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=formation_energy_per_atom&page=107",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=105",
"results": [
{
"id": "mp-1113900",
"created_at": "2022-09-04T14:41:20.920151Z",
"structure_string": "Na2 Li1 Sc1 F6\n1.0\n0.000000 4.017450 4.017450\n4.017450 0.000000 4.017450\n4.017450 4.017450 0.000000\nNa Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.250423 0.250423 0.749577 F\n0.250423 0.749577 0.749577 F\n0.749577 0.749577 0.250423 F\n0.250423 0.749577 0.250423 F\n0.749577 0.250423 0.749577 F\n0.749577 0.250423 0.250423 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Sc",
"F"
],
"chemical_system": "F-Li-Na-Sc",
"density": 2.7128807931583547,
"density_atomic": 0.0771113955931507,
"volume": 129.68251868713728,
"volume_molar": 7.80966381645271,
"formula_full": "Na2 Li1 Sc1 F6",
"formula_reduced": "Na2LiScF6",
"formula_anonymous": "ABC2D6",
"energy": -57.23474702,
"energy_per_atom": -5.723474702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.46274702,
"band_gap": 6.059800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.265000Z",
"spacegroup": 225
},
{
"id": "mp-771944",
"created_at": "2022-09-04T14:41:20.932004Z",
"structure_string": "Ba6 La4 Cl24\n1.0\n7.367293 5.165481 0.000000\n-7.367293 5.165481 0.000000\n0.000000 5.113143 15.096647\nBa La Cl\n6 4 24\ndirect\n0.869839 0.130161 0.250000 Ba\n0.786079 0.539193 0.420070 Ba\n0.539193 0.786079 0.920070 Ba\n0.460807 0.213921 0.079930 Ba\n0.213921 0.460807 0.579930 Ba\n0.130161 0.869839 0.750000 Ba\n0.950839 0.700780 0.089965 La\n0.700780 0.950839 0.589965 La\n0.299220 0.049161 0.410035 La\n0.049161 0.299220 0.910035 La\n0.387871 0.408521 0.917125 Cl\n0.059551 0.095602 0.073360 Cl\n0.591479 0.612129 0.582875 Cl\n0.502245 0.993734 0.739785 Cl\n0.794412 0.762873 0.242654 Cl\n0.156941 0.643516 0.925294 Cl\n0.904398 0.940449 0.426640 Cl\n0.643516 0.156941 0.425294 Cl\n0.993734 0.502245 0.239785 Cl\n0.705317 0.145737 0.930067 Cl\n0.237127 0.205588 0.257346 Cl\n0.854263 0.294683 0.569933 Cl\n0.145737 0.705317 0.430067 Cl\n0.762873 0.794412 0.742654 Cl\n0.294683 0.854263 0.069933 Cl\n0.006266 0.497755 0.760215 Cl\n0.356484 0.843059 0.574706 Cl\n0.095602 0.059551 0.573360 Cl\n0.843059 0.356484 0.074706 Cl\n0.205588 0.237127 0.757346 Cl\n0.497755 0.006266 0.260215 Cl\n0.408521 0.387871 0.417125 Cl\n0.940449 0.904398 0.926640 Cl\n0.612129 0.591479 0.082875 Cl\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ba",
"La",
"Cl"
],
"chemical_system": "Ba-Cl-La",
"density": 3.2233950000462253,
"density_atomic": 0.029590323317683062,
"volume": 1149.024281856418,
"volume_molar": 20.351723417639008,
"formula_full": "Ba6 La4 Cl24",
"formula_reduced": "Ba3La2Cl12",
"formula_anonymous": "A2B3C12",
"energy": -173.47425911,
"energy_per_atom": -5.102184091470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.73825911,
"band_gap": 3.8598,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.942000Z",
"spacegroup": 15
},
{
"id": "mp-1217440",
"created_at": "2022-09-04T14:41:20.974959Z",
"structure_string": "Te16 Mo9 Ru3\n1.0\n7.148481 0.000000 0.000000\n-0.901607 9.788292 0.000000\n-0.043272 -0.093229 10.346975\nTe Mo Ru\n16 9 3\ndirect\n0.783782 0.784087 0.997626 Te\n0.784964 0.293036 0.495295 Te\n0.205251 0.205745 0.998523 Te\n0.207604 0.705193 0.497639 Te\n0.619787 0.575427 0.700982 Te\n0.618296 0.076671 0.196514 Te\n0.880650 0.445800 0.171930 Te\n0.883780 0.943296 0.679245 Te\n0.264130 0.750121 0.125180 Te\n0.264121 0.251529 0.625426 Te\n0.376611 0.426701 0.312381 Te\n0.377768 0.927808 0.813187 Te\n0.120964 0.556687 0.820640 Te\n0.124636 0.056023 0.319762 Te\n0.739435 0.252154 0.872325 Te\n0.737743 0.749159 0.370926 Te\n0.759463 0.022227 0.437577 Mo\n0.583646 0.602335 0.151657 Mo\n0.584145 0.103626 0.649650 Mo\n0.544481 0.329587 0.083788 Mo\n0.544455 0.830577 0.585278 Mo\n0.248315 0.477581 0.066324 Mo\n0.248269 0.979878 0.565624 Mo\n0.414554 0.394194 0.852038 Mo\n0.416807 0.894907 0.350534 Mo\n0.452488 0.671213 0.913910 Ru\n0.453049 0.172825 0.413425 Ru\n0.760804 0.521615 0.932614 Ru\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Ru"
],
"chemical_system": "Mo-Ru-Te",
"density": 7.358442900850652,
"density_atomic": 0.03867443233526034,
"volume": 723.9925270854403,
"volume_molar": 15.571374668916551,
"formula_full": "Te16 Mo9 Ru3",
"formula_reduced": "Te16(Mo3Ru)3",
"formula_anonymous": "A3B9C16",
"energy": -190.39281959,
"energy_per_atom": -6.799743556785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.64081959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0187534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.837000Z",
"spacegroup": 1
},
{
"id": "mp-1235641",
"created_at": "2022-09-04T14:41:21.047687Z",
"structure_string": "Li1 Nd2 O6\n1.0\n4.254813 0.000000 -1.608168\n-3.191198 3.600062 4.422231\n0.154598 -2.278592 6.841700\nLi Nd O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.466116 0.786192 0.359848 Nd\n0.533884 0.213808 0.640152 Nd\n0.034629 0.765064 0.539131 O\n0.340877 0.846543 0.988669 O\n0.965371 0.234936 0.460869 O\n0.172496 0.316284 0.712424 O\n0.827504 0.683716 0.287576 O\n0.659123 0.153457 0.011331 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Nd",
"O"
],
"chemical_system": "Li-Nd-O",
"density": 4.748706780425593,
"density_atomic": 0.06575430623521039,
"volume": 136.87316489669908,
"volume_molar": 9.158549614162364,
"formula_full": "Li1 Nd2 O6",
"formula_reduced": "LiNd2O6",
"formula_anonymous": "AB2C6",
"energy": -61.09867994999999,
"energy_per_atom": -6.788742216666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.30867995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9992682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.500000Z",
"spacegroup": 12
},
{
"id": "mp-1104527",
"created_at": "2022-09-04T14:41:21.063364Z",
"structure_string": "Ta2 P2 O10\n1.0\n6.492568 0.000000 0.000000\n0.000000 6.492568 0.000000\n0.000000 0.000000 4.088105\nTa P O\n2 2 10\ndirect\n0.000000 0.500000 0.764646 Ta\n0.500000 0.000000 0.235354 Ta\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.000000 0.500000 0.207771 O\n0.500000 0.000000 0.792229 O\n0.694571 0.481038 0.712296 O\n0.305429 0.518962 0.712296 O\n0.194571 0.981038 0.287704 O\n0.805429 0.018962 0.287704 O\n0.481038 0.305429 0.287704 O\n0.518962 0.694571 0.287704 O\n0.981038 0.805429 0.712296 O\n0.018962 0.194571 0.712296 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ta",
"P",
"O"
],
"chemical_system": "O-P-Ta",
"density": 5.625820451709984,
"density_atomic": 0.08124057340495108,
"volume": 172.32768570226256,
"volume_molar": 7.412725572457603,
"formula_full": "Ta2 P2 O10",
"formula_reduced": "TaPO5",
"formula_anonymous": "ABC5",
"energy": -126.84828355999998,
"energy_per_atom": -9.060591682857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.97828356,
"band_gap": 3.9485,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069734,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.225000Z",
"spacegroup": 85
},
{
"id": "mp-1234464",
"created_at": "2022-09-04T14:41:20.944334Z",
"structure_string": "Ca1 Sc4 Si4 O14\n1.0\n6.287500 -0.097615 3.329033\n2.003801 5.960450 3.329033\n0.000000 0.000000 6.658065\nCa Sc Si O\n1 4 4 14\ndirect\n0.699415 0.699415 0.550585 Ca\n0.949062 0.490045 0.030446 Sc\n0.490045 0.949062 0.030446 Sc\n0.016352 0.016352 0.476390 Sc\n0.016352 0.016352 0.990906 Sc\n0.452356 0.081031 0.483306 Si\n0.081031 0.452356 0.483306 Si\n0.481558 0.481558 0.023805 Si\n0.481558 0.481558 0.513078 Si\n0.397994 0.813253 0.883492 O\n0.189932 0.525024 0.601261 O\n0.813253 0.397994 0.883492 O\n0.906578 0.906578 0.343422 O\n0.465721 0.465721 0.784279 O\n0.397994 0.813253 0.405262 O\n0.189932 0.525024 0.183783 O\n0.525024 0.189932 0.601261 O\n0.158065 0.158065 0.091935 O\n0.866422 0.866422 0.883578 O\n0.813253 0.397994 0.405262 O\n0.545634 0.545634 0.204366 O\n0.167446 0.167446 0.582554 O\n0.525024 0.189932 0.183783 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Si",
"O"
],
"chemical_system": "Ca-O-Sc-Si",
"density": 3.682491031013701,
"density_atomic": 0.09169843636175179,
"volume": 250.82216134269328,
"volume_molar": 6.5673320057962155,
"formula_full": "Ca1 Sc4 Si4 O14",
"formula_reduced": "CaSc4(Si2O7)2",
"formula_anonymous": "AB4C4D14",
"energy": -188.1245755,
"energy_per_atom": -8.179329369565217,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.5065755,
"band_gap": 0.1681999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.544000Z",
"spacegroup": 44
},
{
"id": "mp-1516565",
"created_at": "2022-09-04T14:41:20.963522Z",
"structure_string": "Sr1 Ca1 Ce1 Co1 O6\n1.0\n-0.000000 -4.043778 -4.043778\n4.043778 0.000000 -4.043778\n4.043778 -4.043778 0.000000\nSr Ca Ce Co O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Co\n0.730994 0.269006 0.269006 O\n0.269006 0.730994 0.730994 O\n0.730994 0.269006 0.730994 O\n0.269006 0.730994 0.269006 O\n0.730994 0.730994 0.269006 O\n0.269006 0.269006 0.730994 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ce",
"Co",
"O"
],
"chemical_system": "Ca-Ce-Co-O-Sr",
"density": 5.308040435843435,
"density_atomic": 0.0756150230388886,
"volume": 132.24885212105306,
"volume_molar": 7.964212028214061,
"formula_full": "Sr1 Ca1 Ce1 Co1 O6",
"formula_reduced": "SrCaCeCoO6",
"formula_anonymous": "ABCDE6",
"energy": -73.13299693,
"energy_per_atom": -7.313299693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.37299693,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.753000Z",
"spacegroup": 216
},
{
"id": "mp-756698",
"created_at": "2022-09-04T14:41:21.003751Z",
"structure_string": "Gd1 Bi4 O8\n1.0\n1.880221 6.742400 0.000000\n-1.880221 6.742400 0.000000\n0.000000 5.032565 8.498495\nGd Bi O\n1 4 8\ndirect\n0.020793 0.020793 0.987111 Gd\n0.796203 0.796203 0.799131 Bi\n0.573377 0.573377 0.618839 Bi\n0.406635 0.406635 0.360768 Bi\n0.190542 0.190542 0.231824 Bi\n0.624136 0.624136 0.814269 O\n0.213625 0.213625 0.958505 O\n0.372605 0.372605 0.639927 O\n0.960369 0.960369 0.802720 O\n0.000432 0.000432 0.243736 O\n0.596869 0.596869 0.347808 O\n0.193410 0.193410 0.472921 O\n0.405728 0.405728 0.123126 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Gd",
"Bi",
"O"
],
"chemical_system": "Bi-Gd-O",
"density": 8.640201972426237,
"density_atomic": 0.06033202752524449,
"volume": 215.4742768185681,
"volume_molar": 9.981664808927862,
"formula_full": "Gd1 Bi4 O8",
"formula_reduced": "Gd(BiO2)4",
"formula_anonymous": "AB4C8",
"energy": -95.03632729,
"energy_per_atom": -7.310486714615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.54032729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9156452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.605000Z",
"spacegroup": 8
},
{
"id": "mp-1075510",
"created_at": "2022-09-04T14:41:21.005886Z",
"structure_string": "Mg10 Si12\n1.0\n5.247895 0.000000 0.000000\n1.218918 6.237220 0.000000\n1.797911 0.402483 13.244590\nMg Si\n10 12\ndirect\n0.865551 0.305872 0.007339 Mg\n0.998818 0.337355 0.390637 Mg\n0.656811 0.744429 0.277281 Mg\n0.219850 0.238228 0.696538 Mg\n0.685047 0.458075 0.797058 Mg\n0.958292 0.793207 0.044515 Mg\n0.489273 0.089421 0.473762 Mg\n0.419233 0.721046 0.636034 Mg\n0.468030 0.001055 0.915858 Mg\n0.316750 0.146641 0.147279 Mg\n0.482464 0.682955 0.067097 Si\n0.343603 0.424957 0.968910 Si\n0.011323 0.981982 0.558174 Si\n0.855315 0.732353 0.465650 Si\n0.807955 0.109187 0.198459 Si\n0.001363 0.976891 0.851246 Si\n0.713484 0.310762 0.607343 Si\n0.226621 0.600046 0.221203 Si\n0.528531 0.355125 0.313350 Si\n0.135439 0.596161 0.824107 Si\n0.729225 0.977618 0.717510 Si\n0.083390 0.913007 0.324282 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2218732285433664,
"density_atomic": 0.050746718263008896,
"volume": 433.5255707763982,
"volume_molar": 11.867054592158237,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -78.61745674,
"energy_per_atom": -3.5735207609090907,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.46945674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.879000Z",
"spacegroup": 1
},
{
"id": "mp-782642",
"created_at": "2022-09-04T14:41:21.041866Z",
"structure_string": "Li3 Mn6 B6 O18\n1.0\n5.295498 0.000000 0.000000\n-2.325402 5.291245 0.000000\n-0.232871 -2.017141 13.270289\nLi Mn B O\n3 6 6 18\ndirect\n0.090306 0.981314 0.310835 Li\n0.583680 0.355335 0.018689 Li\n0.919026 0.020965 0.685939 Li\n0.560653 0.941098 0.198018 Mn\n0.101359 0.379912 0.130820 Mn\n0.756928 0.704744 0.455848 Mn\n0.229818 0.289744 0.536422 Mn\n0.902689 0.626145 0.870820 Mn\n0.434541 0.053967 0.796669 Mn\n0.342409 0.839667 0.581302 B\n0.990312 0.829546 0.092258 B\n0.674406 0.496160 0.239319 B\n0.327034 0.500936 0.758414 B\n0.001990 0.165469 0.913435 B\n0.660677 0.165276 0.416393 B\n0.113133 0.896239 0.568195 O\n0.188313 0.736082 0.112618 O\n0.992348 0.030099 0.167631 O\n0.532402 0.948141 0.663445 O\n0.797406 0.723309 0.014877 O\n0.393685 0.674648 0.506826 O\n0.454543 0.558336 0.223719 O\n0.315891 0.705191 0.825742 O\n0.866786 0.615062 0.320067 O\n0.138068 0.382013 0.679505 O\n0.712172 0.325212 0.161817 O\n0.528590 0.414244 0.783604 O\n0.653392 0.360038 0.489062 O\n0.193519 0.256793 0.994617 O\n0.470962 0.068501 0.336914 O\n0.039420 0.008157 0.830703 O\n0.777266 0.230600 0.907055 O\n0.867372 0.071452 0.431326 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.14086051347943,
"density_atomic": 0.08875010579182815,
"volume": 371.83054268582674,
"volume_molar": 6.785502627034052,
"formula_full": "Li3 Mn6 B6 O18",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -269.84136892000004,
"energy_per_atom": -8.17701117939394,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.46736892,
"band_gap": 0.2469000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 27.0033377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.278000Z",
"spacegroup": 1
},
{
"id": "mp-1238815",
"created_at": "2022-09-04T14:41:27.126410Z",
"structure_string": "B12 C3\n1.0\n-1.250786 -4.496449 -1.942476\n-4.731643 -0.121503 -2.172535\n-0.019818 -0.121494 -5.206508\nB C\n12 3\ndirect\n0.837328 0.508148 0.508283 B\n0.484453 0.175438 0.497739 B\n0.505442 0.830523 0.505550 B\n0.484454 0.497609 0.175569 B\n0.505445 0.505421 0.830653 B\n0.181151 0.693183 0.693316 B\n0.811365 0.310527 0.310658 B\n0.694703 0.187724 0.697119 B\n0.299012 0.817129 0.303893 B\n0.694704 0.696988 0.187856 B\n0.299014 0.303762 0.817261 B\n0.988269 0.000762 0.000887 B\n0.174670 0.496750 0.496879 C\n0.882336 0.875681 0.875819 C\n0.103737 0.121708 0.121839 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.5251883579068433,
"density_atomic": 0.13760856309131622,
"volume": 109.0048443427615,
"volume_molar": 4.376283441026663,
"formula_full": "B12 C3",
"formula_reduced": "B4C",
"formula_anonymous": "AB4",
"energy": -109.34387107,
"energy_per_atom": -7.289591404666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.34387107,
"band_gap": 3.0415,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.896000Z",
"spacegroup": 8
},
{
"id": "mp-766405",
"created_at": "2022-09-04T14:41:17.235412Z",
"structure_string": "Li8 V4 Si4 O16\n1.0\n4.909406 0.000000 0.000000\n0.000000 6.717766 0.000000\n0.000000 0.000000 10.599052\nLi V Si O\n8 4 4 16\ndirect\n0.183336 0.001102 0.590050 Li\n0.316664 0.001102 0.090050 Li\n0.316664 0.498898 0.090050 Li\n0.183336 0.498898 0.590050 Li\n0.683336 0.501102 0.909950 Li\n0.816664 0.501102 0.409950 Li\n0.683336 0.998898 0.909950 Li\n0.816664 0.998898 0.409950 Li\n0.194388 0.250000 0.846987 V\n0.305612 0.250000 0.346987 V\n0.694388 0.750000 0.653013 V\n0.805612 0.750000 0.153013 V\n0.668639 0.250000 0.664233 Si\n0.831361 0.250000 0.164233 Si\n0.331361 0.750000 0.335767 Si\n0.168639 0.750000 0.835767 Si\n0.778473 0.045739 0.594559 O\n0.721527 0.045739 0.094559 O\n0.331577 0.250000 0.657888 O\n0.744502 0.250000 0.316166 O\n0.755498 0.250000 0.816166 O\n0.168423 0.250000 0.157888 O\n0.721527 0.454261 0.094559 O\n0.778473 0.454261 0.594559 O\n0.278473 0.545739 0.905441 O\n0.221527 0.545739 0.405441 O\n0.668423 0.750000 0.342112 O\n0.831577 0.750000 0.842112 O\n0.255498 0.750000 0.683834 O\n0.244502 0.750000 0.183834 O\n0.221527 0.954261 0.405441 O\n0.278473 0.954261 0.905441 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.9814632238258,
"density_atomic": 0.0915438418057476,
"volume": 349.55928622596736,
"volume_molar": 6.578422580055952,
"formula_full": "Li8 V4 Si4 O16",
"formula_reduced": "Li2VSiO4",
"formula_anonymous": "ABC2D4",
"energy": -236.21635724,
"energy_per_atom": -7.38176116375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.42435724,
"band_gap": 1.6609999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9989176,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.374000Z",
"spacegroup": 62
}
]
}