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=10153",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10151",
"results": [
{
"id": "mp-865553",
"created_at": "2022-09-04T14:46:11.775337Z",
"structure_string": "Ca1 Eu1 In2\n1.0\n0.000000 3.969522 3.969522\n3.969522 0.000000 3.969522\n3.969522 3.969522 0.000000\nCa Eu In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Eu",
"In"
],
"chemical_system": "Ca-Eu-In",
"density": 5.597387910275728,
"density_atomic": 0.03197535360692428,
"volume": 125.09634918107044,
"volume_molar": 18.833695583262923,
"formula_full": "Ca1 Eu1 In2",
"formula_reduced": "CaEuIn2",
"formula_anonymous": "ABC2",
"energy": -19.64220706,
"energy_per_atom": -4.910551765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.64220706,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9990905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.346000Z",
"spacegroup": 225
},
{
"id": "mp-1078670",
"created_at": "2022-09-04T14:46:11.774488Z",
"structure_string": "Eu2 H2 O6\n1.0\n3.765045 0.000000 0.000000\n0.000000 5.689731 0.000000\n0.000000 2.401589 5.373089\nEu H O\n2 2 6\ndirect\n0.250000 0.682104 0.686787 Eu\n0.750000 0.317896 0.313213 Eu\n0.250000 0.120268 0.009493 H\n0.750000 0.879732 0.990507 H\n0.250000 0.581169 0.332714 O\n0.250000 0.117794 0.582390 O\n0.250000 0.272196 0.047762 O\n0.750000 0.418831 0.667286 O\n0.750000 0.882206 0.417610 O\n0.750000 0.727804 0.952238 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"H",
"O"
],
"chemical_system": "Eu-H-O",
"density": 5.798620523889233,
"density_atomic": 0.08687884931749948,
"volume": 115.10281361410436,
"volume_molar": 6.9316534545618085,
"formula_full": "Eu2 H2 O6",
"formula_reduced": "EuHO3",
"formula_anonymous": "ABC3",
"energy": -74.40352082,
"energy_per_atom": -7.4403520819999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.28152082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.983575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.147000Z",
"spacegroup": 11
},
{
"id": "mp-554669",
"created_at": "2022-09-04T14:46:11.812248Z",
"structure_string": "Ba3 Ta2 Cd1 O9\n1.0\n2.976029 -5.154634 0.000000\n2.976029 5.154634 0.000000\n0.000000 0.000000 7.364791\nBa Ta Cd O\n3 2 1 9\ndirect\n0.666667 0.333333 0.335027 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.664973 Ba\n0.333333 0.666667 0.167672 Ta\n0.666667 0.333333 0.832328 Ta\n0.000000 0.000000 0.500000 Cd\n0.353773 0.176887 0.687569 O\n0.823113 0.646227 0.687569 O\n0.176887 0.353773 0.312431 O\n0.000000 0.500000 0.000000 O\n0.176887 0.823113 0.312431 O\n0.646227 0.823113 0.312431 O\n0.823113 0.176887 0.687569 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Cd",
"O"
],
"chemical_system": "Ba-Cd-O-Ta",
"density": 7.571465471423856,
"density_atomic": 0.06638437084978051,
"volume": 225.9567998910936,
"volume_molar": 9.071624364155456,
"formula_full": "Ba3 Ta2 Cd1 O9",
"formula_reduced": "Ba3Ta2CdO9",
"formula_anonymous": "AB2C3D9",
"energy": -122.48668927,
"energy_per_atom": -8.165779284666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.30368927,
"band_gap": 3.4856,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012339,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.714000Z",
"spacegroup": 164
},
{
"id": "mp-1517512",
"created_at": "2022-09-04T14:46:10.044292Z",
"structure_string": "Eu1 Nb1 Fe1 Sn1 O6\n1.0\n0.000000 -4.020891 -4.020891\n4.020891 0.000000 -4.020891\n4.020891 -4.020891 -0.000000\nEu Nb Fe Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Sn\n0.749580 0.250420 0.250420 O\n0.250420 0.749580 0.749580 O\n0.749580 0.250420 0.749580 O\n0.250420 0.749580 0.250420 O\n0.749580 0.749580 0.250420 O\n0.250420 0.250420 0.749580 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Nb",
"Fe",
"Sn",
"O"
],
"chemical_system": "Eu-Fe-Nb-O-Sn",
"density": 6.582865284881158,
"density_atomic": 0.07691359368510113,
"volume": 130.0160286482244,
"volume_molar": 7.829748255757999,
"formula_full": "Eu1 Nb1 Fe1 Sn1 O6",
"formula_reduced": "EuNbFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -86.89228422,
"energy_per_atom": -8.689228422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.51428422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.7482244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.391000Z",
"spacegroup": 216
},
{
"id": "mp-1174700",
"created_at": "2022-09-04T14:46:10.047457Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.123948 0.000000 0.000000\n1.644656 5.570450 0.000000\n1.654920 1.017100 7.504532\nLi Mn Co O\n7 2 3 12\ndirect\n0.493220 0.675735 0.817813 Li\n0.489425 0.505645 0.505049 Li\n0.502633 0.330487 0.176095 Li\n0.500517 0.166038 0.822370 Li\n0.495202 0.991538 0.508130 Li\n0.509907 0.830873 0.170787 Li\n0.000943 0.831134 0.666353 Li\n0.001823 0.999320 0.996809 Mn\n0.003860 0.501720 0.997145 Mn\n0.000726 0.671514 0.344820 Co\n0.003026 0.339544 0.660967 Co\n0.988067 0.162172 0.350507 Co\n0.227247 0.493696 0.766366 O\n0.240051 0.332815 0.419714 O\n0.216829 0.176612 0.080964 O\n0.222164 0.014362 0.764055 O\n0.238036 0.831640 0.401301 O\n0.224901 0.676711 0.071245 O\n0.779390 0.822629 0.928536 O\n0.760519 0.649371 0.580767 O\n0.786759 0.501411 0.237872 O\n0.778310 0.323641 0.925743 O\n0.761277 0.173451 0.571015 O\n0.775169 0.997941 0.235578 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.087441854585692,
"density_atomic": 0.11204503944189237,
"volume": 214.1995765233911,
"volume_molar": 5.374750002317719,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.59651072,
"energy_per_atom": -6.56652128,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.10251072,
"band_gap": 0.9017,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0002583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.334000Z",
"spacegroup": 1
},
{
"id": "mp-583278",
"created_at": "2022-09-04T14:46:10.064675Z",
"structure_string": "Cs6 Mo30 Se34\n1.0\n4.923452 -8.527669 0.000000\n4.923452 8.527669 0.000000\n0.000000 0.000000 21.115878\nCs Mo Se\n6 30 34\ndirect\n0.000000 0.000000 0.137591 Cs\n0.000000 0.000000 0.637591 Cs\n0.000000 0.000000 0.362409 Cs\n0.000000 0.000000 0.862409 Cs\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.250000 Cs\n0.644698 0.166644 0.034159 Mo\n0.355302 0.833356 0.534159 Mo\n0.647042 0.168045 0.250000 Mo\n0.500952 0.185458 0.357336 Mo\n0.478054 0.644698 0.534159 Mo\n0.352958 0.831955 0.750000 Mo\n0.478997 0.647042 0.750000 Mo\n0.166644 0.521946 0.534159 Mo\n0.500952 0.185458 0.142664 Mo\n0.684506 0.499048 0.357336 Mo\n0.521946 0.355302 0.034159 Mo\n0.315494 0.500952 0.642664 Mo\n0.185458 0.684506 0.857336 Mo\n0.499048 0.814542 0.642664 Mo\n0.684506 0.499048 0.142664 Mo\n0.168045 0.521003 0.750000 Mo\n0.499048 0.814542 0.857336 Mo\n0.185458 0.684506 0.642664 Mo\n0.315494 0.500952 0.857336 Mo\n0.814542 0.315494 0.357336 Mo\n0.166644 0.521946 0.965841 Mo\n0.833356 0.478054 0.034159 Mo\n0.521946 0.355302 0.465841 Mo\n0.521003 0.352958 0.250000 Mo\n0.644698 0.166644 0.465841 Mo\n0.833356 0.478054 0.465841 Mo\n0.478054 0.644698 0.965841 Mo\n0.355302 0.833356 0.965841 Mo\n0.814542 0.315494 0.142664 Mo\n0.831955 0.478997 0.250000 Mo\n0.989654 0.619073 0.141764 Se\n0.380927 0.370581 0.141764 Se\n0.658202 0.953419 0.541796 Se\n0.292708 0.339069 0.750000 Se\n0.953419 0.295217 0.458204 Se\n0.370581 0.989654 0.641764 Se\n0.380927 0.370581 0.358236 Se\n0.046581 0.704783 0.958204 Se\n0.046581 0.704783 0.541796 Se\n0.010346 0.380927 0.858236 Se\n0.707292 0.660931 0.250000 Se\n0.341798 0.046581 0.041796 Se\n0.333333 0.666667 0.061831 Se\n0.953639 0.292708 0.250000 Se\n0.333333 0.666667 0.438169 Se\n0.619073 0.629419 0.858236 Se\n0.295217 0.341798 0.541796 Se\n0.629419 0.010346 0.358236 Se\n0.704783 0.658202 0.458204 Se\n0.046361 0.707292 0.750000 Se\n0.010346 0.380927 0.641764 Se\n0.339069 0.046361 0.250000 Se\n0.629419 0.010346 0.141764 Se\n0.704783 0.658202 0.041796 Se\n0.370581 0.989654 0.858236 Se\n0.660931 0.953639 0.750000 Se\n0.341798 0.046581 0.458204 Se\n0.989654 0.619073 0.358236 Se\n0.658202 0.953419 0.958204 Se\n0.666667 0.333333 0.561831 Se\n0.666667 0.333333 0.938169 Se\n0.295217 0.341798 0.958204 Se\n0.953419 0.295217 0.041796 Se\n0.619073 0.629419 0.641764 Se\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Cs",
"Mo",
"Se"
],
"chemical_system": "Cs-Mo-Se",
"density": 5.956424645603699,
"density_atomic": 0.03947833763980426,
"volume": 1773.1243052499276,
"volume_molar": 15.254291644560386,
"formula_full": "Cs6 Mo30 Se34",
"formula_reduced": "Cs3Mo15Se17",
"formula_anonymous": "A3B15C17",
"energy": -511.82698345,
"energy_per_atom": -7.311814049285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -495.77898345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0886777,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.844000Z",
"spacegroup": 176
},
{
"id": "mp-707200",
"created_at": "2022-09-04T14:46:10.081284Z",
"structure_string": "Na16 P16 H8 O52\n1.0\n6.346882 0.000000 0.000000\n0.000000 13.611749 0.000000\n0.000000 0.000000 13.806044\nNa P H O\n16 16 8 52\ndirect\n0.659974 0.787674 0.525398 Na\n0.159974 0.712326 0.474602 Na\n0.840026 0.212326 0.025398 Na\n0.340026 0.287674 0.974602 Na\n0.859107 0.790620 0.028022 Na\n0.359107 0.709380 0.971978 Na\n0.640893 0.209380 0.528022 Na\n0.140893 0.290620 0.471978 Na\n0.881695 0.995487 0.416013 Na\n0.381695 0.504513 0.583987 Na\n0.618305 0.004513 0.916013 Na\n0.118305 0.495487 0.083987 Na\n0.602338 0.801886 0.764551 Na\n0.102338 0.698114 0.235449 Na\n0.897662 0.198114 0.264551 Na\n0.397662 0.301886 0.735449 Na\n0.388195 0.107645 0.332281 P\n0.888195 0.392355 0.667719 P\n0.111805 0.892355 0.832281 P\n0.611805 0.607645 0.167719 P\n0.402507 0.889204 0.331495 P\n0.902507 0.610796 0.668505 P\n0.097493 0.110796 0.831495 P\n0.597493 0.389204 0.168505 P\n0.368033 0.890215 0.113741 P\n0.868033 0.609785 0.886259 P\n0.131967 0.109785 0.613741 P\n0.631967 0.390215 0.386259 P\n0.344397 0.110859 0.114514 P\n0.844397 0.389141 0.885486 P\n0.155603 0.889141 0.614514 P\n0.655603 0.610859 0.385486 P\n0.747755 0.982630 0.220129 H\n0.247755 0.517370 0.779871 H\n0.752245 0.017370 0.720129 H\n0.252245 0.482630 0.279871 H\n0.990601 0.971186 0.211334 H\n0.490601 0.528814 0.788666 H\n0.509399 0.028814 0.711334 H\n0.009399 0.471186 0.288666 H\n0.586805 0.114110 0.390468 O\n0.086805 0.385890 0.609532 O\n0.913195 0.885890 0.890468 O\n0.413195 0.614110 0.109532 O\n0.208810 0.176502 0.350338 O\n0.708810 0.323498 0.649662 O\n0.291190 0.823498 0.850338 O\n0.791190 0.676502 0.149662 O\n0.596345 0.886762 0.392698 O\n0.096345 0.613238 0.607302 O\n0.903655 0.113238 0.892698 O\n0.403655 0.386762 0.107302 O\n0.230884 0.815217 0.343129 O\n0.730884 0.684783 0.656871 O\n0.269116 0.184783 0.843129 O\n0.769116 0.315217 0.156871 O\n0.187296 0.818856 0.111570 O\n0.687296 0.681144 0.888430 O\n0.312704 0.181144 0.611570 O\n0.812704 0.318856 0.388430 O\n0.541316 0.881589 0.040376 O\n0.041316 0.618411 0.959624 O\n0.958684 0.118411 0.540376 O\n0.458684 0.381589 0.459624 O\n0.154091 0.175638 0.112681 O\n0.654091 0.324362 0.887319 O\n0.345909 0.824362 0.612681 O\n0.845909 0.675638 0.387319 O\n0.514375 0.124546 0.040137 O\n0.014375 0.375454 0.959863 O\n0.985625 0.875454 0.540137 O\n0.485625 0.624546 0.459863 O\n0.487208 0.890092 0.218677 O\n0.987208 0.609908 0.781323 O\n0.012792 0.109908 0.718677 O\n0.512792 0.390092 0.281323 O\n0.464225 0.113225 0.219264 O\n0.964225 0.386775 0.780736 O\n0.035775 0.886775 0.719264 O\n0.535775 0.613225 0.280736 O\n0.256582 0.997698 0.111440 O\n0.756582 0.502302 0.888560 O\n0.243418 0.002302 0.611440 O\n0.743418 0.497698 0.388560 O\n0.286759 0.996901 0.338989 O\n0.786759 0.503099 0.661011 O\n0.213241 0.003099 0.838989 O\n0.713241 0.496901 0.161011 O\n0.880774 0.013259 0.238520 O\n0.380774 0.486741 0.761480 O\n0.619226 0.986741 0.738520 O\n0.119226 0.513259 0.261480 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 2.3715625190018113,
"density_atomic": 0.0771337095209107,
"volume": 1192.7340273328757,
"volume_molar": 7.807404567217679,
"formula_full": "Na16 P16 H8 O52",
"formula_reduced": "Na4P4H2O13",
"formula_anonymous": "A2B4C4D13",
"energy": -617.56694628,
"energy_per_atom": -6.712684198695652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -581.84294628,
"band_gap": 5.1224,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.575000Z",
"spacegroup": 19
},
{
"id": "mp-1183357",
"created_at": "2022-09-04T14:46:10.084065Z",
"structure_string": "Ba6 Sm2\n1.0\n4.243047 -7.349174 0.000000\n4.243047 7.349174 0.000000\n0.000000 0.000000 6.748451\nBa Sm\n6 2\ndirect\n0.827379 0.172621 0.750000 Ba\n0.345242 0.172621 0.750000 Ba\n0.827379 0.654758 0.750000 Ba\n0.172621 0.827379 0.250000 Ba\n0.654758 0.827379 0.250000 Ba\n0.172621 0.345242 0.250000 Ba\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.750000 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Sm"
],
"chemical_system": "Ba-Sm",
"density": 4.437397916346113,
"density_atomic": 0.01900813554025174,
"volume": 420.87241976253546,
"volume_molar": 31.68191192264743,
"formula_full": "Ba6 Sm2",
"formula_reduced": "Ba3Sm",
"formula_anonymous": "AB3",
"energy": -19.37309448,
"energy_per_atom": -2.42163681,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.37309448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0753392,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.017000Z",
"spacegroup": 194
},
{
"id": "mp-1179718",
"created_at": "2022-09-04T14:46:10.089606Z",
"structure_string": "Rb2 Sb6 S10 O2\n1.0\n6.896559 0.000000 0.000000\n-0.570111 8.915568 0.000000\n-1.814192 -3.116588 10.103272\nRb Sb S O\n2 6 10 2\ndirect\n0.180348 0.154939 0.175574 Rb\n0.819652 0.845061 0.824426 Rb\n0.329937 0.685271 0.440418 Sb\n0.670063 0.314729 0.559582 Sb\n0.695618 0.540501 0.140901 Sb\n0.304382 0.459499 0.859099 Sb\n0.717888 0.963334 0.385981 Sb\n0.282112 0.036666 0.614019 Sb\n0.350932 0.906249 0.338814 S\n0.649068 0.093751 0.661186 S\n0.332304 0.505836 0.110971 S\n0.667696 0.494164 0.889029 S\n0.673387 0.651304 0.443096 S\n0.326613 0.348696 0.556904 S\n0.741935 0.840236 0.153909 S\n0.258065 0.159764 0.846091 S\n0.621183 0.212924 0.066080 S\n0.378817 0.787076 0.933920 S\n0.197802 0.863133 0.976337 O\n0.802198 0.136867 0.023663 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"S",
"O"
],
"chemical_system": "O-Rb-S-Sb",
"density": 3.352379087573948,
"density_atomic": 0.03219485531845838,
"volume": 621.2172659938415,
"volume_molar": 18.705289091786373,
"formula_full": "Rb2 Sb6 S10 O2",
"formula_reduced": "RbSb3S5O",
"formula_anonymous": "ABC3D5",
"energy": -85.69656125,
"energy_per_atom": -4.2848280625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.32256125,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9160254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.926000Z",
"spacegroup": 2
},
{
"id": "mp-1234073",
"created_at": "2022-09-04T14:46:10.145616Z",
"structure_string": "Cs2 Tm2 Mg1 W4 O16\n1.0\n4.495096 5.579915 -3.670990\n4.311799 -5.309715 -3.484775\n0.176727 0.133589 -7.628519\nCs Tm Mg W O\n2 2 1 4 16\ndirect\n0.891956 0.126247 0.754016 Cs\n0.189413 0.793711 0.249909 Cs\n0.206006 0.760863 0.754515 Tm\n0.790007 0.237600 0.237696 Tm\n0.626696 0.361965 0.743186 Mg\n0.296101 0.312281 0.695476 W\n0.692724 0.699512 0.299354 W\n0.679339 0.712577 0.805108 W\n0.303703 0.303150 0.201057 W\n0.358081 0.235737 0.951042 O\n0.611851 0.740552 0.066157 O\n0.750703 0.639953 0.556301 O\n0.273851 0.386473 0.411969 O\n0.678004 0.966129 0.614470 O\n0.301129 0.046180 0.393823 O\n0.055469 0.364565 0.876121 O\n0.934389 0.672556 0.104767 O\n0.402670 0.623395 0.546280 O\n0.609152 0.367345 0.478857 O\n0.383635 0.606570 0.940642 O\n0.616806 0.386641 0.013888 O\n0.251967 0.042547 0.770667 O\n0.726601 0.975915 0.224091 O\n0.938190 0.743881 0.723750 O\n0.048222 0.276988 0.274358 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Cs",
"Tm",
"Mg",
"W",
"O"
],
"chemical_system": "Cs-Mg-O-Tm-W",
"density": 7.496216748636966,
"density_atomic": 0.06969416480094179,
"volume": 358.71008816023823,
"volume_molar": 8.640810571731857,
"formula_full": "Cs2 Tm2 Mg1 W4 O16",
"formula_reduced": "Cs2Tm2Mg(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -206.86102215000005,
"energy_per_atom": -8.274440886000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.11702215,
"band_gap": 2.1167,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.902000Z",
"spacegroup": 1
},
{
"id": "mp-776004",
"created_at": "2022-09-04T14:46:10.051048Z",
"structure_string": "Li8 Co2 O8\n1.0\n6.407227 0.000000 0.000000\n0.000000 4.857564 0.000000\n0.000000 0.083572 6.411272\nLi Co O\n8 2 8\ndirect\n0.756770 0.756255 0.571504 Li\n0.243230 0.756255 0.571504 Li\n0.305819 0.244480 0.478304 Li\n0.694181 0.244480 0.478304 Li\n0.000000 0.308832 0.265105 Li\n0.000000 0.790012 0.195252 Li\n0.292278 0.270525 0.005823 Li\n0.707722 0.270525 0.005823 Li\n0.000000 0.235926 0.746841 Co\n0.500000 0.742189 0.238771 Co\n0.500000 0.985441 0.037057 O\n0.234780 0.428166 0.730767 O\n0.765220 0.428166 0.730767 O\n0.500000 0.944796 0.478854 O\n0.000000 0.024555 0.503441 O\n0.741868 0.532623 0.259614 O\n0.258132 0.532623 0.259614 O\n0.000000 0.101208 0.010677 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 2.50809799368407,
"density_atomic": 0.09020687971839272,
"volume": 199.54132163968302,
"volume_molar": 6.675921813058918,
"formula_full": "Li8 Co2 O8",
"formula_reduced": "Li4CoO4",
"formula_anonymous": "AB4C4",
"energy": -101.08907248,
"energy_per_atom": -5.616059582222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.31707248,
"band_gap": 0.88,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.003017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.813000Z",
"spacegroup": 6
},
{
"id": "mp-1224967",
"created_at": "2022-09-04T14:46:10.058394Z",
"structure_string": "Fe1 Ir1\n1.0\n4.258861 -1.319099 0.000000\n4.258861 1.319099 0.000000\n3.850296 0.000000 2.247919\nFe Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Ir"
],
"chemical_system": "Fe-Ir",
"density": 16.309018583796455,
"density_atomic": 0.07918601446656011,
"volume": 25.25698525772617,
"volume_molar": 7.605056019763595,
"formula_full": "Fe1 Ir1",
"formula_reduced": "FeIr",
"formula_anonymous": "AB",
"energy": -17.27884764,
"energy_per_atom": -8.63942382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.27884764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3043145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.240000Z",
"spacegroup": 166
}
]
}