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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=10165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=10163",
"results": [
{
"id": "mp-1371485",
"created_at": "2022-09-04T14:42:50.756709Z",
"structure_string": "Sr4 Ga2 Fe4 O14\n1.0\n-2.627075 2.671620 12.273944\n2.627075 -2.671620 12.273944\n2.627075 2.671620 -12.273944\nSr Ga Fe O\n4 2 4 14\ndirect\n0.856253 0.855618 0.015680 Sr\n0.143747 0.159427 0.999365 Sr\n0.339938 0.355618 0.999365 Sr\n0.660062 0.659427 0.015680 Sr\n0.323490 0.701746 0.525237 Ga\n0.676510 0.201746 0.378256 Ga\n0.061458 0.564870 0.509018 Fe\n0.444149 0.947560 0.509018 Fe\n0.555851 0.064870 0.503412 Fe\n0.938542 0.447560 0.503412 Fe\n0.181283 0.686176 0.005865 O\n0.345923 0.337921 0.183844 O\n0.180312 0.186176 0.504894 O\n0.706397 0.200530 0.550237 O\n0.323186 0.828269 0.006907 O\n0.321362 0.328269 0.505083 O\n0.654077 0.837921 0.991998 O\n0.819688 0.324582 0.005865 O\n0.818717 0.824582 0.504894 O\n0.150293 0.700530 0.494133 O\n0.293603 0.843840 0.494133 O\n0.849707 0.343840 0.550237 O\n0.676814 0.683721 0.505083 O\n0.678638 0.183721 0.006907 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Fe",
"O"
],
"chemical_system": "Fe-Ga-O-Sr",
"density": 4.5168463367467,
"density_atomic": 0.06964981309819832,
"volume": 344.58096773587505,
"volume_molar": 8.646312878843576,
"formula_full": "Sr4 Ga2 Fe4 O14",
"formula_reduced": "Sr2GaFe2O7",
"formula_anonymous": "AB2C2D7",
"energy": -165.2934823,
"energy_per_atom": -6.887228429166666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -146.6514823,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.9204778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.902000Z",
"spacegroup": 46
},
{
"id": "mp-867219",
"created_at": "2022-09-04T14:45:26.465438Z",
"structure_string": "Sr4 Ga2 Ge2 N2\n1.0\n4.102690 0.000000 0.000000\n0.000000 6.961825 0.000000\n0.000000 2.807861 8.356474\nSr Ga Ge N\n4 2 2 2\ndirect\n0.750000 0.701865 0.034036 Sr\n0.250000 0.314578 0.378223 Sr\n0.750000 0.685422 0.621777 Sr\n0.250000 0.298135 0.965964 Sr\n0.750000 0.036702 0.247698 Ga\n0.250000 0.963298 0.752302 Ga\n0.250000 0.823042 0.299662 Ge\n0.750000 0.176958 0.700338 Ge\n0.750000 0.323591 0.170890 N\n0.250000 0.676409 0.829110 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Ge",
"N"
],
"chemical_system": "Ga-Ge-N-Sr",
"density": 4.614147224833469,
"density_atomic": 0.04189721242308824,
"volume": 238.6793636535426,
"volume_molar": 14.373607244288616,
"formula_full": "Sr4 Ga2 Ge2 N2",
"formula_reduced": "Sr2GaGeN",
"formula_anonymous": "ABCD2",
"energy": -46.05878938,
"energy_per_atom": -4.605878938,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.33678938,
"band_gap": 0.0402999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.237000Z",
"spacegroup": 11
},
{
"id": "mp-1046487",
"created_at": "2022-09-04T14:46:01.489517Z",
"structure_string": "Sr4 Ga2 Mo4 O14\n1.0\n2.789901 11.580156 0.000000\n-2.789901 11.580156 0.000000\n0.000000 1.419443 5.564668\nSr Ga Mo O\n4 2 4 14\ndirect\n0.154669 0.147011 0.326725 Sr\n0.852989 0.845331 0.673275 Sr\n0.652867 0.648359 0.867897 Sr\n0.351641 0.347133 0.132103 Sr\n0.287549 0.208243 0.677612 Ga\n0.791757 0.712451 0.322388 Ga\n0.437287 0.438599 0.562224 Mo\n0.068431 0.070670 0.926961 Mo\n0.929330 0.931569 0.073039 Mo\n0.561401 0.562713 0.437776 Mo\n0.326967 0.808923 0.190584 O\n0.628141 0.872445 0.616190 O\n0.821332 0.326639 0.180596 O\n0.813822 0.844331 0.132437 O\n0.169449 0.665708 0.336591 O\n0.663094 0.186228 0.337449 O\n0.127555 0.371859 0.383810 O\n0.673361 0.178668 0.819404 O\n0.191077 0.673033 0.809416 O\n0.287060 0.349855 0.748728 O\n0.155669 0.186178 0.867563 O\n0.650145 0.712940 0.251272 O\n0.334292 0.830551 0.663409 O\n0.813772 0.336906 0.662551 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Mo",
"O"
],
"chemical_system": "Ga-Mo-O-Sr",
"density": 5.069340260145902,
"density_atomic": 0.06674808111412726,
"volume": 359.5608982221421,
"volume_molar": 9.022193087024055,
"formula_full": "Sr4 Ga2 Mo4 O14",
"formula_reduced": "Sr2GaMo2O7",
"formula_anonymous": "AB2C2D7",
"energy": -180.39660129,
"energy_per_atom": -7.516525053750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.97060129,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0012269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.687000Z",
"spacegroup": 5
},
{
"id": "mp-1043888",
"created_at": "2022-09-04T14:43:10.927842Z",
"structure_string": "Sr4 Ga2 Ni4 O14\n1.0\n12.503501 3.700426 0.000000\n-12.503501 3.700426 0.000000\n0.000000 3.409676 3.710609\nSr Ga Ni O\n4 2 4 14\ndirect\n0.832177 0.639841 0.022272 Sr\n0.168063 0.359972 0.992263 Sr\n0.359972 0.168063 0.992263 Sr\n0.639841 0.832177 0.022272 Sr\n0.182084 0.182084 0.523727 Ga\n0.818378 0.818378 0.386070 Ga\n0.064775 0.429880 0.509987 Ni\n0.429880 0.064775 0.509987 Ni\n0.564278 0.938680 0.507114 Ni\n0.938680 0.564278 0.507114 Ni\n0.670914 0.310714 0.032486 O\n0.148408 0.148408 0.178594 O\n0.676660 0.319244 0.511205 O\n0.644458 0.784559 0.552841 O\n0.834524 0.185067 0.984868 O\n0.831275 0.175960 0.502758 O\n0.851291 0.851291 0.975444 O\n0.310714 0.670914 0.032486 O\n0.319244 0.676660 0.511205 O\n0.218263 0.356576 0.480890 O\n0.356576 0.218263 0.480890 O\n0.784559 0.644458 0.552841 O\n0.175960 0.831275 0.502758 O\n0.185067 0.834524 0.984868 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Ni",
"O"
],
"chemical_system": "Ga-Ni-O-Sr",
"density": 4.587915636186729,
"density_atomic": 0.06989606000098524,
"volume": 343.3669937856541,
"volume_molar": 8.615851537146892,
"formula_full": "Sr4 Ga2 Ni4 O14",
"formula_reduced": "Sr2GaNi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -147.47180681,
"energy_per_atom": -6.1446586170833335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.68980681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.6362832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.341000Z",
"spacegroup": 8
},
{
"id": "mp-1048045",
"created_at": "2022-09-04T14:43:40.774791Z",
"structure_string": "Sr4 Ga2 Sb4 O14\n1.0\n2.928674 11.120083 0.000000\n-2.928674 11.120083 0.000000\n0.000000 1.598956 5.830276\nSr Ga Sb O\n4 2 4 14\ndirect\n0.847521 0.850491 0.625523 Sr\n0.149509 0.152479 0.374477 Sr\n0.345419 0.352593 0.176584 Sr\n0.647407 0.654581 0.823416 Sr\n0.710514 0.789969 0.162401 Ga\n0.210031 0.289486 0.837599 Ga\n0.572830 0.572436 0.420887 Sb\n0.929429 0.925561 0.071794 Sb\n0.074439 0.070571 0.928206 Sb\n0.427564 0.427170 0.579113 Sb\n0.675528 0.167357 0.318358 O\n0.390017 0.109887 0.098849 O\n0.167017 0.677934 0.327429 O\n0.194105 0.155867 0.766177 O\n0.852519 0.333265 0.146947 O\n0.337662 0.846696 0.150146 O\n0.890113 0.609983 0.901151 O\n0.322066 0.832983 0.672571 O\n0.832643 0.324472 0.681642 O\n0.689670 0.659707 0.381335 O\n0.844133 0.805895 0.233823 O\n0.340293 0.310330 0.618665 O\n0.666735 0.147481 0.853053 O\n0.153304 0.662338 0.849854 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Sb",
"O"
],
"chemical_system": "Ga-O-Sb-Sr",
"density": 5.251442345156345,
"density_atomic": 0.06319941687830094,
"volume": 379.7503392509975,
"volume_molar": 9.528791652613583,
"formula_full": "Sr4 Ga2 Sb4 O14",
"formula_reduced": "Sr2GaSb2O7",
"formula_anonymous": "AB2C2D7",
"energy": -155.05475221999998,
"energy_per_atom": -6.460614675833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -145.43675222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.648000Z",
"spacegroup": 5
},
{
"id": "mp-1048064",
"created_at": "2022-09-04T14:45:58.486032Z",
"structure_string": "Sr4 Ga2 Sn4 O14\n1.0\n2.849879 11.828327 0.000000\n-2.849879 11.828327 0.000000\n0.000000 1.393948 5.689480\nSr Ga Sn O\n4 2 4 14\ndirect\n0.853807 0.839132 0.672796 Sr\n0.160868 0.146193 0.327204 Sr\n0.344309 0.346939 0.125348 Sr\n0.653061 0.655691 0.874652 Sr\n0.789389 0.707768 0.333872 Ga\n0.292232 0.210611 0.666128 Ga\n0.559625 0.566643 0.438273 Sn\n0.911234 0.916794 0.092032 Sn\n0.083206 0.088766 0.907968 Sn\n0.433357 0.440375 0.561727 Sn\n0.168453 0.672291 0.838256 O\n0.120988 0.378661 0.389025 O\n0.671952 0.166524 0.833192 O\n0.161198 0.194609 0.870657 O\n0.339283 0.844104 0.656636 O\n0.836006 0.347691 0.656398 O\n0.621339 0.879012 0.610975 O\n0.833476 0.328048 0.166808 O\n0.327709 0.831547 0.161744 O\n0.653611 0.704535 0.263373 O\n0.805391 0.838802 0.129343 O\n0.295465 0.346389 0.736627 O\n0.155896 0.660717 0.343364 O\n0.652309 0.163994 0.343602 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Sn",
"O"
],
"chemical_system": "Ga-O-Sn-Sr",
"density": 5.146240635603109,
"density_atomic": 0.06256895872425548,
"volume": 383.5767845485362,
"volume_molar": 9.624805786747824,
"formula_full": "Sr4 Ga2 Sn4 O14",
"formula_reduced": "Sr2GaSn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -155.04691771,
"energy_per_atom": -6.460288237916667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -145.42891771,
"band_gap": 0.4140000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.757000Z",
"spacegroup": 5
},
{
"id": "mp-1046767",
"created_at": "2022-09-04T14:47:26.240217Z",
"structure_string": "Sr4 Ga2 W4 O14\n1.0\n-5.562334 0.000000 0.000000\n-0.001531 -5.713199 0.000000\n2.777891 2.843127 11.399793\nSr Ga W O\n4 2 4 14\ndirect\n0.844733 0.826523 0.694857 Sr\n0.151542 0.174302 0.305261 Sr\n0.346319 0.368772 0.694771 Sr\n0.650430 0.631835 0.304855 Sr\n0.708852 0.174682 0.500168 Ga\n0.210885 0.823844 0.499660 Ga\n0.568955 0.063067 0.128399 W\n0.938072 0.434533 0.871079 W\n0.065601 0.564090 0.124777 W\n0.441304 0.939581 0.875518 W\n0.673026 0.687975 0.861478 O\n0.368085 0.122262 0.499502 O\n0.176527 0.678622 0.851343 O\n0.200341 0.626474 0.354162 O\n0.836426 0.832581 0.159976 O\n0.322108 0.812539 0.148066 O\n0.868870 0.880165 0.500282 O\n0.323846 0.319981 0.148347 O\n0.827747 0.331825 0.138677 O\n0.696501 0.221463 0.350945 O\n0.843844 0.368600 0.649884 O\n0.348066 0.768734 0.644229 O\n0.673054 0.170485 0.839949 O\n0.188228 0.167274 0.850427 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ga",
"W",
"O"
],
"chemical_system": "Ga-O-Sr-W",
"density": 6.64304657152703,
"density_atomic": 0.06624877642675966,
"volume": 362.2708417344558,
"volume_molar": 9.090191675702398,
"formula_full": "Sr4 Ga2 W4 O14",
"formula_reduced": "Sr2GaW2O7",
"formula_anonymous": "AB2C2D7",
"energy": -189.05156106,
"energy_per_atom": -7.8771483775,
"energy_above_hull": null,
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"energy_uncorrected": -161.68156106,
"band_gap": 0.8884000000000003,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.071000Z",
"spacegroup": 1
},
{
"id": "mp-1102705",
"created_at": "2022-09-04T14:41:50.342032Z",
"structure_string": "Sr4 Ga4 Ge4\n1.0\n2.162079 -3.744831 0.000000\n2.162079 3.744831 0.000000\n0.000000 0.000000 19.134541\nSr Ga Ge\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.354242 Ga\n0.666667 0.333333 0.645758 Ga\n0.666667 0.333333 0.854242 Ga\n0.333333 0.666667 0.145758 Ga\n0.333333 0.666667 0.887520 Ge\n0.666667 0.333333 0.112480 Ge\n0.666667 0.333333 0.387520 Ge\n0.333333 0.666667 0.612480 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Sr",
"density": 4.930068996738305,
"density_atomic": 0.038728387922320515,
"volume": 309.85023244626154,
"volume_molar": 15.549680952584218,
"formula_full": "Sr4 Ga4 Ge4",
"formula_reduced": "SrGaGe",
"formula_anonymous": "ABC",
"energy": -43.84297265,
"energy_per_atom": -3.6535810541666667,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0001609,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.318000Z",
"spacegroup": 194
},
{
"id": "mp-510719",
"created_at": "2022-09-04T14:40:53.400438Z",
"structure_string": "Sr4 Ga4 H16\n1.0\n4.735601 0.000000 0.000000\n0.000000 7.460798 0.000000\n0.000000 0.000000 8.786544\nSr Ga H\n4 4 16\ndirect\n0.750000 0.248581 0.004704 Sr\n0.250000 0.751419 0.995296 Sr\n0.250000 0.748581 0.495296 Sr\n0.750000 0.251419 0.504704 Sr\n0.750000 0.604197 0.242607 Ga\n0.250000 0.395803 0.757393 Ga\n0.250000 0.104197 0.257393 Ga\n0.750000 0.895803 0.742607 Ga\n0.485789 0.751543 0.743906 H\n0.985789 0.248457 0.256094 H\n0.985789 0.251543 0.756094 H\n0.485789 0.748457 0.243906 H\n0.750000 0.578452 0.038996 H\n0.250000 0.421548 0.961004 H\n0.250000 0.078452 0.461004 H\n0.750000 0.921548 0.538996 H\n0.750000 0.919948 0.946101 H\n0.250000 0.080052 0.053899 H\n0.250000 0.419948 0.553899 H\n0.750000 0.580052 0.446101 H\n0.514211 0.251543 0.756094 H\n0.014211 0.748457 0.243906 H\n0.014211 0.751543 0.743906 H\n0.514211 0.248457 0.256094 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"H"
],
"chemical_system": "Ga-H-Sr",
"density": 3.452758671972108,
"density_atomic": 0.07730948287122093,
"volume": 310.44057091907143,
"volume_molar": 7.7896533987058785,
"formula_full": "Sr4 Ga4 H16",
"formula_reduced": "SrGaH4",
"formula_anonymous": "ABC4",
"energy": -79.46809987,
"energy_per_atom": -3.311170827916667,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:00.217000Z",
"spacegroup": 62
},
{
"id": "mp-1192424",
"created_at": "2022-09-04T14:43:36.748656Z",
"structure_string": "Sr4 Ga4 H20\n1.0\n4.723490 0.000000 0.000000\n0.000000 8.706211 0.000000\n0.000000 0.000000 8.868152\nSr Ga H\n4 4 20\ndirect\n0.750000 0.493766 0.318304 Sr\n0.250000 0.506234 0.681696 Sr\n0.250000 0.006234 0.818304 Sr\n0.750000 0.993766 0.181696 Sr\n0.750000 0.333476 0.915376 Ga\n0.250000 0.666524 0.084624 Ga\n0.250000 0.166524 0.415376 Ga\n0.750000 0.833476 0.584624 Ga\n0.024936 0.773841 0.670802 H\n0.524936 0.226159 0.329198 H\n0.524936 0.726159 0.170802 H\n0.024936 0.273841 0.829198 H\n0.750000 0.516363 0.901971 H\n0.250000 0.483637 0.098029 H\n0.250000 0.983637 0.401971 H\n0.750000 0.016363 0.598029 H\n0.750000 0.481519 0.587260 H\n0.250000 0.518481 0.412740 H\n0.250000 0.018481 0.087260 H\n0.750000 0.981519 0.912740 H\n0.975064 0.726159 0.170802 H\n0.475064 0.273841 0.829198 H\n0.475064 0.773841 0.670802 H\n0.975064 0.226159 0.329198 H\n0.750000 0.282724 0.088915 H\n0.250000 0.717276 0.911085 H\n0.250000 0.217276 0.588915 H\n0.750000 0.782724 0.411085 H\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Ga-H-Sr",
"density": 2.957491670934834,
"density_atomic": 0.07677727862350145,
"volume": 364.6912276912772,
"volume_molar": 7.843649668193148,
"formula_full": "Sr4 Ga4 H20",
"formula_reduced": "SrGaH5",
"formula_anonymous": "ABC5",
"energy": -96.26320697,
"energy_per_atom": -3.4379716774999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -92.68320697,
"band_gap": 3.3941000000000003,
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"updated_at": "2021-11-28T01:36:18.714000Z",
"spacegroup": 62
},
{
"id": "mp-8914",
"created_at": "2022-09-04T14:41:56.221994Z",
"structure_string": "Sr4 Ga4 Sn4\n1.0\n2.316614 -4.012494 0.000000\n2.316614 4.012494 0.000000\n0.000000 0.000000 18.797509\nSr Ga Sn\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.750000 Sr\n0.666667 0.333333 0.838453 Ga\n0.333333 0.666667 0.338453 Ga\n0.666667 0.333333 0.661547 Ga\n0.333333 0.666667 0.161547 Ga\n0.333333 0.666667 0.616047 Sn\n0.666667 0.333333 0.116047 Sn\n0.666667 0.333333 0.383953 Sn\n0.333333 0.666667 0.883953 Sn\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-Sn-Sr",
"density": 5.24690487101312,
"density_atomic": 0.0343386230526277,
"volume": 349.460721870201,
"volume_molar": 17.53751380994634,
"formula_full": "Sr4 Ga4 Sn4",
"formula_reduced": "SrGaSn",
"formula_anonymous": "ABC",
"energy": -41.37104476,
"energy_per_atom": -3.447587063333333,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.205000Z",
"spacegroup": 194
},
{
"id": "mp-1191197",
"created_at": "2022-09-04T14:45:34.595907Z",
"structure_string": "Sr4 Ga6 Au12\n1.0\n7.852305 -4.281552 0.000000\n7.852305 4.281552 0.000000\n5.517744 0.000000 7.038813\nSr Ga Au\n4 6 12\ndirect\n0.410324 0.410324 0.410324 Sr\n0.910324 0.910324 0.910324 Sr\n0.589676 0.589676 0.589676 Sr\n0.089676 0.089676 0.089676 Sr\n0.053450 0.250000 0.446550 Ga\n0.446550 0.053450 0.250000 Ga\n0.250000 0.446550 0.053450 Ga\n0.946550 0.750000 0.553450 Ga\n0.553450 0.946550 0.750000 Ga\n0.750000 0.553450 0.946550 Ga\n0.975088 0.365541 0.705095 Au\n0.705095 0.975088 0.365541 Au\n0.365541 0.705095 0.975088 Au\n0.205095 0.865541 0.475088 Au\n0.475088 0.205095 0.865541 Au\n0.865541 0.475088 0.205095 Au\n0.024912 0.634459 0.294905 Au\n0.294905 0.024912 0.634459 Au\n0.634459 0.294905 0.024912 Au\n0.794905 0.134459 0.524912 Au\n0.524912 0.794905 0.134459 Au\n0.134459 0.524912 0.794905 Au\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Ga",
"Au"
],
"chemical_system": "Au-Ga-Sr",
"density": 10.990079641968695,
"density_atomic": 0.046483077602377985,
"volume": 473.2905206533597,
"volume_molar": 12.955555162491907,
"formula_full": "Sr4 Ga6 Au12",
"formula_reduced": "Sr2(GaAu2)3",
"formula_anonymous": "A2B3C6",
"energy": -76.53792522,
"energy_per_atom": -3.4789966009090914,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -76.53792522,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 7.67e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.231000Z",
"spacegroup": 167
}
]
}