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&page=12161",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12159",
"results": [
{
"id": "mp-754821",
"created_at": "2022-09-04T14:42:27.760550Z",
"structure_string": "Mn6 O7 F5\n1.0\n-5.148385 5.148385 3.146086\n-0.302430 4.744020 -2.976813\n-4.744020 0.302430 -2.976813\nMn O F\n6 7 5\ndirect\n0.834147 0.666420 0.666420 Mn\n0.654712 0.336711 0.336711 Mn\n0.327374 0.658240 0.658240 Mn\n0.189718 0.343621 0.343621 Mn\n0.494670 0.997838 0.997838 Mn\n0.003592 0.003778 0.003778 Mn\n0.666225 0.030719 0.636796 O\n0.330072 0.360242 0.972197 O\n0.382471 0.434205 0.434205 O\n0.330072 0.972197 0.360242 O\n0.666225 0.636796 0.030719 O\n0.004695 0.304093 0.696522 O\n0.004695 0.696522 0.304093 O\n0.298931 0.882343 0.882343 F\n0.638923 0.552127 0.552127 F\n0.946483 0.232329 0.232329 F\n0.699810 0.111654 0.111654 F\n0.027186 0.780163 0.780163 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.311801619018575,
"density_atomic": 0.087100067511242,
"volume": 206.65885244780944,
"volume_molar": 6.914048326337661,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -139.53788478,
"energy_per_atom": -7.752104710000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.41088478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.0023424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.696000Z",
"spacegroup": 8
},
{
"id": "mp-1307",
"created_at": "2022-09-04T14:42:27.944502Z",
"structure_string": "Li2 Ga2\n1.0\n0.000000 3.129218 3.129218\n3.129218 0.000000 3.129218\n3.129218 3.129218 0.000000\nLi Ga\n2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 4.1546372762657535,
"density_atomic": 0.06527134115898384,
"volume": 61.282638428664285,
"volume_molar": 9.226316869040037,
"formula_full": "Li2 Ga2",
"formula_reduced": "LiGa",
"formula_anonymous": "AB",
"energy": -11.13490673,
"energy_per_atom": -2.7837266825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.13490673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.407000Z",
"spacegroup": 227
},
{
"id": "mp-1025159",
"created_at": "2022-09-04T14:42:27.976136Z",
"structure_string": "Te4 Rh3\n1.0\n2.015864 6.487699 0.000000\n-2.015864 6.487699 0.000000\n0.000000 3.439834 6.041271\nTe Rh\n4 3\ndirect\n0.366539 0.366539 0.977349 Te\n0.633461 0.633461 0.022651 Te\n0.123532 0.123532 0.542266 Te\n0.876468 0.876468 0.457734 Te\n0.000000 0.000000 0.000000 Rh\n0.261826 0.261826 0.723061 Rh\n0.738174 0.738174 0.276939 Rh\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Te",
"Rh"
],
"chemical_system": "Rh-Te",
"density": 8.607648755000326,
"density_atomic": 0.044298375998060115,
"volume": 158.0193368783212,
"volume_molar": 13.594495564044419,
"formula_full": "Te4 Rh3",
"formula_reduced": "Te4Rh3",
"formula_anonymous": "A3B4",
"energy": -37.34460557,
"energy_per_atom": -5.334943652857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.34460557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.824000Z",
"spacegroup": 12
},
{
"id": "mp-1176051",
"created_at": "2022-09-04T14:42:27.976143Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.845261 -0.118514 1.838762\n2.092568 9.876617 -2.304174\n-0.227929 -0.128297 5.896904\nLi Mn Co O\n9 2 5 16\ndirect\n0.497927 0.132268 0.938302 Li\n0.500099 0.376869 0.310103 Li\n0.509319 0.618059 0.675695 Li\n0.498844 0.873379 0.067139 Li\n0.503846 0.131170 0.444054 Li\n0.492656 0.379344 0.820851 Li\n0.498076 0.616326 0.185578 Li\n0.500356 0.875091 0.555878 Li\n0.000796 0.496329 0.253143 Li\n0.994397 0.002073 0.997704 Mn\n0.996984 0.748574 0.625000 Mn\n0.001996 0.251769 0.370705 Co\n0.990955 0.493070 0.748660 Co\n0.006876 0.737135 0.120008 Co\n0.997298 0.000878 0.495209 Co\n0.009343 0.252768 0.880308 Co\n0.227785 0.068334 0.737892 O\n0.232049 0.307989 0.115079 O\n0.226778 0.575915 0.496726 O\n0.215807 0.821444 0.840032 O\n0.209532 0.058535 0.210240 O\n0.240486 0.310564 0.613398 O\n0.238701 0.574362 0.974843 O\n0.218622 0.820436 0.362866 O\n0.768146 0.179161 0.127845 O\n0.775127 0.425284 0.532081 O\n0.766489 0.691215 0.896168 O\n0.767666 0.935684 0.256588 O\n0.787503 0.176843 0.625865 O\n0.772456 0.429721 0.013127 O\n0.770612 0.700061 0.429401 O\n0.782472 0.939351 0.779513 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.200615607179002,
"density_atomic": 0.11196303055381197,
"volume": 285.8086266664609,
"volume_molar": 5.378686813149116,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.42677268,
"energy_per_atom": -6.51333664625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.90877268,
"band_gap": 0.3466,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9997907,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.198000Z",
"spacegroup": 1
},
{
"id": "mp-6480",
"created_at": "2022-09-04T14:42:27.670982Z",
"structure_string": "Mn12 Al8 Si12 O48\n1.0\n-5.871525 5.871525 5.871525\n5.871525 -5.871525 5.871525\n5.871525 5.871525 -5.871525\nMn Al Si O\n12 8 12 48\ndirect\n0.375000 0.125000 0.250000 Mn\n0.750000 0.125000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.375000 0.750000 0.125000 Mn\n0.125000 0.375000 0.750000 Mn\n0.125000 0.250000 0.375000 Mn\n0.625000 0.250000 0.875000 Mn\n0.250000 0.875000 0.625000 Mn\n0.625000 0.875000 0.750000 Mn\n0.875000 0.625000 0.250000 Mn\n0.875000 0.750000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.582150 0.895060 0.382698 O\n0.382698 0.582150 0.895060 O\n0.300547 0.312909 0.917850 O\n0.487638 0.604940 0.187091 O\n0.312909 0.895060 0.012362 O\n0.117302 0.012362 0.199453 O\n0.382698 0.300547 0.487638 O\n0.895060 0.382698 0.582150 O\n0.187091 0.199453 0.582150 O\n0.487638 0.382698 0.300547 O\n0.895060 0.012362 0.312909 O\n0.604940 0.917850 0.117302 O\n0.917850 0.117302 0.604940 O\n0.300547 0.487638 0.382698 O\n0.582150 0.187091 0.199453 O\n0.199453 0.582150 0.187091 O\n0.012362 0.312909 0.895060 O\n0.917850 0.300547 0.312909 O\n0.012362 0.199453 0.117302 O\n0.812909 0.800547 0.417850 O\n0.187091 0.487638 0.604940 O\n0.604940 0.187091 0.487638 O\n0.199453 0.117302 0.012362 O\n0.117302 0.604940 0.917850 O\n0.417850 0.104940 0.617302 O\n0.617302 0.417850 0.104940 O\n0.699453 0.687091 0.082150 O\n0.512362 0.395060 0.812909 O\n0.687091 0.104940 0.987638 O\n0.882698 0.987638 0.800547 O\n0.617302 0.699453 0.512362 O\n0.104940 0.617302 0.417850 O\n0.882698 0.395060 0.082150 O\n0.800547 0.882698 0.987638 O\n0.395060 0.812909 0.512362 O\n0.687091 0.082150 0.699453 O\n0.812909 0.512362 0.395060 O\n0.987638 0.800547 0.882698 O\n0.082150 0.699453 0.687091 O\n0.987638 0.687091 0.104940 O\n0.800547 0.417850 0.812909 O\n0.417850 0.812909 0.800547 O\n0.699453 0.512362 0.617302 O\n0.082150 0.882698 0.395060 O\n0.395060 0.082150 0.882698 O\n0.104940 0.987638 0.687091 O\n0.512362 0.617302 0.699453 O\n0.312909 0.917850 0.300547 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mn",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Mn-O-Si",
"density": 4.060923548289195,
"density_atomic": 0.09880462007241748,
"volume": 809.6787371012115,
"volume_molar": 6.094999156503162,
"formula_full": "Mn12 Al8 Si12 O48",
"formula_reduced": "Mn3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -678.9654117399999,
"energy_per_atom": -8.487067646749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -625.97341174,
"band_gap": 3.5477,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.0006094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.066000Z",
"spacegroup": 230
},
{
"id": "mp-3545",
"created_at": "2022-09-04T14:42:27.674036Z",
"structure_string": "Ce4 Mg4 Si8\n1.0\n-2.095222 2.095222 18.535108\n2.095222 -2.095222 18.535108\n2.095222 2.095222 -18.535108\nCe Mg Si\n4 4 8\ndirect\n0.828148 0.328148 0.500000 Ce\n0.078148 0.078148 0.000000 Ce\n0.921852 0.921852 0.000000 Ce\n0.671852 0.171852 0.500000 Ce\n0.249921 0.249921 0.000000 Mg\n0.500079 0.000079 0.500000 Mg\n0.750079 0.750079 0.000000 Mg\n0.999921 0.499921 0.500000 Mg\n0.201697 0.701697 0.500000 Si\n0.298303 0.798303 0.500000 Si\n0.451697 0.451697 0.000000 Si\n0.548303 0.548303 0.000000 Si\n0.139253 0.639253 0.500000 Si\n0.389253 0.389253 0.000000 Si\n0.610747 0.610747 0.000000 Si\n0.360747 0.860747 0.500000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Si"
],
"chemical_system": "Ce-Mg-Si",
"density": 4.501773534469904,
"density_atomic": 0.049159196894881435,
"volume": 325.4731771597749,
"volume_molar": 12.250283040378633,
"formula_full": "Ce4 Mg4 Si8",
"formula_reduced": "CeMgSi2",
"formula_anonymous": "ABC2",
"energy": -81.34436988,
"energy_per_atom": -5.0840231175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.91236988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0157782,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.055000Z",
"spacegroup": 141
},
{
"id": "mp-4699",
"created_at": "2022-09-04T14:42:27.686984Z",
"structure_string": "Na4 Ta4 O12\n1.0\n3.911761 -3.947060 0.000000\n3.911761 3.947060 0.000000\n0.000000 0.000000 7.902826\nNa Ta O\n4 4 12\ndirect\n0.990302 0.009698 0.750000 Na\n0.009698 0.990302 0.250000 Na\n0.497246 0.502754 0.750000 Na\n0.502754 0.497246 0.250000 Na\n0.500000 0.000000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.968659 0.457361 0.750000 O\n0.031341 0.542639 0.250000 O\n0.457361 0.968659 0.250000 O\n0.542639 0.031341 0.750000 O\n0.212014 0.787986 0.536196 O\n0.787986 0.212014 0.036196 O\n0.787986 0.212014 0.463804 O\n0.212014 0.787986 0.963804 O\n0.289440 0.289440 0.000000 O\n0.710560 0.710560 0.500000 O\n0.710560 0.710560 0.000000 O\n0.289440 0.289440 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Ta",
"O"
],
"chemical_system": "Na-O-Ta",
"density": 6.857101884357956,
"density_atomic": 0.08195426114534606,
"volume": 244.03856151579427,
"volume_molar": 7.34817284158016,
"formula_full": "Na4 Ta4 O12",
"formula_reduced": "NaTaO3",
"formula_anonymous": "ABC3",
"energy": -173.44222538,
"energy_per_atom": -8.672111269,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.19822538,
"band_gap": 2.5313000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019237,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.135000Z",
"spacegroup": 63
},
{
"id": "mp-1200344",
"created_at": "2022-09-04T14:42:27.691624Z",
"structure_string": "Tl4 Mo18 S22\n1.0\n12.268167 -4.704594 0.000000\n12.268167 4.704594 0.000000\n10.464051 0.000000 7.946368\nTl Mo S\n4 18 22\ndirect\n0.447029 0.447029 0.447029 Tl\n0.947029 0.947029 0.947029 Tl\n0.552971 0.552971 0.552971 Tl\n0.052971 0.052971 0.052971 Tl\n0.250000 0.082753 0.417247 Mo\n0.417247 0.250000 0.082753 Mo\n0.082753 0.417247 0.250000 Mo\n0.917247 0.582753 0.750000 Mo\n0.750000 0.917247 0.582753 Mo\n0.582753 0.750000 0.917247 Mo\n0.143885 0.323381 0.472906 Mo\n0.472906 0.143885 0.323381 Mo\n0.323381 0.472906 0.143885 Mo\n0.972906 0.823381 0.643885 Mo\n0.643885 0.972906 0.823381 Mo\n0.823381 0.643885 0.972906 Mo\n0.856115 0.676619 0.527094 Mo\n0.527094 0.856115 0.676619 Mo\n0.676619 0.527094 0.856115 Mo\n0.027094 0.176619 0.356115 Mo\n0.356115 0.027094 0.176619 Mo\n0.176619 0.356115 0.027094 Mo\n0.946006 0.250000 0.553994 S\n0.553994 0.946006 0.250000 S\n0.250000 0.553994 0.946006 S\n0.053994 0.750000 0.446006 S\n0.446006 0.053994 0.750000 S\n0.750000 0.446006 0.053994 S\n0.284313 0.018555 0.621223 S\n0.621223 0.284313 0.018555 S\n0.018555 0.621223 0.284313 S\n0.121223 0.518555 0.784313 S\n0.784313 0.121223 0.518555 S\n0.518555 0.784313 0.121223 S\n0.715687 0.981445 0.378777 S\n0.378777 0.715687 0.981445 S\n0.981445 0.378777 0.715687 S\n0.878777 0.481445 0.215687 S\n0.215687 0.878777 0.481445 S\n0.481445 0.215687 0.878777 S\n0.364518 0.364518 0.364518 S\n0.864518 0.864518 0.864518 S\n0.635482 0.635482 0.635482 S\n0.135482 0.135482 0.135482 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"S"
],
"chemical_system": "Mo-S-Tl",
"density": 5.883237104192992,
"density_atomic": 0.04796806257648103,
"volume": 917.2769888265909,
"volume_molar": 12.554479869596996,
"formula_full": "Tl4 Mo18 S22",
"formula_reduced": "Tl2Mo9S11",
"formula_anonymous": "A2B9C11",
"energy": -334.86596226999995,
"energy_per_atom": -7.610590051590908,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.79996227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007635,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.179000Z",
"spacegroup": 167
},
{
"id": "mp-1178654",
"created_at": "2022-09-04T14:42:27.702600Z",
"structure_string": "Yb2 O6\n1.0\n3.689971 0.000000 0.000000\n0.000000 4.484769 0.000000\n0.000000 1.750888 6.072849\nYb O\n2 6\ndirect\n0.750000 0.679654 0.694220 Yb\n0.250000 0.320346 0.305780 Yb\n0.750000 0.556385 0.082675 O\n0.750000 0.989483 0.275369 O\n0.750000 0.243031 0.552438 O\n0.250000 0.443615 0.917325 O\n0.250000 0.010517 0.724631 O\n0.250000 0.756969 0.447562 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 7.304507079764449,
"density_atomic": 0.07960392336159024,
"volume": 100.49755919266772,
"volume_molar": 7.565130593683461,
"formula_full": "Yb2 O6",
"formula_reduced": "YbO3",
"formula_anonymous": "AB3",
"energy": -43.21354501,
"energy_per_atom": -5.40169312625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.09154501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0261878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.722000Z",
"spacegroup": 11
},
{
"id": "mp-260",
"created_at": "2022-09-04T14:42:27.709486Z",
"structure_string": "Cr2 B2\n1.0\n1.463308 -3.925437 0.000000\n1.463308 3.925437 0.000000\n0.000000 0.000000 2.916397\nCr B\n2 2\ndirect\n0.854533 0.145467 0.750000 Cr\n0.145467 0.854533 0.250000 Cr\n0.564426 0.435574 0.750000 B\n0.435574 0.564426 0.250000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"B"
],
"chemical_system": "B-Cr",
"density": 6.225689217418206,
"density_atomic": 0.11938770237206656,
"volume": 33.50428830210816,
"volume_molar": 5.044188505472919,
"formula_full": "Cr2 B2",
"formula_reduced": "CrB",
"formula_anonymous": "AB",
"energy": -34.74558514,
"energy_per_atom": -8.686396285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.74558514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.583000Z",
"spacegroup": 63
},
{
"id": "mp-14996",
"created_at": "2022-09-04T14:42:27.713214Z",
"structure_string": "Na2 Eu2 Ti3 O10\n1.0\n-1.930940 1.930940 14.304720\n1.930940 -1.930940 14.304720\n1.930940 1.930940 -14.304720\nNa Eu Ti O\n2 2 3 10\ndirect\n0.288655 0.288655 0.000000 Na\n0.711345 0.711345 0.000000 Na\n0.424463 0.424463 0.000000 Eu\n0.575537 0.575537 0.000000 Eu\n0.146614 0.146614 0.000000 Ti\n0.853386 0.853386 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.367437 0.867437 0.500000 O\n0.867437 0.367437 0.500000 O\n0.632563 0.132563 0.500000 O\n0.132563 0.632563 0.500000 O\n0.791768 0.791768 0.000000 O\n0.208232 0.208232 0.000000 O\n0.932406 0.932406 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.067594 0.067594 0.000000 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Na",
"Eu",
"Ti",
"O"
],
"chemical_system": "Eu-Na-O-Ti",
"density": 5.08650487855521,
"density_atomic": 0.07968416210958766,
"volume": 213.3422696547944,
"volume_molar": 7.55751281128852,
"formula_full": "Na2 Eu2 Ti3 O10",
"formula_reduced": "Na2Eu2Ti3O10",
"formula_anonymous": "A2B2C3D10",
"energy": -150.06788529,
"energy_per_atom": -8.827522664117646,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.19788529,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0004885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.360000Z",
"spacegroup": 139
},
{
"id": "mp-1104849",
"created_at": "2022-09-04T14:42:27.720587Z",
"structure_string": "Sr1 Ag2 I4 O8\n1.0\n-3.944013 3.944013 4.908279\n3.944013 -3.944013 4.908279\n3.944013 3.944013 -4.908279\nSr Ag I O\n1 2 4 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.490332 0.509668 0.500000 I\n0.009668 0.990332 0.500000 I\n0.509668 0.009668 0.019336 I\n0.990332 0.490332 0.980664 I\n0.192457 0.882839 0.775970 O\n0.106869 0.416487 0.224030 O\n0.807543 0.583513 0.690382 O\n0.893131 0.117161 0.309618 O\n0.583513 0.893131 0.775970 O\n0.117161 0.807543 0.224030 O\n0.882839 0.106869 0.690382 O\n0.416487 0.192457 0.309618 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Sr",
"Ag",
"I",
"O"
],
"chemical_system": "Ag-I-O-Sr",
"density": 5.105457504503519,
"density_atomic": 0.04911626693171691,
"volume": 305.3978027453411,
"volume_molar": 12.260990372847722,
"formula_full": "Sr1 Ag2 I4 O8",
"formula_reduced": "SrAg2(IO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -67.15864631,
"energy_per_atom": -4.477243087333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.66264631,
"band_gap": 0.794,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001582,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.115000Z",
"spacegroup": 97
}
]
}