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=10183",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=10181",
"results": [
{
"id": "mp-549127",
"created_at": "2022-09-04T14:44:24.524203Z",
"structure_string": "Ho1 Bi2 Cl1 O4\n1.0\n3.888732 0.000000 0.000000\n0.000000 3.888732 0.000000\n0.000000 0.000000 9.050243\nHo Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.277236 Bi\n0.500000 0.500000 0.722764 Bi\n0.000000 0.000000 0.500000 Cl\n0.000000 0.500000 0.152143 O\n0.000000 0.500000 0.847857 O\n0.500000 0.000000 0.847857 O\n0.500000 0.000000 0.152143 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ho",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-Ho-O",
"density": 8.278940385967152,
"density_atomic": 0.058453930520528524,
"volume": 136.85991564229317,
"volume_molar": 10.302370954995192,
"formula_full": "Ho1 Bi2 Cl1 O4",
"formula_reduced": "HoBi2ClO4",
"formula_anonymous": "ABC2D4",
"energy": -53.77918229,
"energy_per_atom": -6.72239778625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.41718229,
"band_gap": 1.3709999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005312,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.304000Z",
"spacegroup": 123
},
{
"id": "mp-23009",
"created_at": "2022-09-04T14:44:24.525626Z",
"structure_string": "Ca2 Br1 N1\n1.0\n7.014435 -1.862179 0.000000\n7.014435 1.862179 0.000000\n6.520067 0.000000 3.187277\nCa Br N\n2 1 1\ndirect\n0.225424 0.225424 0.225424 Ca\n0.774576 0.774576 0.774576 Ca\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Br",
"N"
],
"chemical_system": "Br-Ca-N",
"density": 3.4713697052449017,
"density_atomic": 0.04803923324153065,
"volume": 83.26527569432434,
"volume_molar": 12.535880266285698,
"formula_full": "Ca2 Br1 N1",
"formula_reduced": "Ca2BrN",
"formula_anonymous": "ABC2",
"energy": -20.52703084,
"energy_per_atom": -5.13175771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.63203084,
"band_gap": 2.4254,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.57e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.491000Z",
"spacegroup": 166
},
{
"id": "mp-1222467",
"created_at": "2022-09-04T14:44:24.621557Z",
"structure_string": "Li1 Ag3 Ir2 O6\n1.0\n4.627101 2.664722 -0.000084\n-4.632935 2.674826 0.000168\n-1.544484 0.891709 6.387482\nLi Ag Ir O\n1 3 2 6\ndirect\n0.333333 0.166667 0.500000 Li\n0.672442 0.336220 0.000000 Ag\n0.333333 0.666667 0.000000 Ag\n0.994225 0.997113 0.000000 Ag\n0.999681 0.499840 0.500000 Ir\n0.666986 0.833493 0.500000 Ir\n0.333333 0.757857 0.664943 O\n0.979640 0.112430 0.664017 O\n0.687027 0.466123 0.664017 O\n0.687027 0.220903 0.335983 O\n0.333333 0.575477 0.335057 O\n0.979640 0.867210 0.335983 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ag",
"Ir",
"O"
],
"chemical_system": "Ag-Ir-Li-O",
"density": 8.527948351008707,
"density_atomic": 0.07599214583149001,
"volume": 157.9110560532083,
"volume_molar": 7.924688392605588,
"formula_full": "Li1 Ag3 Ir2 O6",
"formula_reduced": "LiAg3(IrO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -70.05623315,
"energy_per_atom": -5.838019429166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.93423315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.035000Z",
"spacegroup": 12
},
{
"id": "mp-1307565",
"created_at": "2022-09-04T14:44:24.501754Z",
"structure_string": "Li4 Cr6 Sn2 O16\n1.0\n-3.003812 1.733328 4.904583\n2.988265 -5.149460 -0.027396\n9.285454 5.333884 0.120404\nLi Cr Sn O\n4 6 2 16\ndirect\n0.123928 0.065536 0.181291 Li\n0.122966 0.565600 0.681252 Li\n0.877050 0.434423 0.318781 Li\n0.876110 0.934379 0.818747 Li\n0.500079 0.000033 0.999958 Cr\n0.000085 0.000250 0.499992 Cr\n0.999997 0.499969 0.000011 Cr\n0.500065 0.999906 0.500062 Cr\n0.499849 0.500000 0.000033 Cr\n0.499885 0.499969 0.499870 Cr\n0.504323 0.250052 0.750019 Sn\n0.495725 0.750039 0.249972 Sn\n0.276479 0.148729 0.399708 O\n0.271824 0.648767 0.899664 O\n0.728115 0.351182 0.100320 O\n0.723549 0.851179 0.600272 O\n0.717824 0.362551 0.614020 O\n0.713560 0.866121 0.112953 O\n0.256943 0.901157 0.615450 O\n0.259718 0.401069 0.115495 O\n0.265534 0.366176 0.612957 O\n0.258765 0.862585 0.114011 O\n0.741306 0.137392 0.885993 O\n0.734532 0.633973 0.387029 O\n0.740181 0.598868 0.884587 O\n0.743028 0.098908 0.384541 O\n0.286456 0.133857 0.887064 O\n0.282126 0.637329 0.385951 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Li-O-Sn",
"density": 4.419409095485028,
"density_atomic": 0.08944363055802715,
"volume": 313.0463267793542,
"volume_molar": 6.732889443807959,
"formula_full": "Li4 Cr6 Sn2 O16",
"formula_reduced": "Li2Cr3SnO8",
"formula_anonymous": "AB2C3D8",
"energy": -216.01836401,
"energy_per_atom": -7.714941571785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.03236401,
"band_gap": 0.9602999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.774000Z",
"spacegroup": 15
},
{
"id": "mp-1188897",
"created_at": "2022-09-04T14:44:24.501841Z",
"structure_string": "Be2 S2 O16\n1.0\n-3.848540 3.848540 5.288628\n3.848540 -3.848540 5.288628\n3.848540 3.848540 -5.288628\nBe S O\n2 2 16\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n0.486086 0.708268 0.033281 O\n0.674987 0.452805 0.966719 O\n0.174987 0.208268 0.222182 O\n0.986086 0.952805 0.777818 O\n0.547195 0.513914 0.222182 O\n0.291732 0.325013 0.777818 O\n0.047195 0.825013 0.033281 O\n0.791732 0.013914 0.966719 O\n0.229512 0.772382 0.708685 O\n0.063697 0.520827 0.291315 O\n0.563697 0.272382 0.542870 O\n0.729512 0.020827 0.457130 O\n0.479173 0.770488 0.542870 O\n0.227618 0.936303 0.457130 O\n0.979173 0.436303 0.708685 O\n0.727618 0.270488 0.291315 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"S",
"O"
],
"chemical_system": "Be-O-S",
"density": 1.7920773200063338,
"density_atomic": 0.06383148891586114,
"volume": 313.3249801890538,
"volume_molar": 9.434435671613468,
"formula_full": "Be2 S2 O16",
"formula_reduced": "BeSO8",
"formula_anonymous": "ABC8",
"energy": -105.80387519,
"energy_per_atom": -5.2901937595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.81187519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.998992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.400000Z",
"spacegroup": 120
},
{
"id": "mp-776501",
"created_at": "2022-09-04T14:44:24.506921Z",
"structure_string": "Li4 Mn2 V2 P4 O16 F4\n1.0\n6.951355 0.000000 0.000000\n3.365681 6.639760 0.000000\n0.229094 0.285555 7.955516\nLi Mn V P O F\n4 2 2 4 16 4\ndirect\n0.743818 0.813622 0.828652 Li\n0.246967 0.810159 0.324829 Li\n0.753033 0.189841 0.675171 Li\n0.256182 0.186378 0.171348 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.277525 0.238876 0.838437 P\n0.786307 0.235339 0.338689 P\n0.213693 0.764661 0.661311 P\n0.722475 0.761124 0.161563 P\n0.401629 0.615184 0.768651 O\n0.276958 0.912297 0.559488 O\n0.218112 0.083880 0.937644 O\n0.327155 0.343608 0.982929 O\n0.089220 0.388543 0.729351 O\n0.841661 0.339937 0.482071 O\n0.006683 0.888106 0.770469 O\n0.514441 0.880299 0.267493 O\n0.485559 0.119701 0.732507 O\n0.993317 0.111894 0.229531 O\n0.158339 0.660063 0.517929 O\n0.910780 0.611457 0.270649 O\n0.672845 0.656392 0.017071 O\n0.781888 0.916120 0.062356 O\n0.723042 0.087703 0.440512 O\n0.598371 0.384816 0.231349 O\n0.757304 0.272249 0.893965 F\n0.720943 0.749438 0.603912 F\n0.279057 0.250562 0.396088 F\n0.242696 0.727751 0.106035 F\n",
"nsites": 32,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P-V",
"density": 3.144813706632004,
"density_atomic": 0.08714847161204962,
"volume": 367.1894573487334,
"volume_molar": 6.910208117944028,
"formula_full": "Li4 Mn2 V2 P4 O16 F4",
"formula_reduced": "Li2MnVP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -240.1643087,
"energy_per_atom": -7.505134646875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.5883087,
"band_gap": 0.3185000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.232000Z",
"spacegroup": 2
},
{
"id": "mp-1080061",
"created_at": "2022-09-04T14:44:24.507669Z",
"structure_string": "Dy2 Si4 Pt4\n1.0\n4.187352 0.000000 0.000000\n0.000000 4.187352 0.000000\n0.000000 0.000000 9.879444\nDy Si Pt\n2 4 4\ndirect\n0.000000 0.500000 0.254210 Dy\n0.500000 0.000000 0.745790 Dy\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.865289 Si\n0.500000 0.000000 0.134711 Si\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.624010 Pt\n0.500000 0.000000 0.375990 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Pt"
],
"chemical_system": "Dy-Pt-Si",
"density": 11.67266744144697,
"density_atomic": 0.05772827167884694,
"volume": 173.2253488486863,
"volume_molar": 10.43187433966893,
"formula_full": "Dy2 Si4 Pt4",
"formula_reduced": "Dy(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -66.05881657,
"energy_per_atom": -6.605881657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05881657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106499,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.117000Z",
"spacegroup": 129
},
{
"id": "mp-12620",
"created_at": "2022-09-04T14:44:24.515509Z",
"structure_string": "Nd2 Se2 F2\n1.0\n4.049555 0.000000 0.000000\n0.000000 4.049555 0.000000\n0.000000 0.000000 7.242600\nNd Se F\n2 2 2\ndirect\n0.000000 0.500000 0.782212 Nd\n0.500000 0.000000 0.217788 Nd\n0.500000 0.000000 0.644028 Se\n0.000000 0.500000 0.355972 Se\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Se",
"F"
],
"chemical_system": "F-Nd-Se",
"density": 6.772435085752533,
"density_atomic": 0.05051753446683614,
"volume": 118.77064198251585,
"volume_molar": 11.920892069571268,
"formula_full": "Nd2 Se2 F2",
"formula_reduced": "NdSeF",
"formula_anonymous": "ABC",
"energy": -39.46614708,
"energy_per_atom": -6.5776911799999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.59814708,
"band_gap": 0.9158,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.459000Z",
"spacegroup": 129
},
{
"id": "mp-5260",
"created_at": "2022-09-04T14:44:24.515556Z",
"structure_string": "Ho1 Ge2 Ru2\n1.0\n-2.135046 2.135046 4.918143\n2.135046 -2.135046 4.918143\n2.135046 2.135046 -4.918143\nHo Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.630057 0.630057 0.000000 Ge\n0.369943 0.369943 0.000000 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ho-Ru",
"density": 9.487253234103944,
"density_atomic": 0.05575635672608083,
"volume": 89.6758736329194,
"volume_molar": 10.800814675868263,
"formula_full": "Ho1 Ge2 Ru2",
"formula_reduced": "Ho(GeRu)2",
"formula_anonymous": "AB2C2",
"energy": -35.5924141,
"energy_per_atom": -7.11848282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.5924141,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.383000Z",
"spacegroup": 139
},
{
"id": "mp-1043530",
"created_at": "2022-09-04T14:44:24.516986Z",
"structure_string": "Mg4 Fe4 Ge8 O24\n1.0\n9.175838 0.000000 0.000000\n0.000000 5.465324 0.000000\n0.000000 2.474279 9.608841\nMg Fe Ge O\n4 4 8 24\ndirect\n0.487753 0.552469 0.242560 Mg\n0.987753 0.947531 0.757440 Mg\n0.512247 0.447531 0.757440 Mg\n0.012247 0.052469 0.242560 Mg\n0.655084 0.044523 0.246261 Fe\n0.155084 0.455477 0.753739 Fe\n0.344916 0.955477 0.753739 Fe\n0.844916 0.544523 0.246261 Fe\n0.338512 0.177722 0.054979 Ge\n0.838512 0.322278 0.945021 Ge\n0.661488 0.822278 0.945021 Ge\n0.161488 0.677722 0.054979 Ge\n0.343781 0.749794 0.457506 Ge\n0.843781 0.750206 0.542494 Ge\n0.656219 0.250206 0.542494 Ge\n0.156219 0.249794 0.457506 Ge\n0.290544 0.485529 0.387698 O\n0.790544 0.014471 0.612302 O\n0.709456 0.514471 0.612302 O\n0.209456 0.985529 0.387698 O\n0.320910 0.832622 0.109227 O\n0.820910 0.667378 0.890773 O\n0.679090 0.167378 0.890773 O\n0.179090 0.332622 0.109227 O\n0.992766 0.303120 0.366949 O\n0.492766 0.196880 0.633051 O\n0.007234 0.696880 0.633051 O\n0.507234 0.803120 0.366949 O\n0.017531 0.775717 0.140262 O\n0.517531 0.724283 0.859738 O\n0.982469 0.224283 0.859738 O\n0.482469 0.275717 0.140262 O\n0.338917 0.251172 0.871116 O\n0.838917 0.248828 0.128884 O\n0.661083 0.748828 0.128884 O\n0.161083 0.751172 0.871116 O\n0.346731 0.671699 0.639338 O\n0.846731 0.828301 0.360662 O\n0.653269 0.328301 0.360662 O\n0.153269 0.171699 0.639338 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"Ge",
"O"
],
"chemical_system": "Fe-Ge-Mg-O",
"density": 4.430553398558138,
"density_atomic": 0.0830094112370173,
"volume": 481.87307202779385,
"volume_molar": 7.254768670512483,
"formula_full": "Mg4 Fe4 Ge8 O24",
"formula_reduced": "MgFe(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -285.2541457,
"energy_per_atom": -7.1313536425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.7421457,
"band_gap": 1.5062000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.444000Z",
"spacegroup": 14
},
{
"id": "mp-777477",
"created_at": "2022-09-04T14:44:24.579069Z",
"structure_string": "Li4 Fe4 F16\n1.0\n4.720871 0.000000 0.000000\n0.000000 6.126987 0.000000\n0.000000 0.319391 10.090916\nLi Fe F\n4 4 16\ndirect\n0.225615 0.741324 0.727958 Li\n0.774385 0.741324 0.227958 Li\n0.750844 0.217388 0.776542 Li\n0.249156 0.217388 0.276542 Li\n0.747437 0.988847 0.503100 Fe\n0.252563 0.988847 0.003100 Fe\n0.746304 0.489461 0.504600 Fe\n0.253696 0.489461 0.004600 Fe\n0.492345 0.737497 0.073968 F\n0.948356 0.978920 0.667663 F\n0.507655 0.737497 0.573968 F\n0.051644 0.978920 0.167663 F\n0.024256 0.743963 0.935603 F\n0.975744 0.743963 0.435603 F\n0.439890 0.503617 0.839510 F\n0.942503 0.477008 0.668397 F\n0.560110 0.503617 0.339510 F\n0.057497 0.477008 0.168397 F\n0.523152 0.233726 0.573957 F\n0.476848 0.233726 0.073957 F\n0.451028 0.997552 0.839476 F\n0.988136 0.239778 0.434632 F\n0.548972 0.997552 0.339476 F\n0.011864 0.239778 0.934632 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.158166897255287,
"density_atomic": 0.08222645338905137,
"volume": 291.87687186804595,
"volume_molar": 7.3238483624077375,
"formula_full": "Li4 Fe4 F16",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy": -138.71775286,
"energy_per_atom": -5.779906369166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.30175286,
"band_gap": 2.593,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.684000Z",
"spacegroup": 7
},
{
"id": "mp-1221022",
"created_at": "2022-09-04T14:44:24.536184Z",
"structure_string": "Na1 Nb4 P6 O24\n1.0\n7.874505 -4.441182 0.000000\n7.874505 4.441182 0.000000\n5.369701 0.000000 7.273118\nNa Nb P O\n1 4 6 24\ndirect\n0.500000 0.500000 0.500000 Na\n0.354676 0.354676 0.354676 Nb\n0.858526 0.858526 0.858526 Nb\n0.645325 0.645324 0.645324 Nb\n0.141474 0.141474 0.141474 Nb\n0.960594 0.537288 0.250118 P\n0.250118 0.960594 0.537288 P\n0.537288 0.250118 0.960594 P\n0.749882 0.039406 0.462712 P\n0.462712 0.749882 0.039406 P\n0.039406 0.462712 0.749882 P\n0.287328 0.124420 0.506672 O\n0.506672 0.287328 0.124420 O\n0.124420 0.506672 0.287328 O\n0.003489 0.629372 0.786386 O\n0.786386 0.003489 0.629372 O\n0.629372 0.786386 0.003489 O\n0.712672 0.875580 0.493328 O\n0.493328 0.712672 0.875580 O\n0.875580 0.493328 0.712672 O\n0.996511 0.370628 0.213614 O\n0.213614 0.996511 0.370628 O\n0.370628 0.213614 0.996511 O\n0.218472 0.438918 0.582948 O\n0.582948 0.218472 0.438918 O\n0.438918 0.582948 0.218472 O\n0.082096 0.936249 0.713070 O\n0.713070 0.082096 0.936249 O\n0.936249 0.713070 0.082096 O\n0.781528 0.561082 0.417052 O\n0.417052 0.781528 0.561082 O\n0.561082 0.417052 0.781528 O\n0.917904 0.063751 0.286930 O\n0.286930 0.917904 0.063751 O\n0.063751 0.286930 0.917904 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Na",
"Nb",
"P",
"O"
],
"chemical_system": "Na-Nb-O-P",
"density": 3.1481354301990323,
"density_atomic": 0.06880113154333733,
"volume": 508.712563512909,
"volume_molar": 8.752967611014794,
"formula_full": "Na1 Nb4 P6 O24",
"formula_reduced": "NaNb4(PO4)6",
"formula_anonymous": "AB4C6D24",
"energy": -291.44358973,
"energy_per_atom": -8.326959706571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.95558973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9951388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.520000Z",
"spacegroup": 148
}
]
}