.647561 5.763793 0.000000\n0.000000 0.844816 16.374905\nK Er H C O\n6 2 18 12 28\ndirect\n0.383962 0.852502 0.743882 K\n0.852502 0.383962 0.243882 K\n0.319298 0.430922 0.374618 K\n0.430922 0.319298 0.874618 K\n0.887773 0.052941 0.667576 K\n0.052941 0.887773 0.167576 K\n0.517518 0.967948 0.500010 Er\n0.967948 0.517518 0.000010 Er\n0.140630 0.675738 0.557160 H\n0.675738 0.140630 0.057160 H\n0.717871 0.510737 0.528661 H\n0.510737 0.717871 0.028661 H\n0.216160 0.872688 0.345953 H\n0.872688 0.216160 0.845953 H\n0.957422 0.770697 0.441729 H\n0.770697 0.957422 0.941729 H\n0.935034 0.255581 0.447291 H\n0.255581 0.935034 0.947291 H\n0.334996 0.382176 0.645854 H\n0.382176 0.334996 0.145854 H\n0.557937 0.695327 0.325561 H\n0.695327 0.557937 0.825561 H\n0.511220 0.707485 0.233004 H\n0.707485 0.511220 0.733004 H\n0.978845 0.589181 0.721226 H\n0.589181 0.978845 0.221226 H\n0.247153 0.757376 0.540371 C\n0.757376 0.247153 0.040371 C\n0.749671 0.576103 0.584733 C\n0.576103 0.749671 0.084733 C\n0.235343 0.017515 0.339184 C\n0.017515 0.235343 0.839184 C\n0.875359 0.737104 0.390840 C\n0.737104 0.875359 0.890840 C\n0.806551 0.198526 0.447970 C\n0.198526 0.806551 0.947970 C\n0.395643 0.264923 0.606188 C\n0.264923 0.395643 0.106188 C\n0.361890 0.706573 0.482116 O\n0.706573 0.361890 0.982116 O\n0.250671 0.899947 0.581225 O\n0.899947 0.250671 0.081225 O\n0.684008 0.749572 0.589807 O\n0.749572 0.684008 0.089807 O\n0.844438 0.473552 0.637745 O\n0.473552 0.844438 0.137745 O\n0.340746 0.064491 0.391126 O\n0.064491 0.340746 0.891126 O\n0.155021 0.120560 0.283406 O\n0.120560 0.155021 0.783406 O\n0.699177 0.793708 0.399683 O\n0.793708 0.699177 0.899683 O\n0.961209 0.649664 0.332543 O\n0.649664 0.961209 0.832543 O\n0.789185 0.082706 0.506941 O\n0.082706 0.789185 0.006941 O\n0.692364 0.249787 0.393211 O\n0.249787 0.692364 0.893211 O\n0.505361 0.124731 0.636478 O\n0.124731 0.505361 0.136478 O\n0.351538 0.274425 0.531605 O\n0.274425 0.351538 0.031605 O\n0.514906 0.626573 0.282373 O\n0.626573 0.514906 0.782373 O\n0.061566 0.677175 0.725330 O\n0.677175 0.061566 0.225330 O\n",
"nsites": 66,
"nelements": 5,
"elements": [
"K",
"Er",
"H",
"C",
"O"
],
"chemical_system": "C-Er-H-K-O",
"density": 2.23230785269475,
"density_atomic": 0.0752318388019189,
"volume": 877.2881409129743,
"volume_molar": 8.004776775237342,
"formula_full": "K6 Er2 H18 C12 O28",
"formula_reduced": "K3ErH9(C3O7)2",
"formula_anonymous": "AB3C6D9E14",
"energy": -428.30717493,
"energy_per_atom": -6.489502650454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -409.07117493,
"band_gap": 0.3059,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000982,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.395000Z",
"spacegroup": 9
},
{
"id": "mp-1238832",
"created_at": "2022-09-04T14:48:13.687730Z",
"structure_string": "Zn2 Cl6\n1.0\n4.902853 -8.491991 0.000000\n4.902853 8.491991 0.000000\n0.000000 0.000000 2.909555\nZn Cl\n2 6\ndirect\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n0.556514 0.719035 0.750000 Cl\n0.837479 0.556514 0.250000 Cl\n0.443486 0.280965 0.250000 Cl\n0.162521 0.443486 0.750000 Cl\n0.280965 0.837479 0.750000 Cl\n0.719035 0.162521 0.250000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Cl"
],
"chemical_system": "Cl-Zn",
"density": 2.3545417076245005,
"density_atomic": 0.03301984442621582,
"volume": 242.2785491275201,
"volume_molar": 18.237944074681266,
"formula_full": "Zn2 Cl6",
"formula_reduced": "ZnCl3",
"formula_anonymous": "AB3",
"energy": -21.54194147,
"energy_per_atom": -2.69274268375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.85794147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.045000Z",
"spacegroup": 176
},
{
"id": "mp-1209149",
"created_at": "2022-09-04T14:48:13.448415Z",
"structure_string": "Sr4 Dy2 Cu4 Bi4 O16\n1.0\n2.752219 -15.405751 0.000000\n2.752219 15.405751 0.000000\n0.000000 0.000000 5.355045\nSr Dy Cu Bi O\n4 2 4 4 16\ndirect\n0.612959 0.889715 0.500000 Sr\n0.387041 0.110285 0.500000 Sr\n0.110285 0.387041 0.000000 Sr\n0.889715 0.612959 0.000000 Sr\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.050283 0.450232 0.500000 Cu\n0.949717 0.549768 0.500000 Cu\n0.549768 0.949717 0.000000 Cu\n0.450232 0.050283 0.000000 Cu\n0.224303 0.320663 0.500000 Bi\n0.775697 0.679337 0.500000 Bi\n0.679337 0.775697 0.000000 Bi\n0.320663 0.224303 0.000000 Bi\n0.125881 0.358367 0.500000 O\n0.874119 0.641633 0.500000 O\n0.641633 0.874119 0.000000 O\n0.358367 0.125881 0.000000 O\n0.701959 0.298041 0.750000 O\n0.298041 0.701959 0.250000 O\n0.298041 0.701959 0.750000 O\n0.701959 0.298041 0.250000 O\n0.614831 0.715946 0.500000 O\n0.385169 0.284054 0.500000 O\n0.284054 0.385169 0.000000 O\n0.715946 0.614831 0.000000 O\n0.798012 0.201988 0.750000 O\n0.201988 0.798012 0.250000 O\n0.201988 0.798012 0.750000 O\n0.798012 0.201988 0.250000 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Sr",
"Dy",
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-Dy-O-Sr",
"density": 7.392310278336078,
"density_atomic": 0.06606360540457389,
"volume": 454.107822548888,
"volume_molar": 9.115670758688353,
"formula_full": "Sr4 Dy2 Cu4 Bi4 O16",
"formula_reduced": "Sr2DyCu2(BiO4)2",
"formula_anonymous": "AB2C2D2E8",
"energy": -192.59060059,
"energy_per_atom": -6.419686686333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.59860059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3564271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.960000Z",
"spacegroup": 66
},
{
"id": "mp-1191461",
"created_at": "2022-09-04T14:48:13.453207Z",
"structure_string": "P4 Pb2 O16\n1.0\n6.111573 0.000000 0.000000\n-0.517859 7.684032 0.000000\n-2.797092 -3.083832 7.299093\nP Pb O\n4 2 16\ndirect\n0.001012 0.754711 0.649230 P\n0.998988 0.245289 0.350770 P\n0.669065 0.227620 0.811461 P\n0.330935 0.772380 0.188539 P\n0.321677 0.215326 0.085573 Pb\n0.678323 0.784674 0.914427 Pb\n0.787151 0.608987 0.617913 O\n0.212849 0.391013 0.382087 O\n0.937898 0.793741 0.471886 O\n0.062102 0.206259 0.528114 O\n0.022590 0.926647 0.819968 O\n0.977410 0.073353 0.180032 O\n0.233113 0.681171 0.678274 O\n0.766887 0.318829 0.321726 O\n0.937119 0.302186 0.923782 O\n0.062881 0.697814 0.076218 O\n0.544900 0.397612 0.832123 O\n0.455100 0.602388 0.167877 O\n0.641822 0.141835 0.606322 O\n0.358178 0.858165 0.393678 O\n0.554556 0.085274 0.867399 O\n0.445444 0.914726 0.132601 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"P",
"Pb",
"O"
],
"chemical_system": "O-P-Pb",
"density": 3.847819027384354,
"density_atomic": 0.06418175897618844,
"volume": 342.7765201661432,
"volume_molar": 9.38294751665224,
"formula_full": "P4 Pb2 O16",
"formula_reduced": "P2PbO8",
"formula_anonymous": "AB2C8",
"energy": -146.95109062,
"energy_per_atom": -6.679595028181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.95909062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000026,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:36.273000Z",
"spacegroup": 2
}
]
}