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=12168",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12166",
"results": [
{
"id": "mp-1221164",
"created_at": "2022-09-04T14:44:09.417809Z",
"structure_string": "Na10 U10 O36\n1.0\n9.912824 6.217198 0.000000\n-9.912824 6.217198 0.000000\n0.000000 1.319427 6.768014\nNa U O\n10 10 36\ndirect\n0.551196 0.448220 0.757578 Na\n0.448220 0.551196 0.257578 Na\n0.057161 0.944195 0.250306 Na\n0.944195 0.057161 0.750306 Na\n0.140392 0.860067 0.751004 Na\n0.860067 0.140392 0.251004 Na\n0.251022 0.750034 0.253628 Na\n0.750034 0.251022 0.753628 Na\n0.653627 0.366480 0.275067 Na\n0.366480 0.653627 0.775067 Na\n0.908656 0.603184 0.530540 U\n0.397725 0.092227 0.971060 U\n0.092227 0.397725 0.471060 U\n0.603184 0.908656 0.030540 U\n0.000903 0.501224 0.000714 U\n0.501224 0.000903 0.500714 U\n0.795534 0.708009 0.993381 U\n0.292974 0.205364 0.507782 U\n0.205364 0.292974 0.007782 U\n0.708009 0.795534 0.493381 U\n0.788785 0.689728 0.670668 O\n0.310108 0.211214 0.830859 O\n0.211214 0.310108 0.330859 O\n0.689728 0.788785 0.170668 O\n0.755181 0.447579 0.576826 O\n0.552537 0.244730 0.918987 O\n0.244730 0.552537 0.418987 O\n0.447579 0.755181 0.076826 O\n0.646653 0.546513 0.051680 O\n0.453947 0.354916 0.452968 O\n0.354916 0.453947 0.952968 O\n0.546513 0.646653 0.551680 O\n0.063819 0.758806 0.476532 O\n0.242259 0.937023 0.025175 O\n0.937023 0.242259 0.525175 O\n0.758806 0.063819 0.976532 O\n0.840917 0.679268 0.288121 O\n0.320592 0.160166 0.212755 O\n0.160166 0.320592 0.712755 O\n0.679268 0.840917 0.788121 O\n0.924358 0.625568 0.882905 O\n0.376057 0.077101 0.617213 O\n0.077101 0.376057 0.117213 O\n0.625568 0.924358 0.382905 O\n0.942269 0.869311 0.933806 O\n0.131885 0.058180 0.567056 O\n0.058180 0.131885 0.067056 O\n0.869311 0.942269 0.433806 O\n0.168793 0.640203 0.942218 O\n0.363007 0.832461 0.561895 O\n0.832461 0.363007 0.061895 O\n0.640203 0.168793 0.442218 O\n0.003282 0.475750 0.689535 O\n0.525263 0.997172 0.812542 O\n0.997172 0.525263 0.312542 O\n0.475750 0.003282 0.189535 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Na",
"U",
"O"
],
"chemical_system": "Na-O-U",
"density": 6.342114057977604,
"density_atomic": 0.06712815159951051,
"volume": 834.2252641499568,
"volume_molar": 8.971110654034325,
"formula_full": "Na10 U10 O36",
"formula_reduced": "Na5U5O18",
"formula_anonymous": "A5B5C18",
"energy": -484.64618974,
"energy_per_atom": -8.654396245357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -459.91418974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.073568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.245000Z",
"spacegroup": 9
},
{
"id": "mp-1219692",
"created_at": "2022-09-04T14:44:09.419314Z",
"structure_string": "Pr1 Bi3 Ru4 O14\n1.0\n6.414446 -3.672425 0.000000\n6.414446 3.672425 0.000000\n4.311895 0.000000 6.003281\nPr Bi Ru O\n1 3 4 14\ndirect\n0.500000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.625706 0.625706 0.625706 O\n0.374294 0.374294 0.374294 O\n0.922031 0.922031 0.327215 O\n0.327215 0.922031 0.922031 O\n0.922031 0.327215 0.922031 O\n0.327960 0.327960 0.926262 O\n0.926262 0.327960 0.327960 O\n0.327960 0.926262 0.327960 O\n0.077969 0.077969 0.672785 O\n0.672785 0.077969 0.077969 O\n0.077969 0.672785 0.077969 O\n0.672040 0.672040 0.073738 O\n0.073738 0.672040 0.672040 O\n0.672040 0.073738 0.672040 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Pr",
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-O-Pr-Ru",
"density": 8.196741323346625,
"density_atomic": 0.07778429582278024,
"volume": 282.8334404430899,
"volume_molar": 7.742103590833473,
"formula_full": "Pr1 Bi3 Ru4 O14",
"formula_reduced": "PrBi3(Ru2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -162.11823988,
"energy_per_atom": -7.369010903636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.50023988,
"band_gap": 0.0608999999999992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.071000Z",
"spacegroup": 166
},
{
"id": "mp-1215288",
"created_at": "2022-09-04T14:44:09.421653Z",
"structure_string": "Zr1 Al1 N2\n1.0\n3.137124 0.000000 0.000000\n0.000000 3.137124 0.000000\n0.000000 0.000000 4.482213\nZr Al N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"N"
],
"chemical_system": "Al-N-Zr",
"density": 5.5042336767088225,
"density_atomic": 0.09067845877121651,
"volume": 44.1119098648564,
"volume_molar": 6.6412032599649455,
"formula_full": "Zr1 Al1 N2",
"formula_reduced": "ZrAlN2",
"formula_anonymous": "ABC2",
"energy": -33.95635144,
"energy_per_atom": -8.48908786,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.23435144,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.149000Z",
"spacegroup": 123
},
{
"id": "mp-1194589",
"created_at": "2022-09-04T14:44:09.425326Z",
"structure_string": "Ge4 H24 C8 S8 O24\n1.0\n7.662913 0.000000 0.000000\n0.000000 7.662913 0.000000\n0.000000 0.000000 14.529819\nGe H C S O\n4 24 8 8 24\ndirect\n0.313661 0.686339 0.750000 Ge\n0.686339 0.313661 0.250000 Ge\n0.186339 0.186339 0.500000 Ge\n0.813661 0.813661 0.000000 Ge\n0.296972 0.100944 0.828910 H\n0.703028 0.899056 0.328910 H\n0.600944 0.203028 0.578910 H\n0.399056 0.796972 0.078910 H\n0.899056 0.703028 0.671090 H\n0.100944 0.296972 0.171090 H\n0.203028 0.600944 0.421090 H\n0.796972 0.399056 0.921090 H\n0.063991 0.104963 0.848215 H\n0.936009 0.895037 0.348215 H\n0.604963 0.436009 0.598215 H\n0.395037 0.563991 0.098215 H\n0.895037 0.936009 0.651785 H\n0.104963 0.063991 0.151785 H\n0.436009 0.604963 0.401785 H\n0.563991 0.395037 0.901785 H\n0.199648 0.268421 0.900570 H\n0.800352 0.731579 0.400570 H\n0.768421 0.300352 0.650570 H\n0.231579 0.699648 0.150570 H\n0.731579 0.800352 0.599430 H\n0.268421 0.199648 0.099430 H\n0.300352 0.768421 0.349430 H\n0.699648 0.231579 0.849430 H\n0.182663 0.183413 0.840660 C\n0.817337 0.816587 0.340660 C\n0.683413 0.317337 0.590660 C\n0.316587 0.682663 0.090660 C\n0.816587 0.817337 0.659340 C\n0.183413 0.182663 0.159340 C\n0.317337 0.683413 0.409340 C\n0.682663 0.316587 0.909340 C\n0.152278 0.316545 0.742950 S\n0.847722 0.683455 0.242950 S\n0.816545 0.347722 0.492950 S\n0.183455 0.652278 0.992950 S\n0.683455 0.847722 0.757050 S\n0.316545 0.152278 0.257050 S\n0.347722 0.816545 0.507050 S\n0.652278 0.183455 0.007050 S\n0.319990 0.427018 0.737248 O\n0.680010 0.572982 0.237248 O\n0.927018 0.180010 0.487248 O\n0.072982 0.819990 0.987248 O\n0.572982 0.680010 0.762752 O\n0.427018 0.319990 0.262752 O\n0.180010 0.927018 0.512752 O\n0.819990 0.072982 0.012752 O\n0.144950 0.197470 0.663301 O\n0.855050 0.802530 0.163301 O\n0.697470 0.355050 0.413301 O\n0.302530 0.644950 0.913301 O\n0.802530 0.855050 0.836699 O\n0.197470 0.144950 0.336699 O\n0.355050 0.697470 0.586699 O\n0.644950 0.302530 0.086699 O\n0.999900 0.425778 0.756424 O\n0.000100 0.574222 0.256424 O\n0.925778 0.500100 0.506424 O\n0.074222 0.499900 0.006424 O\n0.574222 0.000100 0.743576 O\n0.425778 0.999900 0.243576 O\n0.500100 0.925778 0.493576 O\n0.499900 0.074222 0.993576 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Ge",
"H",
"C",
"S",
"O"
],
"chemical_system": "C-Ge-H-O-S",
"density": 2.046185574937891,
"density_atomic": 0.07970047664784849,
"volume": 853.1943955674657,
"volume_molar": 7.555965802574115,
"formula_full": "Ge4 H24 C8 S8 O24",
"formula_reduced": "GeH6C2(SO3)2",
"formula_anonymous": "AB2C2D6E6",
"energy": -393.07047071,
"energy_per_atom": -5.78044809867647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.58247071,
"band_gap": 5.131,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.188795,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.462000Z",
"spacegroup": 92
},
{
"id": "mp-1040333",
"created_at": "2022-09-04T14:44:09.429624Z",
"structure_string": "Mg30 Ti1 C1 O32\n1.0\n8.489816 0.000000 0.000000\n0.000000 8.489816 0.000000\n0.000000 0.000000 8.641078\nMg Ti C O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248731 0.254672 Mg\n0.000000 0.248731 0.745328 Mg\n0.000000 0.751269 0.254672 Mg\n0.000000 0.751269 0.745328 Mg\n0.500000 0.249508 0.250881 Mg\n0.500000 0.249508 0.749119 Mg\n0.500000 0.750492 0.250881 Mg\n0.500000 0.750492 0.749119 Mg\n0.248731 0.000000 0.254672 Mg\n0.248731 0.000000 0.745328 Mg\n0.249508 0.500000 0.250881 Mg\n0.249508 0.500000 0.749119 Mg\n0.751269 0.000000 0.254672 Mg\n0.751269 0.000000 0.745328 Mg\n0.750492 0.500000 0.250881 Mg\n0.750492 0.500000 0.749119 Mg\n0.250638 0.250638 0.000000 Mg\n0.248004 0.248004 0.500000 Mg\n0.250638 0.749362 0.000000 Mg\n0.248004 0.751996 0.500000 Mg\n0.749362 0.250638 0.000000 Mg\n0.751996 0.248004 0.500000 Mg\n0.749362 0.749362 0.000000 Mg\n0.751996 0.751996 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 C\n0.252767 0.000000 0.000000 O\n0.256059 0.000000 0.500000 O\n0.250328 0.500000 0.000000 O\n0.250260 0.500000 0.500000 O\n0.747233 0.000000 0.000000 O\n0.743941 0.000000 0.500000 O\n0.749672 0.500000 0.000000 O\n0.749740 0.500000 0.500000 O\n0.248826 0.248826 0.250732 O\n0.248826 0.248826 0.749268 O\n0.248826 0.751174 0.250732 O\n0.248826 0.751174 0.749268 O\n0.751174 0.248826 0.250732 O\n0.751174 0.248826 0.749268 O\n0.751174 0.751174 0.250732 O\n0.751174 0.751174 0.749268 O\n0.000000 0.000000 0.221525 O\n0.000000 0.000000 0.778475 O\n0.000000 0.500000 0.249570 O\n0.000000 0.500000 0.750430 O\n0.500000 0.000000 0.249570 O\n0.500000 0.000000 0.750430 O\n0.500000 0.500000 0.249637 O\n0.500000 0.500000 0.750363 O\n0.000000 0.252767 0.000000 O\n0.000000 0.256059 0.500000 O\n0.000000 0.747233 0.000000 O\n0.000000 0.743941 0.500000 O\n0.500000 0.250328 0.000000 O\n0.500000 0.250260 0.500000 O\n0.500000 0.749672 0.000000 O\n0.500000 0.749740 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"C",
"O"
],
"chemical_system": "C-Mg-O-Ti",
"density": 3.468684106050902,
"density_atomic": 0.10275796449702303,
"volume": 622.8227691475353,
"volume_molar": 5.860509975530379,
"formula_full": "Mg30 Ti1 C1 O32",
"formula_reduced": "Mg30TiCO32",
"formula_anonymous": "ABC30D32",
"energy": -407.78564841,
"energy_per_atom": -6.37165075640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -385.80164841,
"band_gap": 0.3008999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0023399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.260000Z",
"spacegroup": 123
},
{
"id": "mp-2617",
"created_at": "2022-09-04T14:44:09.432790Z",
"structure_string": "B4 Pd10\n1.0\n2.506220 6.486236 0.000000\n-2.506220 6.486236 0.000000\n0.000000 0.682363 5.489478\nB Pd\n4 10\ndirect\n0.184007 0.587350 0.578456 B\n0.412650 0.815993 0.921544 B\n0.815993 0.412650 0.421544 B\n0.587350 0.184007 0.078456 B\n0.186995 0.004924 0.580529 Pd\n0.995076 0.813005 0.919471 Pd\n0.217161 0.358430 0.314863 Pd\n0.641570 0.782839 0.185137 Pd\n0.782839 0.641570 0.685137 Pd\n0.358430 0.217161 0.814863 Pd\n0.004924 0.186995 0.080529 Pd\n0.813005 0.995076 0.419471 Pd\n0.568670 0.431330 0.750000 Pd\n0.431330 0.568670 0.250000 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"Pd"
],
"chemical_system": "B-Pd",
"density": 10.303811136698823,
"density_atomic": 0.07844315511352194,
"volume": 178.47318838386062,
"volume_molar": 7.677076159525754,
"formula_full": "B4 Pd10",
"formula_reduced": "B2Pd5",
"formula_anonymous": "A2B5",
"energy": -82.08905441,
"energy_per_atom": -5.863503886428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.08905441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001109,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.122000Z",
"spacegroup": 15
},
{
"id": "mp-862846",
"created_at": "2022-09-04T14:44:09.436997Z",
"structure_string": "Ca1 La1 Hg2\n1.0\n0.000000 3.861056 3.861056\n3.861056 0.000000 3.861056\n3.861056 3.861056 0.000000\nCa La Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"La",
"Hg"
],
"chemical_system": "Ca-Hg-La",
"density": 8.368568589505779,
"density_atomic": 0.03474655032874406,
"volume": 115.11934169450493,
"volume_molar": 17.33162199707114,
"formula_full": "Ca1 La1 Hg2",
"formula_reduced": "CaLaHg2",
"formula_anonymous": "ABC2",
"energy": -9.83586161,
"energy_per_atom": -2.4589654025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.83586161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.008000Z",
"spacegroup": 225
},
{
"id": "mp-770521",
"created_at": "2022-09-04T14:44:09.451356Z",
"structure_string": "Li4 V3 Fe3 W2 O16\n1.0\n3.026331 5.236825 0.000000\n-3.026331 5.236825 0.000000\n0.000000 0.161523 9.818872\nLi V Fe W O\n4 3 3 2 16\ndirect\n0.670329 0.670329 0.904742 Li\n0.996512 0.996512 0.988746 Li\n0.997906 0.997906 0.487965 Li\n0.338330 0.338330 0.406461 Li\n0.823812 0.823812 0.222188 V\n0.654367 0.165834 0.716187 V\n0.165834 0.654367 0.716187 V\n0.826931 0.337074 0.212079 Fe\n0.337074 0.826931 0.212079 Fe\n0.168770 0.168770 0.711302 Fe\n0.663017 0.663017 0.488858 W\n0.329249 0.329249 0.988532 W\n0.818460 0.344911 0.585451 O\n0.525249 0.525249 0.358237 O\n0.683521 0.683521 0.111526 O\n0.986586 0.986586 0.296546 O\n0.995722 0.995722 0.800452 O\n0.344911 0.818460 0.585451 O\n0.961154 0.536509 0.351508 O\n0.536509 0.961154 0.351508 O\n0.170454 0.170454 0.080763 O\n0.824534 0.824534 0.592520 O\n0.494460 0.041538 0.852105 O\n0.041538 0.494460 0.852105 O\n0.337259 0.337259 0.608038 O\n0.646902 0.166679 0.088269 O\n0.479884 0.479884 0.847996 O\n0.166679 0.646902 0.088269 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-O-V-W",
"density": 5.18498117715162,
"density_atomic": 0.08996673285676601,
"volume": 311.22615116610007,
"volume_molar": 6.693741751840331,
"formula_full": "Li4 V3 Fe3 W2 O16",
"formula_reduced": "Li4V3Fe3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -227.10064495,
"energy_per_atom": -8.110737319642856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.36464495,
"band_gap": 0.8064,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.0000731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.722000Z",
"spacegroup": 8
},
{
"id": "mp-1187089",
"created_at": "2022-09-04T14:44:09.505475Z",
"structure_string": "Sr2 O3\n1.0\n4.577653 0.000000 0.000000\n0.000000 4.577653 0.000000\n0.000000 0.000000 4.577653\nSr O\n2 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sr",
"O"
],
"chemical_system": "O-Sr",
"density": 3.864461663271899,
"density_atomic": 0.05212443951324083,
"volume": 95.92429284021141,
"volume_molar": 11.553391875744266,
"formula_full": "Sr2 O3",
"formula_reduced": "Sr2O3",
"formula_anonymous": "A2B3",
"energy": -27.9681584,
"energy_per_atom": -5.59363168,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.9071584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.790000Z",
"spacegroup": 221
},
{
"id": "mp-1187483",
"created_at": "2022-09-04T14:44:09.505939Z",
"structure_string": "Tl1 Cu1 O3\n1.0\n3.842897 0.000000 0.000000\n0.000000 3.842897 0.000000\n0.000000 0.000000 3.842897\nTl Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"O"
],
"chemical_system": "Cu-O-Tl",
"density": 9.244007629094678,
"density_atomic": 0.08810362369239769,
"volume": 56.751354716769065,
"volume_molar": 6.835292928501465,
"formula_full": "Tl1 Cu1 O3",
"formula_reduced": "TlCuO3",
"formula_anonymous": "ABC3",
"energy": -24.59783353,
"energy_per_atom": -4.9195667059999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.53683353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.766000Z",
"spacegroup": 221
},
{
"id": "mp-1210941",
"created_at": "2022-09-04T14:44:09.512838Z",
"structure_string": "Li2 Mg8 Sn2 O16\n1.0\n3.032265 -5.252038 0.000000\n3.032265 5.252038 0.000000\n0.000000 0.000000 10.027265\nLi Mg Sn O\n2 8 2 16\ndirect\n0.000000 0.000000 0.820999 Li\n0.000000 0.000000 0.320999 Li\n0.829404 0.658808 0.602488 Mg\n0.829404 0.170596 0.602488 Mg\n0.170596 0.341192 0.102488 Mg\n0.341192 0.170596 0.602488 Mg\n0.170596 0.829404 0.102488 Mg\n0.658808 0.829404 0.102488 Mg\n0.666667 0.333333 0.911634 Mg\n0.333333 0.666667 0.411634 Mg\n0.666667 0.333333 0.326107 Sn\n0.333333 0.666667 0.826107 Sn\n0.484619 0.969238 0.968593 O\n0.484619 0.515381 0.968593 O\n0.515381 0.030762 0.468593 O\n0.030762 0.515381 0.968593 O\n0.515381 0.484619 0.468593 O\n0.969238 0.484619 0.468593 O\n0.666667 0.333333 0.714260 O\n0.333333 0.666667 0.214260 O\n0.163776 0.327552 0.719524 O\n0.163776 0.836224 0.719524 O\n0.836224 0.672448 0.219524 O\n0.672448 0.836224 0.719524 O\n0.836224 0.163776 0.219524 O\n0.327552 0.163776 0.219524 O\n0.000000 0.000000 0.005185 O\n0.000000 0.000000 0.505185 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Sn",
"O"
],
"chemical_system": "Li-Mg-O-Sn",
"density": 3.648489707414651,
"density_atomic": 0.0876699038604382,
"volume": 319.37984150836104,
"volume_molar": 6.869108433820861,
"formula_full": "Li2 Mg8 Sn2 O16",
"formula_reduced": "LiMg4SnO8",
"formula_anonymous": "ABC4D8",
"energy": -167.46632018999998,
"energy_per_atom": -5.980940006785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.47432019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0004172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.090000Z",
"spacegroup": 186
},
{
"id": "mp-1194135",
"created_at": "2022-09-04T14:44:09.519699Z",
"structure_string": "Cs6 Er4 I18\n1.0\n4.356870 -7.546320 0.000000\n4.356870 7.546320 0.000000\n0.000000 0.000000 21.706868\nCs Er I\n6 4 18\ndirect\n0.333333 0.666667 0.430442 Cs\n0.666667 0.333333 0.569558 Cs\n0.666667 0.333333 0.930442 Cs\n0.333333 0.666667 0.069558 Cs\n0.000000 0.000000 0.250000 Cs\n0.000000 0.000000 0.750000 Cs\n0.666667 0.333333 0.343563 Er\n0.333333 0.666667 0.656437 Er\n0.333333 0.666667 0.843563 Er\n0.666667 0.333333 0.156437 Er\n0.832287 0.664574 0.412850 I\n0.335426 0.167713 0.412850 I\n0.832287 0.167713 0.412850 I\n0.167713 0.335426 0.587150 I\n0.664574 0.832287 0.587150 I\n0.167713 0.832287 0.587150 I\n0.167713 0.335426 0.912850 I\n0.664574 0.832287 0.912850 I\n0.167713 0.832287 0.912850 I\n0.832287 0.664574 0.087150 I\n0.335426 0.167713 0.087150 I\n0.832287 0.167713 0.087150 I\n0.508679 0.017357 0.250000 I\n0.982643 0.491321 0.250000 I\n0.508679 0.491321 0.250000 I\n0.491321 0.982643 0.750000 I\n0.017357 0.508679 0.750000 I\n0.491321 0.508679 0.750000 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"Er",
"I"
],
"chemical_system": "Cs-Er-I",
"density": 4.363451362117658,
"density_atomic": 0.019616478711053063,
"volume": 1427.37136529112,
"volume_molar": 30.69939742348751,
"formula_full": "Cs6 Er4 I18",
"formula_reduced": "Cs3Er2I9",
"formula_anonymous": "A2B3C9",
"energy": -99.82779661,
"energy_per_atom": -3.5652784503571424,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.00579661,
"band_gap": 2.8905,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0190379,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.416000Z",
"spacegroup": 194
}
]
}