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{
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"results": [
{
"id": "mp-768415",
"created_at": "2022-09-04T14:40:33.005767Z",
"structure_string": "Na8 Li6 Fe4 O16\n1.0\n8.073953 0.000000 0.000000\n0.000000 6.444843 0.000000\n0.000000 6.110888 8.296763\nNa Li Fe O\n8 6 4 16\ndirect\n0.743693 0.251908 0.007428 Na\n0.745066 0.731062 0.009391 Na\n0.457616 0.746777 0.237088 Na\n0.029526 0.282948 0.250311 Na\n0.256307 0.251908 0.507428 Na\n0.254934 0.731062 0.509391 Na\n0.542384 0.746777 0.737088 Na\n0.970474 0.282948 0.750311 Na\n0.398806 0.425751 0.075044 Li\n0.765689 0.898889 0.355028 Li\n0.952755 0.562189 0.415058 Li\n0.601194 0.425751 0.575044 Li\n0.234311 0.898889 0.855028 Li\n0.047245 0.562189 0.915058 Li\n0.036912 0.875730 0.127279 Fe\n0.530938 0.141438 0.363904 Fe\n0.963088 0.875730 0.627279 Fe\n0.469062 0.141438 0.863904 Fe\n0.035150 0.207090 0.032571 O\n0.052874 0.745026 0.014565 O\n0.706162 0.262885 0.228244 O\n0.831036 0.799846 0.212525 O\n0.317395 0.196983 0.301157 O\n0.168701 0.684837 0.294119 O\n0.537025 0.288638 0.464449 O\n0.548935 0.793139 0.459520 O\n0.947126 0.745026 0.514565 O\n0.964850 0.207090 0.532571 O\n0.293838 0.262885 0.728244 O\n0.168964 0.799846 0.712525 O\n0.682605 0.196983 0.801157 O\n0.831299 0.684837 0.794119 O\n0.462975 0.288638 0.964449 O\n0.451065 0.793139 0.959520 O\n",
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],
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"volume": 431.7250451787271,
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"formula_full": "Na8 Li6 Fe4 O16",
"formula_reduced": "Na4Li3(FeO4)2",
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"updated_at": "2021-11-28T01:35:00.330000Z",
"spacegroup": 7
},
{
"id": "mp-1080474",
"created_at": "2022-09-04T14:40:33.661254Z",
"structure_string": "Fe2 N2 Cl6\n1.0\n3.421941 -5.926976 0.000000\n3.421941 5.926976 0.000000\n0.000000 0.000000 5.564048\nFe N Cl\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n0.851299 0.148701 0.750000 Cl\n0.851299 0.702598 0.750000 Cl\n0.297402 0.148701 0.750000 Cl\n0.148701 0.851299 0.250000 Cl\n0.148701 0.297402 0.250000 Cl\n0.702598 0.851299 0.250000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"N",
"Cl"
],
"chemical_system": "Cl-Fe-N",
"density": 2.5928943418943895,
"density_atomic": 0.044307112757885056,
"volume": 225.69739659283854,
"volume_molar": 13.591814914476181,
"formula_full": "Fe2 N2 Cl6",
"formula_reduced": "FeNCl3",
"formula_anonymous": "ABC3",
"energy": -43.07550664,
"energy_per_atom": -4.307550664,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"total_magnetization": 8.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.147000Z",
"spacegroup": 194
},
{
"id": "mp-1026016",
"created_at": "2022-09-04T14:40:27.199592Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n1.674068 -2.899571 0.000000\n1.674068 2.899571 0.000000\n0.000000 0.000000 31.939331\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.000000 0.000000 0.405379 Te\n0.000000 0.000000 0.286622 Te\n0.000000 0.000000 0.115190 Mo\n0.333333 0.666667 0.346038 Mo\n0.000000 0.000000 0.579705 W\n0.333333 0.666667 0.527335 Se\n0.333333 0.666667 0.632090 Se\n0.333333 0.666667 0.067760 S\n0.333333 0.666667 0.162721 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.567938003390883,
"density_atomic": 0.029025509788142292,
"volume": 310.0720733482774,
"volume_molar": 20.747751904981904,
"formula_full": "Te2 Mo2 W1 Se2 S2",
"formula_reduced": "Te2Mo2W(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy": -63.62047716,
"energy_per_atom": -7.068941906666667,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.027000Z",
"spacegroup": 156
},
{
"id": "mp-1400076",
"created_at": "2022-09-04T14:40:27.191342Z",
"structure_string": "Sr3 Co2 Cu2 S2 O5\n1.0\n-1.964303 1.964303 13.599517\n1.964303 -1.964303 13.599517\n1.964303 1.964303 -13.599517\nSr Co Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.636921 0.636921 0.000000 Sr\n0.363079 0.363079 0.000000 Sr\n0.070508 0.070508 0.000000 Co\n0.929492 0.929492 0.000000 Co\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.199530 0.199530 0.000000 S\n0.800470 0.800470 0.000000 S\n0.581180 0.081180 0.500000 O\n0.081180 0.581180 0.500000 O\n0.418820 0.918820 0.500000 O\n0.918820 0.418820 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
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"Co",
"Cu",
"S",
"O"
],
"chemical_system": "Co-Cu-O-S-Sr",
"density": 5.157745166517696,
"density_atomic": 0.06670027127701349,
"volume": 209.89419880852472,
"volume_molar": 9.02866007094543,
"formula_full": "Sr3 Co2 Cu2 S2 O5",
"formula_reduced": "Sr3Co2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy": -85.38730192,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.090000Z",
"spacegroup": 139
},
{
"id": "mp-1094555",
"created_at": "2022-09-04T14:40:27.860552Z",
"structure_string": "Mg5 Sb1\n1.0\n1.628189 -8.117159 0.000000\n1.628189 8.117159 0.000000\n0.000000 0.000000 5.319515\nMg Sb\n5 1\ndirect\n0.000655 0.999345 0.500000 Mg\n0.333261 0.666739 0.500000 Mg\n0.665737 0.334263 0.500000 Mg\n0.109857 0.890143 0.000000 Mg\n0.446747 0.553253 0.000000 Mg\n0.777076 0.222924 0.000000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 2.8731184261247504,
"density_atomic": 0.04267173953573518,
"volume": 140.60828232641742,
"volume_molar": 14.112714469858433,
"formula_full": "Mg5 Sb1",
"formula_reduced": "Mg5Sb",
"formula_anonymous": "AB5",
"energy": -12.80274507,
"energy_per_atom": -2.133790845,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0166453,
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"updated_at": "2021-11-28T01:34:49.963000Z",
"spacegroup": 38
},
{
"id": "mp-1176563",
"created_at": "2022-09-04T14:40:33.018360Z",
"structure_string": "Li2 V6 O2 F22\n1.0\n5.304437 0.000000 0.000000\n0.015695 5.474117 0.000000\n0.021783 2.547291 15.448248\nLi V O F\n2 6 2 22\ndirect\n0.223025 0.469286 0.489448 Li\n0.334415 0.866876 0.830676 Li\n0.998646 0.003382 0.995760 V\n0.992614 0.327718 0.325366 V\n0.506375 0.167203 0.664986 V\n0.498836 0.496023 0.007104 V\n0.474091 0.799777 0.330993 V\n0.996559 0.664606 0.668876 V\n0.088120 0.022992 0.893204 O\n0.285055 0.545313 0.352921 O\n0.206355 0.031208 0.352680 F\n0.298016 0.201840 0.025414 F\n0.710097 0.133299 0.312426 F\n0.412188 0.218135 0.546536 F\n0.090571 0.380315 0.217430 F\n0.570950 0.110822 0.784157 F\n0.938421 0.308180 0.441626 F\n0.587164 0.462559 0.116755 F\n0.193563 0.362258 0.686497 F\n0.207648 0.687864 0.027522 F\n0.788327 0.308047 0.978445 F\n0.706015 0.488212 0.642045 F\n0.780057 0.628507 0.307968 F\n0.413768 0.547051 0.891515 F\n0.096545 0.705004 0.555251 F\n0.430346 0.895805 0.219656 F\n0.917441 0.630602 0.779822 F\n0.922755 0.952954 0.112531 F\n0.577816 0.796974 0.440344 F\n0.293656 0.848451 0.696499 F\n0.693222 0.799351 0.979086 F\n0.810224 0.972703 0.642030 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.8485386050647956,
"density_atomic": 0.0713374160192906,
"volume": 448.5724572831005,
"volume_molar": 8.441770246305994,
"formula_full": "Li2 V6 O2 F22",
"formula_reduced": "LiV3OF11",
"formula_anonymous": "ABC3D11",
"energy": -204.45866014,
"energy_per_atom": -6.389333129375,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:06.831000Z",
"spacegroup": 1
},
{
"id": "mp-1174028",
"created_at": "2022-09-04T14:40:33.022828Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n2.910669 0.000000 0.000000\n0.000000 5.077038 0.000000\n0.000000 1.883513 9.558420\nLi Mn Co O\n5 1 2 8\ndirect\n0.000000 0.238584 0.269016 Li\n0.500000 0.258539 0.737972 Li\n0.000000 0.761416 0.730984 Li\n0.500000 0.741461 0.262028 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.358174 0.890408 O\n0.500000 0.385558 0.387063 O\n0.000000 0.829040 0.389338 O\n0.500000 0.898214 0.884857 O\n0.000000 0.170960 0.610662 O\n0.500000 0.101786 0.115143 O\n0.000000 0.641826 0.109592 O\n0.500000 0.614442 0.612937 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Co",
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],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9441940873052785,
"density_atomic": 0.11327410477876931,
"volume": 141.2502886802672,
"volume_molar": 5.316432005145024,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy": -101.2365139,
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"updated_at": "2021-11-28T01:35:00.496000Z",
"spacegroup": 10
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{
"id": "mp-1516683",
"created_at": "2022-09-04T14:40:27.838175Z",
"structure_string": "Na1 Sr1 Ce1 Mn1 O6\n1.0\n0.000000 -4.111854 -4.111854\n4.111854 -0.000000 -4.111854\n4.111854 -4.111854 -0.000000\nNa Sr Ce Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Mn\n0.732629 0.267371 0.267371 O\n0.267371 0.732629 0.732629 O\n0.732629 0.267371 0.732629 O\n0.267371 0.732629 0.267371 O\n0.732629 0.732629 0.267371 O\n0.267371 0.267371 0.732629 O\n",
"nsites": 10,
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],
"chemical_system": "Ce-Mn-Na-O-Sr",
"density": 4.796946338777515,
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"volume": 139.04105449735815,
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"formula_full": "Na1 Sr1 Ce1 Mn1 O6",
"formula_reduced": "NaSrCeMnO6",
"formula_anonymous": "ABCDE6",
"energy": -73.60026108000001,
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"spacegroup": 216
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{
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{
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{
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]
}