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=formula_anonymous&page=12148",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12146",
"results": [
{
"id": "mp-1517640",
"created_at": "2022-09-04T14:40:04.848483Z",
"structure_string": "K1 La1 Eu1 Sb1 O6\n1.0\n0.000000 -4.226292 -4.226292\n4.226292 -0.000000 -4.226292\n4.226292 -4.226292 0.000000\nK La Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Sb\n0.735131 0.264869 0.264869 O\n0.264869 0.735131 0.735131 O\n0.735131 0.264869 0.735131 O\n0.264869 0.735131 0.264869 O\n0.735131 0.735131 0.264869 O\n0.264869 0.264869 0.735131 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-K-La-O-Sb",
"density": 6.024243372637332,
"density_atomic": 0.06623560463847403,
"volume": 150.97620161515576,
"volume_molar": 9.091999375366074,
"formula_full": "K1 La1 Eu1 Sb1 O6",
"formula_reduced": "KLaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -76.44202598,
"energy_per_atom": -7.644202598,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.32002598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.837000Z",
"spacegroup": 216
},
{
"id": "mp-1521604",
"created_at": "2022-09-04T14:40:00.899268Z",
"structure_string": "Sr4 Pr4 Eu4 Sb4 O24\n1.0\n8.528504 0.000000 0.000000\n0.000000 8.523015 0.000000\n0.000000 0.000000 8.529181\nSr Pr Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n-0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.020563 0.203295 0.287529 O\n0.979437 0.796705 0.287529 O\n0.979437 0.203295 0.712471 O\n0.020563 0.796705 0.712471 O\n0.286665 0.020193 0.204886 O\n0.286665 0.979807 0.795114 O\n0.713335 0.979807 0.204886 O\n0.713335 0.020193 0.795114 O\n0.204773 0.286284 0.020241 O\n0.795227 0.286284 0.979759 O\n0.204773 0.713716 0.979759 O\n0.795227 0.713716 0.020241 O\n0.479437 0.296705 0.212471 O\n0.520563 0.703295 0.212471 O\n0.520563 0.296705 0.787529 O\n0.479437 0.703295 0.787529 O\n0.213335 0.479807 0.295114 O\n0.213335 0.520193 0.704886 O\n0.786665 0.520193 0.295114 O\n0.786665 0.479807 0.704886 O\n0.295227 0.213716 0.479759 O\n0.704773 0.213716 0.520241 O\n0.295227 0.786284 0.520241 O\n0.704773 0.786284 0.479759 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-O-Pr-Sb-Sr",
"density": 6.409393556852053,
"density_atomic": 0.06451883996770047,
"volume": 619.9739490050482,
"volume_molar": 9.333925971103655,
"formula_full": "Sr4 Pr4 Eu4 Sb4 O24",
"formula_reduced": "SrPrEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -320.29607809,
"energy_per_atom": -8.00740195225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -303.80807809,
"band_gap": 0.0053999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9991711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.839000Z",
"spacegroup": 48
},
{
"id": "mp-1518471",
"created_at": "2022-09-04T14:40:03.808546Z",
"structure_string": "Sr1 Eu1 In1 Bi1 O6\n1.0\n-0.000000 -4.237002 -4.237002\n4.237002 0.000000 -4.237002\n4.237002 -4.237002 -0.000000\nSr Eu In Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 In\n-0.000000 0.000000 0.000000 Bi\n0.750696 0.249304 0.249304 O\n0.249304 0.750696 0.750696 O\n0.750696 0.249304 0.750696 O\n0.249304 0.750696 0.249304 O\n0.750696 0.750696 0.249304 O\n0.249304 0.249304 0.750696 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"In",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-In-O-Sr",
"density": 7.1974403556836934,
"density_atomic": 0.06573459587813625,
"volume": 152.12689553212974,
"volume_molar": 9.161295782763004,
"formula_full": "Sr1 Eu1 In1 Bi1 O6",
"formula_reduced": "SrEuInBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.63566,
"energy_per_atom": -7.063566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.51366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8245655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.659000Z",
"spacegroup": 216
},
{
"id": "mp-1173178",
"created_at": "2022-09-04T14:40:29.001191Z",
"structure_string": "Sr2 La2 Cu2 Ru2 O12\n1.0\n0.000000 -5.812422 0.000000\n-5.703432 0.000000 -0.009193\n-0.013200 0.000000 -7.708990\nSr La Cu Ru O\n2 2 2 2 12\ndirect\n0.466508 0.503006 0.751633 Sr\n0.033492 0.003006 0.251633 Sr\n0.945713 0.988357 0.753075 La\n0.554287 0.488357 0.253075 La\n0.485300 0.996049 0.002762 Cu\n0.014700 0.496049 0.502762 Cu\n0.490737 0.000064 0.500344 Ru\n0.009263 0.500064 0.000344 Ru\n0.018193 0.407620 0.750913 O\n0.526726 0.067787 0.750323 O\n0.973274 0.567787 0.250323 O\n0.481807 0.907620 0.250913 O\n0.197333 0.783759 0.955093 O\n0.704504 0.731269 0.536564 O\n0.761460 0.208524 0.456527 O\n0.289777 0.313564 0.042767 O\n0.795496 0.231269 0.036564 O\n0.302667 0.283759 0.455093 O\n0.210223 0.813564 0.542767 O\n0.738540 0.708524 0.956527 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Cu",
"Ru",
"O"
],
"chemical_system": "Cu-La-O-Ru-Sr",
"density": 6.330547859025839,
"density_atomic": 0.07826008334795422,
"volume": 255.55812292043535,
"volume_molar": 7.69503494294122,
"formula_full": "Sr2 La2 Cu2 Ru2 O12",
"formula_reduced": "SrLaCuRuO6",
"formula_anonymous": "ABCDE6",
"energy": -146.06497789,
"energy_per_atom": -7.303248894499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.82097789,
"band_gap": 0.0137,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0019627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.514000Z",
"spacegroup": 7
},
{
"id": "mp-1519238",
"created_at": "2022-09-04T14:40:30.999040Z",
"structure_string": "Sr1 Eu1 Zr1 V1 O6\n1.0\n-0.000000 -4.052755 -4.052755\n4.052755 0.000000 -4.052755\n4.052755 -4.052755 -0.000000\nSr Eu Zr V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.742277 0.257723 0.257723 O\n0.257723 0.742277 0.742277 O\n0.742277 0.257723 0.742277 O\n0.257723 0.742277 0.257723 O\n0.742277 0.742277 0.257723 O\n0.257723 0.257723 0.742277 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Zr",
"V",
"O"
],
"chemical_system": "Eu-O-Sr-V-Zr",
"density": 5.9588852136359165,
"density_atomic": 0.0751136651127709,
"volume": 133.13156780442858,
"volume_molar": 8.01737040917753,
"formula_full": "Sr1 Eu1 Zr1 V1 O6",
"formula_reduced": "SrEuZrVO6",
"formula_anonymous": "ABCDE6",
"energy": -91.53363822,
"energy_per_atom": -9.153363822,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.71163822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.233000Z",
"spacegroup": 216
},
{
"id": "mp-1521083",
"created_at": "2022-09-04T14:40:27.820275Z",
"structure_string": "K4 Sr4 Ce4 W4 O24\n1.0\n8.420866 0.000000 0.000000\n0.000000 8.470472 0.000000\n0.000000 0.000000 8.480115\nK Sr Ce W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.019884 0.225207 0.267209 O\n0.980116 0.774793 0.267209 O\n0.980116 0.225207 0.732791 O\n0.019884 0.774793 0.732791 O\n0.269236 0.010027 0.230749 O\n0.269236 0.989973 0.769251 O\n0.730764 0.989973 0.230749 O\n0.730764 0.010027 0.769251 O\n0.210371 0.267925 0.011225 O\n0.789629 0.267925 0.988775 O\n0.210371 0.732075 0.988775 O\n0.789629 0.732075 0.011225 O\n0.480116 0.274793 0.232791 O\n0.519884 0.725207 0.232791 O\n0.519884 0.274793 0.767209 O\n0.480116 0.725207 0.767209 O\n0.230764 0.489973 0.269251 O\n0.230764 0.510027 0.730749 O\n0.769236 0.510027 0.269251 O\n0.769236 0.489973 0.730749 O\n0.289629 0.232075 0.488775 O\n0.710371 0.232075 0.511225 O\n0.289629 0.767925 0.511225 O\n0.710371 0.767925 0.488775 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Ce",
"W",
"O"
],
"chemical_system": "Ce-K-O-Sr-W",
"density": 6.003005991188535,
"density_atomic": 0.06612929332878764,
"volume": 604.8756607926288,
"volume_molar": 9.10661592897806,
"formula_full": "K4 Sr4 Ce4 W4 O24",
"formula_reduced": "KSrCeWO6",
"formula_anonymous": "ABCDE6",
"energy": -322.26596052,
"energy_per_atom": -8.056649013000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -288.02596052,
"band_gap": 0.6406000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.339000Z",
"spacegroup": 48
},
{
"id": "mp-1522146",
"created_at": "2022-09-04T14:40:29.087369Z",
"structure_string": "Ba4 Na4 Ce4 Nb4 O24\n1.0\n8.509277 0.000000 0.000000\n0.000000 8.522243 0.000000\n0.000000 0.000000 8.475417\nBa Na Ce Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 -0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.250000 0.750000 Nb\n0.250000 0.750000 0.750000 Nb\n0.013199 0.231411 0.260711 O\n0.986801 0.768589 0.260711 O\n0.986801 0.231411 0.739289 O\n0.013199 0.768589 0.739289 O\n0.267611 0.013559 0.232163 O\n0.267611 0.986441 0.767837 O\n0.732389 0.986441 0.232163 O\n0.732389 0.013559 0.767837 O\n0.228377 0.265011 0.013017 O\n0.771623 0.265011 0.986983 O\n0.228377 0.734989 0.986983 O\n0.771623 0.734989 0.013017 O\n0.486801 0.268589 0.239289 O\n0.513199 0.731411 0.239289 O\n0.513199 0.268589 0.760711 O\n0.486801 0.731411 0.760711 O\n0.232389 0.486441 0.267837 O\n0.232389 0.513559 0.732163 O\n0.767611 0.513559 0.267837 O\n0.767611 0.486441 0.732163 O\n0.271623 0.234989 0.486983 O\n0.728377 0.234989 0.513017 O\n0.271623 0.765011 0.513017 O\n0.728377 0.765011 0.486983 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ba-Ce-Na-Nb-O",
"density": 5.288204074897898,
"density_atomic": 0.0650807188737958,
"volume": 614.621360860623,
"volume_molar": 9.253340873013567,
"formula_full": "Ba4 Na4 Ce4 Nb4 O24",
"formula_reduced": "BaNaCeNbO6",
"formula_anonymous": "ABCDE6",
"energy": -323.4538076299999,
"energy_per_atom": -8.086345190749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.96580763,
"band_gap": 2.0165999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.721000Z",
"spacegroup": 48
},
{
"id": "mp-1218109",
"created_at": "2022-09-04T14:40:29.524040Z",
"structure_string": "Sr1 Pr1 Fe1 Co1 O6\n1.0\n5.417853 0.000000 0.000000\n-0.001294 5.421574 0.000000\n-2.694606 -2.709857 3.927262\nSr Pr Fe Co O\n1 1 1 1 6\ndirect\n0.750047 0.749968 0.499909 Sr\n0.249779 0.252768 0.499927 Pr\n0.500270 0.000389 0.000049 Fe\n0.000571 0.500279 0.000212 Co\n0.277379 0.701977 0.991432 O\n0.209018 0.221153 0.006549 O\n0.705671 0.283920 0.977955 O\n0.806977 0.794524 0.024110 O\n0.247213 0.734528 0.493708 O\n0.753077 0.260494 0.506150 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Pr",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O-Pr-Sr",
"density": 6.3236822201410146,
"density_atomic": 0.08668770737640745,
"volume": 115.35660940459427,
"volume_molar": 6.946937394308065,
"formula_full": "Sr1 Pr1 Fe1 Co1 O6",
"formula_reduced": "SrPrFeCoO6",
"formula_anonymous": "ABCDE6",
"energy": -75.63894379,
"energy_per_atom": -7.563894379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.62294379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9992776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.150000Z",
"spacegroup": 1
},
{
"id": "mp-1521862",
"created_at": "2022-09-04T14:40:28.590669Z",
"structure_string": "Na1 Dy1 Sn1 W1 O6\n1.0\n0.000000 -4.167346 -4.167346\n4.167346 -0.000000 -4.167346\n4.167346 -4.167346 -0.000000\nNa Dy Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 -0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.733695 0.266305 0.266305 O\n0.266305 0.733695 0.733695 O\n0.733695 0.266305 0.733695 O\n0.266305 0.733695 0.266305 O\n0.733695 0.733695 0.266305 O\n0.266305 0.266305 0.733695 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Dy",
"Sn",
"W",
"O"
],
"chemical_system": "Dy-Na-O-Sn-W",
"density": 6.7000827399386,
"density_atomic": 0.0690862030467094,
"volume": 144.7467013527863,
"volume_molar": 8.716850100921615,
"formula_full": "Na1 Dy1 Sn1 W1 O6",
"formula_reduced": "NaDySnWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.01095497,
"energy_per_atom": -7.701095497,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.45095497,
"band_gap": 2.5611,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.184000Z",
"spacegroup": 216
},
{
"id": "mp-676932",
"created_at": "2022-09-04T14:40:30.513566Z",
"structure_string": "Sr2 Li2 Eu2 Te2 O12\n1.0\n5.808376 0.000000 0.000000\n0.000000 5.657582 0.000000\n0.000000 5.595457 7.861589\nSr Li Eu Te O\n2 2 2 2 12\ndirect\n0.292185 0.742453 0.249874 Sr\n0.707815 0.742453 0.749874 Sr\n0.254954 0.501103 0.999162 Li\n0.745046 0.501103 0.499162 Li\n0.807013 0.261436 0.247879 Eu\n0.192987 0.261436 0.747879 Eu\n0.747741 0.999968 0.000172 Te\n0.252259 0.999968 0.500172 Te\n0.780403 0.171366 0.758585 O\n0.018858 0.761723 0.041669 O\n0.051675 0.308214 0.464593 O\n0.566679 0.670011 0.047225 O\n0.533230 0.226536 0.451429 O\n0.271973 0.857191 0.739412 O\n0.219597 0.171366 0.258585 O\n0.981142 0.761723 0.541669 O\n0.948325 0.308214 0.964593 O\n0.433321 0.670011 0.547225 O\n0.466770 0.226536 0.951429 O\n0.728027 0.857191 0.239412 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Eu",
"Te",
"O"
],
"chemical_system": "Eu-Li-O-Sr-Te",
"density": 6.043565022371223,
"density_atomic": 0.07741659764798936,
"volume": 258.3425338703119,
"volume_molar": 7.778875516310428,
"formula_full": "Sr2 Li2 Eu2 Te2 O12",
"formula_reduced": "SrLiEuTeO6",
"formula_anonymous": "ABCDE6",
"energy": -144.03941163,
"energy_per_atom": -7.2019705814999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.79541163,
"band_gap": 2.8365,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.337000Z",
"spacegroup": 7
},
{
"id": "mp-1521207",
"created_at": "2022-09-04T14:40:29.053305Z",
"structure_string": "Na1 Sr1 Sn1 W1 O6\n1.0\n-0.000000 -4.048308 -4.048308\n4.048308 -0.000000 -4.048308\n4.048308 -4.048308 0.000000\nNa Sr Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 -0.000000 Sn\n0.500000 0.500000 0.500000 W\n0.746375 0.253625 0.253625 O\n0.253625 0.746375 0.746375 O\n0.746375 0.253625 0.746375 O\n0.253625 0.746375 0.253625 O\n0.746375 0.746375 0.253625 O\n0.253625 0.253625 0.746375 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Sn",
"W",
"O"
],
"chemical_system": "Na-O-Sn-Sr-W",
"density": 6.371614207373287,
"density_atomic": 0.07536147051451451,
"volume": 132.69380137790722,
"volume_molar": 7.991007498772393,
"formula_full": "Na1 Sr1 Sn1 W1 O6",
"formula_reduced": "NaSrSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -72.50580628,
"energy_per_atom": -7.250580628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.94580628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.083000Z",
"spacegroup": 216
},
{
"id": "mp-1516752",
"created_at": "2022-09-04T14:40:28.057235Z",
"structure_string": "Na1 Sr1 Nd1 W1 O6\n1.0\n0.000000 -4.072725 -4.072725\n4.072725 0.000000 -4.072725\n4.072725 -4.072725 0.000000\nNa Sr Nd W O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 W\n0.737158 0.262842 0.262842 O\n0.262842 0.737158 0.737158 O\n0.737158 0.262842 0.737158 O\n0.262842 0.737158 0.262842 O\n0.737158 0.737158 0.262842 O\n0.262842 0.262842 0.737158 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nd",
"W",
"O"
],
"chemical_system": "Na-Nd-O-Sr-W",
"density": 6.571498561600052,
"density_atomic": 0.07401414811376755,
"volume": 135.10930348923216,
"volume_molar": 8.136472435977153,
"formula_full": "Na1 Sr1 Nd1 W1 O6",
"formula_reduced": "NaSrNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.50751775,
"energy_per_atom": -7.750751775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.94751775,
"band_gap": 3.1607000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.061000Z",
"spacegroup": 216
}
]
}