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=12180",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=12178",
"results": [
{
"id": "mp-1184291",
"created_at": "2022-09-04T14:41:34.902942Z",
"structure_string": "Eu2 Zn1 Sn1\n1.0\n0.000000 3.925859 3.925859\n3.925859 0.000000 3.925859\n3.925859 3.925859 0.000000\nEu Zn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Sn"
],
"chemical_system": "Eu-Sn-Zn",
"density": 6.6969438351286055,
"density_atomic": 0.03305414310580404,
"volume": 121.01357421961522,
"volume_molar": 18.21901944553075,
"formula_full": "Eu2 Zn1 Sn1",
"formula_reduced": "Eu2ZnSn",
"formula_anonymous": "ABC2",
"energy": -27.89432949,
"energy_per_atom": -6.9735823725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.89432949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0952987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.665000Z",
"spacegroup": 225
},
{
"id": "mp-1211636",
"created_at": "2022-09-04T14:41:34.906940Z",
"structure_string": "Sm30 Ni56 P42\n1.0\n-0.000000 0.000000 -3.917854\n-12.153672 -21.050778 0.000000\n-12.153673 21.050778 0.000000\nSm Ni P\n30 56 42\ndirect\n0.750000 0.614345 0.757415 Sm\n0.250000 0.385655 0.242585 Sm\n0.750000 0.143069 0.385655 Sm\n0.250000 0.856931 0.614345 Sm\n0.750000 0.242585 0.856931 Sm\n0.250000 0.757415 0.143069 Sm\n0.750000 0.467693 0.584909 Sm\n0.250000 0.532307 0.415091 Sm\n0.750000 0.117217 0.532307 Sm\n0.250000 0.882783 0.467693 Sm\n0.750000 0.415091 0.882783 Sm\n0.250000 0.584909 0.117217 Sm\n0.750000 0.587236 0.908080 Sm\n0.250000 0.412764 0.091920 Sm\n0.750000 0.320843 0.412764 Sm\n0.250000 0.679157 0.587236 Sm\n0.750000 0.091920 0.679157 Sm\n0.250000 0.908080 0.320843 Sm\n0.750000 0.440770 0.733866 Sm\n0.250000 0.559230 0.266134 Sm\n0.750000 0.293096 0.559230 Sm\n0.250000 0.706904 0.440770 Sm\n0.750000 0.266134 0.706904 Sm\n0.250000 0.733866 0.293096 Sm\n0.750000 0.758386 0.930708 Sm\n0.250000 0.241614 0.069292 Sm\n0.750000 0.172322 0.241614 Sm\n0.250000 0.827678 0.758386 Sm\n0.750000 0.069292 0.827678 Sm\n0.250000 0.930708 0.172322 Sm\n0.750000 0.610621 0.629398 Ni\n0.250000 0.389379 0.370602 Ni\n0.750000 0.018777 0.389379 Ni\n0.250000 0.981223 0.610621 Ni\n0.750000 0.370602 0.981223 Ni\n0.250000 0.629398 0.018777 Ni\n0.750000 0.692208 0.185076 Ni\n0.250000 0.307792 0.814924 Ni\n0.750000 0.492868 0.307792 Ni\n0.250000 0.507132 0.692208 Ni\n0.750000 0.814924 0.507132 Ni\n0.250000 0.185076 0.492868 Ni\n0.750000 0.994016 0.537228 Ni\n0.250000 0.005984 0.462772 Ni\n0.750000 0.543212 0.005984 Ni\n0.250000 0.456788 0.994016 Ni\n0.750000 0.462772 0.456788 Ni\n0.250000 0.537228 0.543212 Ni\n0.750000 0.666667 0.333333 Ni\n0.250000 0.333333 0.666667 Ni\n0.750000 0.900145 0.965494 Ni\n0.250000 0.099855 0.034506 Ni\n0.750000 0.065349 0.099855 Ni\n0.250000 0.934651 0.900145 Ni\n0.750000 0.034506 0.934651 Ni\n0.250000 0.965494 0.065349 Ni\n0.750000 0.715637 0.031290 Ni\n0.250000 0.284363 0.968710 Ni\n0.750000 0.315653 0.284363 Ni\n0.250000 0.684347 0.715637 Ni\n0.750000 0.968710 0.684347 Ni\n0.250000 0.031290 0.315653 Ni\n0.750000 0.887964 0.060857 Ni\n0.250000 0.112036 0.939143 Ni\n0.750000 0.172893 0.112036 Ni\n0.250000 0.827107 0.887964 Ni\n0.750000 0.939143 0.827107 Ni\n0.250000 0.060857 0.172893 Ni\n0.750000 0.840448 0.359960 Ni\n0.250000 0.159552 0.640040 Ni\n0.750000 0.519512 0.159552 Ni\n0.250000 0.480488 0.840448 Ni\n0.750000 0.640040 0.480488 Ni\n0.250000 0.359960 0.519512 Ni\n0.750000 0.759750 0.802298 Ni\n0.250000 0.240250 0.197702 Ni\n0.750000 0.042548 0.240250 Ni\n0.250000 0.957452 0.759750 Ni\n0.750000 0.197702 0.957452 Ni\n0.250000 0.802298 0.042548 Ni\n0.750000 0.865359 0.211181 Ni\n0.250000 0.134641 0.788819 Ni\n0.750000 0.345823 0.134641 Ni\n0.250000 0.654177 0.865359 Ni\n0.750000 0.788819 0.654177 Ni\n0.250000 0.211181 0.345823 Ni\n0.750000 0.994948 0.130526 P\n0.250000 0.005052 0.869474 P\n0.750000 0.135578 0.005052 P\n0.250000 0.864422 0.994948 P\n0.750000 0.869474 0.864422 P\n0.250000 0.130526 0.135578 P\n0.750000 0.823487 0.104411 P\n0.250000 0.176513 0.895589 P\n0.750000 0.280924 0.176513 P\n0.250000 0.719076 0.823487 P\n0.750000 0.895589 0.719076 P\n0.250000 0.104411 0.280924 P\n0.750000 0.799585 0.252448 P\n0.250000 0.200415 0.747552 P\n0.750000 0.452863 0.200415 P\n0.250000 0.547137 0.799585 P\n0.750000 0.747552 0.547137 P\n0.250000 0.252448 0.452863 P\n0.750000 0.946571 0.426097 P\n0.250000 0.053429 0.573903 P\n0.750000 0.479526 0.053429 P\n0.250000 0.520474 0.946571 P\n0.750000 0.573903 0.520474 P\n0.250000 0.426097 0.479526 P\n0.750000 0.652028 0.078673 P\n0.250000 0.347972 0.921327 P\n0.750000 0.426646 0.347972 P\n0.250000 0.573354 0.652028 P\n0.750000 0.921327 0.573354 P\n0.250000 0.078673 0.426646 P\n0.750000 0.773533 0.400127 P\n0.250000 0.226467 0.599873 P\n0.750000 0.626594 0.226467 P\n0.250000 0.373406 0.773533 P\n0.750000 0.599873 0.373406 P\n0.250000 0.400127 0.626594 P\n0.750000 0.971172 0.278592 P\n0.250000 0.028828 0.721408 P\n0.750000 0.307420 0.028828 P\n0.250000 0.692580 0.971172 P\n0.750000 0.721408 0.692580 P\n0.250000 0.278592 0.307420 P\n",
"nsites": 128,
"nelements": 3,
"elements": [
"Sm",
"Ni",
"P"
],
"chemical_system": "Ni-P-Sm",
"density": 7.5364414329499185,
"density_atomic": 0.06384928605827991,
"volume": 2004.7209280173474,
"volume_molar": 9.431805947686167,
"formula_full": "Sm30 Ni56 P42",
"formula_reduced": "Sm15(Ni4P3)7",
"formula_anonymous": "A15B21C28",
"energy": -823.91150368,
"energy_per_atom": -6.4368086225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -823.91150368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0086995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.761000Z",
"spacegroup": 176
},
{
"id": "mp-823",
"created_at": "2022-09-04T14:41:34.908136Z",
"structure_string": "Ti1 Co1\n1.0\n2.978077 0.000000 0.000000\n0.000000 2.978077 0.000000\n0.000000 0.000000 2.978077\nTi Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 6.714495321842168,
"density_atomic": 0.07572202648968708,
"volume": 26.412394024774137,
"volume_molar": 7.952957731288639,
"formula_full": "Ti1 Co1",
"formula_reduced": "TiCo",
"formula_anonymous": "AB",
"energy": -15.80484391,
"energy_per_atom": -7.902421955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.80484391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8779597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.563000Z",
"spacegroup": 221
},
{
"id": "mp-1075973",
"created_at": "2022-09-04T14:41:34.909192Z",
"structure_string": "Sm1 Mn1 O3\n1.0\n3.895077 0.000000 0.000000\n0.000000 3.895077 0.000000\n0.000000 0.000000 3.895077\nSm Mn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sm",
"density": 7.1175365612040435,
"density_atomic": 0.08461003251514758,
"volume": 59.09464695105582,
"volume_molar": 7.117525642035258,
"formula_full": "Sm1 Mn1 O3",
"formula_reduced": "SmMnO3",
"formula_anonymous": "ABC3",
"energy": -42.68252143,
"energy_per_atom": -8.536504286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.95352143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0002107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.232000Z",
"spacegroup": 221
},
{
"id": "mp-1227446",
"created_at": "2022-09-04T14:41:34.913035Z",
"structure_string": "Ca2 Sm1 Y1 Mn4 O12\n1.0\n7.616080 0.000000 0.000000\n0.000000 5.406646 0.000000\n0.000000 0.017850 5.542364\nCa Sm Y Mn O\n2 1 1 4 12\ndirect\n0.500000 0.010733 0.045873 Ca\n0.000000 0.510870 0.452960 Ca\n0.500000 0.484995 0.552582 Sm\n0.000000 0.983205 0.942585 Y\n0.248621 0.999783 0.496670 Mn\n0.751387 0.498846 0.002677 Mn\n0.751379 0.999783 0.496670 Mn\n0.248613 0.498846 0.002677 Mn\n0.500000 0.909292 0.475963 O\n0.500000 0.585039 0.975427 O\n0.000000 0.086886 0.533627 O\n0.000000 0.397949 0.024316 O\n0.198778 0.795787 0.204079 O\n0.798716 0.713932 0.714835 O\n0.704490 0.212949 0.786875 O\n0.295646 0.294220 0.293197 O\n0.295510 0.212949 0.786875 O\n0.704354 0.294220 0.293197 O\n0.801222 0.795787 0.204079 O\n0.201284 0.713932 0.714835 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Sm",
"Y",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sm-Y",
"density": 5.319993492526474,
"density_atomic": 0.08763458174203552,
"volume": 228.2204079991248,
"volume_molar": 6.871877106376798,
"formula_full": "Ca2 Sm1 Y1 Mn4 O12",
"formula_reduced": "Ca2SmYMn4O12",
"formula_anonymous": "ABC2D4E12",
"energy": -166.57396978000003,
"energy_per_atom": -8.328698489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.65796978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0010995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.548000Z",
"spacegroup": 6
},
{
"id": "mp-1111365",
"created_at": "2022-09-04T14:41:34.914076Z",
"structure_string": "Li2 Ag1 As1 F6\n1.0\n0.000000 4.406915 4.406915\n4.406915 0.000000 4.406915\n4.406915 4.406915 0.000000\nLi Ag As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.768192 0.231808 0.231808 F\n0.231808 0.231808 0.768192 F\n0.231808 0.768192 0.768192 F\n0.231808 0.768192 0.231808 F\n0.768192 0.231808 0.768192 F\n0.768192 0.768192 0.231808 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ag",
"As",
"F"
],
"chemical_system": "Ag-As-F-Li",
"density": 3.0137243018626987,
"density_atomic": 0.05842059588275108,
"volume": 171.17250943605217,
"volume_molar": 10.308249460663344,
"formula_full": "Li2 Ag1 As1 F6",
"formula_reduced": "Li2AgAsF6",
"formula_anonymous": "ABC2D6",
"energy": -43.80698584999999,
"energy_per_atom": -4.380698584999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.03498585,
"band_gap": 1.8182,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.517000Z",
"spacegroup": 225
},
{
"id": "mp-569885",
"created_at": "2022-09-04T14:41:47.014769Z",
"structure_string": "Cs2 Ta1 Cl6\n1.0\n0.000000 5.346926 5.346926\n5.346926 0.000000 5.346926\n5.346926 5.346926 0.000000\nCs Ta Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ta\n0.773231 0.226769 0.226769 Cl\n0.773231 0.226769 0.773231 Cl\n0.773231 0.773231 0.226769 Cl\n0.226769 0.226769 0.773231 Cl\n0.226769 0.773231 0.226769 Cl\n0.226769 0.773231 0.773231 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Ta",
"Cl"
],
"chemical_system": "Cl-Cs-Ta",
"density": 3.5818392583975065,
"density_atomic": 0.02943743685597843,
"volume": 305.7331398800842,
"volume_molar": 20.45742225949596,
"formula_full": "Cs2 Ta1 Cl6",
"formula_reduced": "Cs2TaCl6",
"formula_anonymous": "AB2C6",
"energy": -43.35789334,
"energy_per_atom": -4.817543704444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.67389334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998938,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.788000Z",
"spacegroup": 225
},
{
"id": "mp-1309814",
"created_at": "2022-09-04T14:41:34.934418Z",
"structure_string": "Li2 Ti2 Co2 O8\n1.0\n0.000949 -3.414998 4.829789\n-2.903537 5.209251 0.060682\n-2.921640 -5.220289 -0.069532\nLi Ti Co O\n2 2 2 8\ndirect\n0.121021 0.874850 0.632860 Li\n0.878979 0.125150 0.367140 Li\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.754102 0.283949 0.775613 O\n0.740856 0.716705 0.235040 O\n0.259144 0.283295 0.764960 O\n0.245898 0.716051 0.224387 O\n0.740612 0.258506 0.223757 O\n0.294229 0.258748 0.224087 O\n0.705771 0.741252 0.775913 O\n0.259388 0.741494 0.776243 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 3.988174618867115,
"density_atomic": 0.09458905275578076,
"volume": 148.00867111066822,
"volume_molar": 6.366636079492782,
"formula_full": "Li2 Ti2 Co2 O8",
"formula_reduced": "LiTiCoO4",
"formula_anonymous": "ABCD4",
"energy": -107.51700278,
"energy_per_atom": -7.679785912857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.74500278,
"band_gap": 0.7295000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9969017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.711000Z",
"spacegroup": 12
},
{
"id": "mp-569303",
"created_at": "2022-09-04T14:41:34.935427Z",
"structure_string": "Zn1 B2 C8 N8\n1.0\n3.787948 -6.560919 0.000000\n3.787948 6.560919 0.000000\n0.000000 0.000000 6.108094\nZn B C N\n1 2 8 8\ndirect\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.149109 B\n0.333333 0.666667 0.850891 B\n0.666667 0.333333 0.889658 C\n0.780573 0.219427 0.238043 C\n0.438854 0.219427 0.238043 C\n0.780573 0.561146 0.238043 C\n0.561146 0.780573 0.761957 C\n0.219427 0.438854 0.761957 C\n0.219427 0.780573 0.761957 C\n0.333333 0.666667 0.110342 C\n0.666667 0.333333 0.698911 N\n0.272642 0.136321 0.303079 N\n0.727358 0.863679 0.696921 N\n0.136321 0.863679 0.696921 N\n0.333333 0.666667 0.301089 N\n0.136321 0.272642 0.696921 N\n0.863679 0.136321 0.303079 N\n0.863679 0.727358 0.303079 N\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zn",
"B",
"C",
"N"
],
"chemical_system": "B-C-N-Zn",
"density": 1.6144225490385817,
"density_atomic": 0.06258196693161265,
"volume": 303.6018350264146,
"volume_molar": 9.622805186965088,
"formula_full": "Zn1 B2 C8 N8",
"formula_reduced": "ZnB2(CN)8",
"formula_anonymous": "AB2C8D8",
"energy": -153.63604714000004,
"energy_per_atom": -8.086107744210528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.74804714,
"band_gap": 5.5259,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009774,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.890000Z",
"spacegroup": 164
},
{
"id": "mp-1187521",
"created_at": "2022-09-04T14:41:34.938357Z",
"structure_string": "Yb1 Y1 Cd2\n1.0\n0.000000 3.769178 3.769178\n3.769178 0.000000 3.769178\n3.769178 3.769178 0.000000\nYb Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Y",
"Cd"
],
"chemical_system": "Cd-Y-Yb",
"density": 7.5474639165338155,
"density_atomic": 0.03734995242770839,
"volume": 107.09518326006126,
"volume_molar": 16.123556707752115,
"formula_full": "Yb1 Y1 Cd2",
"formula_reduced": "YbYCd2",
"formula_anonymous": "ABC2",
"energy": -11.33271114,
"energy_per_atom": -2.833177785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.33271114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0103602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.930000Z",
"spacegroup": 225
},
{
"id": "mp-14531",
"created_at": "2022-09-04T14:41:34.939773Z",
"structure_string": "Na2 Nb6 O16\n1.0\n-3.590679 3.741192 5.210584\n3.590679 -3.741192 5.210584\n3.590679 3.741192 -5.210584\nNa Nb O\n2 6 16\ndirect\n0.000000 0.750000 0.750000 Na\n0.000000 0.250000 0.250000 Na\n0.008607 0.763475 0.245133 Nb\n0.991393 0.236525 0.754867 Nb\n0.481658 0.736525 0.745133 Nb\n0.518342 0.263475 0.254867 Nb\n0.500000 0.750000 0.250000 Nb\n0.500000 0.250000 0.750000 Nb\n0.836945 0.438576 0.998169 O\n0.163055 0.161224 0.601632 O\n0.559592 0.061424 0.898368 O\n0.440408 0.338776 0.501831 O\n0.163055 0.561424 0.001831 O\n0.836945 0.838776 0.398368 O\n0.440408 0.938576 0.101632 O\n0.559592 0.661224 0.498169 O\n0.146579 0.164627 0.981953 O\n0.853421 0.835373 0.018047 O\n0.817326 0.335373 0.481953 O\n0.182674 0.664627 0.518047 O\n0.526137 0.421779 0.104358 O\n0.473863 0.578221 0.895642 O\n0.682578 0.078221 0.604358 O\n0.317422 0.921779 0.395642 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 5.0970116750859775,
"density_atomic": 0.08571923175164471,
"volume": 279.98384387689646,
"volume_molar": 7.025425493135561,
"formula_full": "Na2 Nb6 O16",
"formula_reduced": "NaNb3O8",
"formula_anonymous": "AB3C8",
"energy": -212.91427327,
"energy_per_atom": -8.871428052916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.92227327,
"band_gap": 2.2449000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020881,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.045000Z",
"spacegroup": 72
},
{
"id": "mp-772287",
"created_at": "2022-09-04T14:41:34.943438Z",
"structure_string": "Li4 Si24 Ni10 O60\n1.0\n5.075217 -8.790533 0.000000\n5.075217 8.790533 0.000000\n0.000000 0.000000 14.388042\nLi Si Ni O\n4 24 10 60\ndirect\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.250000 Li\n0.114693 0.759623 0.360816 Si\n0.114693 0.759623 0.139184 Si\n0.237508 0.882978 0.860583 Si\n0.237508 0.882978 0.639417 Si\n0.117022 0.354530 0.860583 Si\n0.117022 0.354530 0.639417 Si\n0.240377 0.355070 0.139184 Si\n0.240377 0.355070 0.360816 Si\n0.644930 0.885307 0.139184 Si\n0.644930 0.885307 0.360816 Si\n0.355070 0.240377 0.860816 Si\n0.355070 0.240377 0.639184 Si\n0.645470 0.762492 0.639417 Si\n0.645470 0.762492 0.860583 Si\n0.354530 0.117022 0.360583 Si\n0.354530 0.117022 0.139417 Si\n0.762492 0.645470 0.139417 Si\n0.762492 0.645470 0.360583 Si\n0.885307 0.644930 0.860816 Si\n0.885307 0.644930 0.639184 Si\n0.759623 0.114693 0.860816 Si\n0.759623 0.114693 0.639184 Si\n0.882978 0.237508 0.139417 Si\n0.882978 0.237508 0.360583 Si\n0.000000 0.488231 0.500000 Ni\n0.000000 0.488231 0.000000 Ni\n0.333333 0.666667 0.001318 Ni\n0.333333 0.666667 0.498682 Ni\n0.511769 0.511769 0.000000 Ni\n0.511769 0.511769 0.500000 Ni\n0.666667 0.333333 0.998682 Ni\n0.666667 0.333333 0.501318 Ni\n0.488231 0.000000 0.000000 Ni\n0.488231 0.000000 0.500000 Ni\n0.056759 0.785818 0.612712 O\n0.056759 0.785818 0.887288 O\n0.225172 0.941251 0.385135 O\n0.225172 0.941251 0.114865 O\n0.125018 0.734026 0.250000 O\n0.153219 0.652777 0.076714 O\n0.153219 0.652777 0.423286 O\n0.259409 0.855996 0.750000 O\n0.162241 0.508712 0.915779 O\n0.162241 0.508712 0.584221 O\n0.058749 0.283921 0.114865 O\n0.058749 0.283921 0.385135 O\n0.346471 0.837759 0.915779 O\n0.346471 0.837759 0.584221 O\n0.144004 0.403414 0.750000 O\n0.265974 0.390993 0.250000 O\n0.499558 0.846781 0.423286 O\n0.499558 0.846781 0.076714 O\n0.214182 0.270941 0.887288 O\n0.214182 0.270941 0.612712 O\n0.347223 0.500442 0.423286 O\n0.347223 0.500442 0.076714 O\n0.270941 0.214182 0.112712 O\n0.270941 0.214182 0.387288 O\n0.609007 0.874982 0.250000 O\n0.491288 0.653529 0.584221 O\n0.491288 0.653529 0.915779 O\n0.283921 0.058749 0.885135 O\n0.283921 0.058749 0.614865 O\n0.596586 0.740591 0.750000 O\n0.390993 0.265974 0.750000 O\n0.729059 0.943241 0.887288 O\n0.729059 0.943241 0.612712 O\n0.500442 0.347223 0.923286 O\n0.500442 0.347223 0.576714 O\n0.403414 0.144004 0.250000 O\n0.716079 0.774828 0.114865 O\n0.716079 0.774828 0.385135 O\n0.653529 0.491288 0.084221 O\n0.653529 0.491288 0.415779 O\n0.774828 0.716079 0.885135 O\n0.774828 0.716079 0.614865 O\n0.508712 0.162241 0.084221 O\n0.508712 0.162241 0.415779 O\n0.740591 0.596586 0.250000 O\n0.874982 0.609007 0.750000 O\n0.652777 0.153219 0.923286 O\n0.652777 0.153219 0.576714 O\n0.943241 0.729059 0.112712 O\n0.943241 0.729059 0.387288 O\n0.846781 0.499558 0.923286 O\n0.846781 0.499558 0.576714 O\n0.734026 0.125018 0.750000 O\n0.837759 0.346471 0.084221 O\n0.837759 0.346471 0.415779 O\n0.855996 0.259409 0.250000 O\n0.785818 0.056759 0.112712 O\n0.785818 0.056759 0.387288 O\n0.941251 0.225172 0.885135 O\n0.941251 0.225172 0.614865 O\n",
"nsites": 98,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 2.9085852940976427,
"density_atomic": 0.07633514914917425,
"volume": 1283.8122554589927,
"volume_molar": 7.889079705905237,
"formula_full": "Li4 Si24 Ni10 O60",
"formula_reduced": "Li2Si12(NiO6)5",
"formula_anonymous": "A2B5C12D30",
"energy": -752.16667134,
"energy_per_atom": -7.675170115714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -685.53667134,
"band_gap": 4.3937,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0082886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.584000Z",
"spacegroup": 190
}
]
}