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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10398",
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"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,
"decomposes_to": null,
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"energy_uncorrected": -146.6514823,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.902000Z",
"spacegroup": 46
},
{
"id": "mp-978847",
"created_at": "2022-09-04T14:44:01.691835Z",
"structure_string": "Sr1 Ga1 Ge1 H1\n1.0\n2.132370 -3.693373 0.000000\n2.132370 3.693373 0.000000\n0.000000 0.000000 4.964212\nSr Ga Ge H\n1 1 1 1\ndirect\n0.333333 0.666667 0.998003 Sr\n0.666667 0.333333 0.557207 Ga\n0.000000 0.000000 0.436186 Ge\n0.666667 0.333333 0.914207 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Ge",
"H"
],
"chemical_system": "Ga-Ge-H-Sr",
"density": 4.905440293352701,
"density_atomic": 0.05115568939033623,
"volume": 78.19267119007169,
"volume_molar": 11.772181807675214,
"formula_full": "Sr1 Ga1 Ge1 H1",
"formula_reduced": "SrGaGeH",
"formula_anonymous": "ABCD",
"energy": -14.81660425,
"energy_per_atom": -3.7041510625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.63760425,
"band_gap": 0.2957999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.912000Z",
"spacegroup": 156
},
{
"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,
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"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-540621",
"created_at": "2022-09-04T14:40:30.005834Z",
"structure_string": "Sr4 Ga8 Ge8 O32\n1.0\n9.792405 0.000000 0.000000\n0.000000 8.698325 0.000000\n0.000000 0.077112 9.325166\nSr Ga Ge O\n4 8 8 32\ndirect\n0.412853 0.749510 0.885412 Sr\n0.912853 0.250490 0.614588 Sr\n0.587147 0.250490 0.114588 Sr\n0.087147 0.749510 0.385412 Sr\n0.924162 0.067350 0.235065 Ga\n0.424162 0.932650 0.264935 Ga\n0.075838 0.932650 0.764935 Ga\n0.575838 0.067350 0.735065 Ga\n0.193928 0.431109 0.053564 Ga\n0.693928 0.568891 0.446436 Ga\n0.806072 0.568891 0.946436 Ga\n0.306072 0.431109 0.553564 Ga\n0.920264 0.438128 0.241966 Ge\n0.420264 0.561872 0.258034 Ge\n0.079736 0.561872 0.758034 Ge\n0.579736 0.438128 0.741966 Ge\n0.199357 0.060007 0.056931 Ge\n0.699357 0.939993 0.443069 Ge\n0.800643 0.939993 0.943069 Ge\n0.300643 0.060007 0.556931 Ge\n0.091971 0.980662 0.193593 O\n0.591971 0.019338 0.306407 O\n0.908029 0.019338 0.806407 O\n0.408029 0.980662 0.693593 O\n0.079004 0.517336 0.191049 O\n0.579004 0.482664 0.308951 O\n0.920996 0.482664 0.808951 O\n0.420996 0.517336 0.691049 O\n0.371805 0.066265 0.116296 O\n0.871805 0.933735 0.383704 O\n0.628195 0.933735 0.883704 O\n0.128195 0.066265 0.616296 O\n0.373889 0.433678 0.118445 O\n0.873889 0.566322 0.381555 O\n0.626111 0.566322 0.881555 O\n0.126111 0.433678 0.618445 O\n0.199048 0.925433 0.914737 O\n0.699048 0.074567 0.585263 O\n0.800952 0.074567 0.085263 O\n0.300952 0.925433 0.414737 O\n0.198149 0.570134 0.900246 O\n0.698149 0.429866 0.599754 O\n0.801851 0.429866 0.099754 O\n0.301851 0.570134 0.400246 O\n0.135959 0.239128 0.001413 O\n0.635959 0.760872 0.498587 O\n0.864041 0.760872 0.998587 O\n0.364041 0.239128 0.501413 O\n0.925010 0.255465 0.329407 O\n0.425010 0.744535 0.170593 O\n0.074990 0.744535 0.670593 O\n0.574990 0.255465 0.829407 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Ge",
"O"
],
"chemical_system": "Ga-Ge-O-Sr",
"density": 4.184020326091411,
"density_atomic": 0.06546689971097792,
"volume": 794.294524860176,
"volume_molar": 9.198756603087114,
"formula_full": "Sr4 Ga8 Ge8 O32",
"formula_reduced": "SrGa2(GeO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -353.90411437999995,
"energy_per_atom": -6.8058483534615375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -331.92011438,
"band_gap": 3.0761,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0032747,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.369000Z",
"spacegroup": 14
},
{
"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,
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"formation_energy": null,
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"energy_uncorrected": -157.97060129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0012269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.687000Z",
"spacegroup": 5
},
{
"id": "mp-555721",
"created_at": "2022-09-04T14:48:22.769553Z",
"structure_string": "Sr32 Ga8 N24 O8\n1.0\n7.420174 0.000000 0.000000\n0.000000 7.443763 0.000000\n0.000000 0.000000 23.862214\nSr Ga N O\n32 8 24 8\ndirect\n0.260197 0.539775 0.754229 Sr\n0.857541 0.967462 0.938429 Sr\n0.159540 0.863766 0.438780 Sr\n0.260197 0.960225 0.254229 Sr\n0.642459 0.032538 0.438429 Sr\n0.340460 0.136234 0.938780 Sr\n0.239803 0.460225 0.254229 Sr\n0.991186 0.295973 0.854631 Sr\n0.008814 0.704027 0.145369 Sr\n0.340460 0.363766 0.438780 Sr\n0.008814 0.795973 0.645369 Sr\n0.760197 0.539775 0.745771 Sr\n0.991186 0.204027 0.354631 Sr\n0.491186 0.295973 0.645369 Sr\n0.239803 0.039775 0.754229 Sr\n0.142459 0.467462 0.561571 Sr\n0.159540 0.636234 0.938780 Sr\n0.642459 0.467462 0.938429 Sr\n0.739803 0.460225 0.245771 Sr\n0.508814 0.704027 0.354631 Sr\n0.659540 0.863766 0.061220 Sr\n0.508814 0.795973 0.854631 Sr\n0.357541 0.967462 0.561571 Sr\n0.659540 0.636234 0.561220 Sr\n0.857541 0.532538 0.438429 Sr\n0.357541 0.532538 0.061571 Sr\n0.491186 0.204027 0.145369 Sr\n0.840460 0.136234 0.561220 Sr\n0.739803 0.039775 0.745771 Sr\n0.840460 0.363766 0.061220 Sr\n0.142459 0.032538 0.061571 Sr\n0.760197 0.960225 0.245771 Sr\n0.505095 0.287795 0.828572 Ga\n0.494905 0.712205 0.171428 Ga\n0.505095 0.212205 0.328572 Ga\n0.494905 0.787795 0.671428 Ga\n0.005095 0.212205 0.171428 Ga\n0.994905 0.712205 0.328572 Ga\n0.994905 0.787795 0.828572 Ga\n0.005095 0.287795 0.671428 Ga\n0.153336 0.935652 0.873079 N\n0.001741 0.207723 0.250856 N\n0.846219 0.630509 0.872060 N\n0.653781 0.369491 0.372060 N\n0.498259 0.707723 0.250856 N\n0.998259 0.792277 0.749144 N\n0.153781 0.130509 0.627940 N\n0.501741 0.292277 0.749144 N\n0.501741 0.207723 0.249144 N\n0.846219 0.869491 0.372060 N\n0.998259 0.707723 0.249144 N\n0.846664 0.435652 0.626921 N\n0.001741 0.292277 0.750856 N\n0.153336 0.564348 0.373079 N\n0.498259 0.792277 0.750856 N\n0.653781 0.130509 0.872060 N\n0.846664 0.064348 0.126921 N\n0.346664 0.435652 0.873079 N\n0.153781 0.369491 0.127940 N\n0.346664 0.064348 0.373079 N\n0.346218 0.630509 0.627940 N\n0.653336 0.564348 0.126921 N\n0.346218 0.869491 0.127940 N\n0.653336 0.935652 0.626921 N\n0.522735 0.262440 0.024444 O\n0.977265 0.762440 0.024444 O\n0.477265 0.737560 0.975556 O\n0.022735 0.237560 0.975556 O\n0.522735 0.237560 0.524444 O\n0.022735 0.262440 0.475556 O\n0.977265 0.737560 0.524444 O\n0.477265 0.762440 0.475556 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O-Sr",
"density": 4.820052038482523,
"density_atomic": 0.05462797896516377,
"volume": 1318.0059259727393,
"volume_molar": 11.023912789891634,
"formula_full": "Sr32 Ga8 N24 O8",
"formula_reduced": "Sr4GaN3O",
"formula_anonymous": "ABC3D4",
"energy": -406.07726658,
"energy_per_atom": -5.639962035833333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -391.91726657999993,
"band_gap": 1.1305,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0157797,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:04.991000Z",
"spacegroup": 61
},
{
"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": [
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"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,
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"formation_energy": null,
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"energy_uncorrected": -127.68980681,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.6362832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.341000Z",
"spacegroup": 8
},
{
"id": "mp-6509",
"created_at": "2022-09-04T14:47:29.337792Z",
"structure_string": "Sr6 Ga2 O8 F2\n1.0\n-3.424966 3.424966 5.748680\n3.424966 -3.424966 5.748680\n3.424966 3.424966 -5.748680\nSr Ga O F\n6 2 8 2\ndirect\n0.832567 0.332567 0.165133 Sr\n0.332567 0.167433 0.500000 Sr\n0.667433 0.832567 0.500000 Sr\n0.167433 0.667433 0.834867 Sr\n0.250000 0.250000 0.000000 Sr\n0.750000 0.750000 0.000000 Sr\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.496679 0.996679 0.205130 O\n0.208451 0.708451 0.205130 O\n0.503321 0.003321 0.794870 O\n0.003321 0.208451 0.500000 O\n0.708451 0.503321 0.500000 O\n0.996679 0.791549 0.500000 O\n0.291549 0.496679 0.500000 O\n0.791549 0.291549 0.794870 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"O",
"F"
],
"chemical_system": "F-Ga-O-Sr",
"density": 5.116724517987768,
"density_atomic": 0.0667316480037763,
"volume": 269.7370818562939,
"volume_molar": 9.02441486183469,
"formula_full": "Sr6 Ga2 O8 F2",
"formula_reduced": "Sr3GaO4F",
"formula_anonymous": "ABC3D4",
"energy": -115.64868706,
"energy_per_atom": -6.424927058888889,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -109.22868706,
"band_gap": 3.6718,
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"is_magnetic": false,
"total_magnetization": 0.0007642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.111000Z",
"spacegroup": 140
},
{
"id": "mp-1207126",
"created_at": "2022-09-04T14:47:56.934650Z",
"structure_string": "Sr2 Ga1 Os1 O6\n1.0\n-3.961800 -3.961800 0.000000\n-3.961800 0.000000 -3.961800\n0.000000 -3.961800 -3.961800\nSr Ga Os O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Os\n0.750440 0.750440 0.249560 O\n0.249560 0.249560 0.750440 O\n0.750440 0.249560 0.750440 O\n0.249560 0.750440 0.249560 O\n0.249560 0.750440 0.750440 O\n0.750440 0.249560 0.249560 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Os",
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],
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},
{
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"elements": [
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],
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{
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"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",
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],
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"formula_full": "Sr4 Ga2 Sb4 O14",
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"updated_at": "2021-11-28T01:36:18.648000Z",
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},
{
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"created_at": "2022-09-04T14:41:13.083419Z",
"structure_string": "Sr2 Ga1 Sb1 O6\n1.0\n-2.797294 2.797294 4.052986\n2.797294 -2.797294 4.052986\n2.797294 2.797294 -4.052986\nSr Ga Sb O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Sb\n0.791948 0.708613 0.500561 O\n0.291387 0.791948 0.083335 O\n0.708613 0.208052 0.916665 O\n0.208052 0.291387 0.499439 O\n0.747908 0.747908 0.000000 O\n0.252092 0.252092 0.000000 O\n",
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"elements": [
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],
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"formula_full": "Sr2 Ga1 Sb1 O6",
"formula_reduced": "Sr2GaSbO6",
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"updated_at": "2021-11-28T01:35:19.405000Z",
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}
]
}