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{
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{
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"structure_string": "Yb10 Si6\n1.0\n0.000000 0.000000 -6.468696\n-4.404588 -7.628971 0.000000\n-4.400413 7.626561 0.000000\nYb Si\n10 6\ndirect\n0.500000 0.333318 0.666636 Yb\n0.500000 0.666682 0.333364 Yb\n0.000000 0.666682 0.333364 Yb\n0.000000 0.333318 0.666636 Yb\n0.750006 0.273085 0.000000 Yb\n0.749996 0.725519 0.726256 Yb\n0.749996 0.999263 0.273744 Yb\n0.250006 0.726915 0.000000 Yb\n0.249996 0.274481 0.273744 Yb\n0.249996 0.000737 0.726256 Yb\n0.750000 0.612246 0.000000 Si\n0.750001 0.386531 0.386653 Si\n0.750001 0.999879 0.613347 Si\n0.250000 0.387754 0.000000 Si\n0.250001 0.613469 0.613347 Si\n0.250001 0.000121 0.386653 Si\n",
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{
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{
"id": "mp-1222299",
"created_at": "2022-09-04T14:47:55.022056Z",
"structure_string": "Li1 Mg1 B1 N2\n1.0\n3.819312 0.000000 0.000000\n0.000000 3.819312 0.000000\n1.909656 1.909656 4.443522\nLi Mg B N\n1 1 1 2\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 B\n0.348736 0.348736 0.302527 N\n0.651264 0.651264 0.697473 N\n",
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{
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"structure_string": "Rb4 Er4 S8 O36\n1.0\n0.000000 8.557369 0.000000\n9.164141 0.000000 -5.314559\n-8.818861 0.000000 -5.032899\nRb Er S O\n4 4 8 36\ndirect\n0.331785 0.682619 0.964161 Rb\n0.668215 0.317381 0.035839 Rb\n0.831785 0.817381 0.535839 Rb\n0.168215 0.182619 0.464161 Rb\n0.368963 0.968176 0.717901 Er\n0.631037 0.031824 0.282099 Er\n0.868963 0.531824 0.782099 Er\n0.131037 0.468176 0.217901 Er\n0.131911 0.316030 0.875989 S\n0.868089 0.683970 0.124011 S\n0.631911 0.183970 0.624011 S\n0.368089 0.816030 0.375989 S\n0.196661 0.608815 0.598144 S\n0.803339 0.391185 0.401856 S\n0.696661 0.891185 0.901856 S\n0.303339 0.108815 0.098144 S\n0.790925 0.026438 0.970681 O\n0.209075 0.973562 0.029319 O\n0.290925 0.473562 0.529319 O\n0.709075 0.526438 0.470681 O\n0.205694 0.176310 0.763658 O\n0.794306 0.823690 0.236342 O\n0.705694 0.323690 0.736342 O\n0.294306 0.676310 0.263658 O\n0.300576 0.740384 0.680008 O\n0.699424 0.259616 0.319992 O\n0.800576 0.759616 0.819992 O\n0.199424 0.240384 0.180008 O\n0.391684 0.120115 0.977921 O\n0.608316 0.879885 0.022079 O\n0.891684 0.379885 0.522079 O\n0.108316 0.620115 0.477921 O\n0.116217 0.939276 0.778172 O\n0.883783 0.060724 0.221829 O\n0.616217 0.560724 0.721828 O\n0.383783 0.439276 0.278172 O\n0.251546 0.419880 0.986324 O\n0.748454 0.580120 0.013676 O\n0.751546 0.080120 0.513676 O\n0.248454 0.919880 0.486324 O\n0.013143 0.299760 0.973336 O\n0.986857 0.700240 0.026664 O\n0.513143 0.200240 0.526664 O\n0.486857 0.799760 0.473336 O\n0.060019 0.380939 0.789380 O\n0.939981 0.619061 0.210620 O\n0.560019 0.119061 0.710620 O\n0.439981 0.880939 0.289380 O\n0.589540 0.888332 0.785661 O\n0.410460 0.111668 0.214339 O\n0.089540 0.611668 0.714339 O\n0.910460 0.388332 0.285661 O\n",
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"elements": [
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],
"chemical_system": "In-Na-O",
"density": 3.005815327769164,
"density_atomic": 0.06517077338804378,
"volume": 1503.741553234031,
"volume_molar": 9.240554387996292,
"formula_full": "Na52 In8 O38",
"formula_reduced": "Na26In4O19",
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"energy": -437.9557607,
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"updated_at": "2021-11-28T01:38:16.763000Z",
"spacegroup": 9
},
{
"id": "mp-1159",
"created_at": "2022-09-04T14:47:55.072576Z",
"structure_string": "Zr4 Fe2\n1.0\n-3.138802 3.138802 2.868279\n3.138802 -3.138802 2.868279\n3.138802 3.138802 -2.868279\nZr Fe\n4 2\ndirect\n0.678284 0.178284 0.856567 Zr\n0.321716 0.821716 0.143433 Zr\n0.821716 0.678284 0.500000 Zr\n0.178284 0.321716 0.500000 Zr\n0.750000 0.750000 0.000000 Fe\n0.250000 0.250000 0.000000 Fe\n",
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],
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"density": 7.00133973662212,
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"volume": 113.03403368002293,
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"formula_full": "Zr4 Fe2",
"formula_reduced": "Zr2Fe",
"formula_anonymous": "AB2",
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"formation_energy": null,
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"energy_uncorrected": -51.95663802999999,
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"updated_at": "2021-11-28T01:38:13.850000Z",
"spacegroup": 140
},
{
"id": "mp-1079717",
"created_at": "2022-09-04T14:47:55.157810Z",
"structure_string": "Sr2 Ti2 Sb2 O1 F2\n1.0\n-2.056452 2.056452 10.677119\n2.056452 -2.056452 10.677119\n2.056452 2.056452 -10.677119\nSr Ti Sb O F\n2 2 2 1 2\ndirect\n0.316955 0.316955 0.000000 Sr\n0.683045 0.683045 0.000000 Sr\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.904532 0.904532 0.000000 Sb\n0.095468 0.095468 0.000000 Sb\n0.500000 0.500000 0.000000 O\n0.250000 0.750000 0.500000 F\n0.750000 0.250000 0.500000 F\n",
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"formula_full": "Sr2 Ti2 Sb2 O1 F2",
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{
"id": "mp-780618",
"created_at": "2022-09-04T14:47:55.276852Z",
"structure_string": "Na8 Bi4 O12\n1.0\n10.036474 0.000000 0.000000\n0.000000 4.836842 0.000000\n0.000000 0.021583 6.773706\nNa Bi O\n8 4 12\ndirect\n0.745447 0.255522 0.887501 Na\n0.754553 0.255522 0.387501 Na\n0.418627 0.251207 0.874237 Na\n0.081373 0.251207 0.374237 Na\n0.918627 0.748793 0.625763 Na\n0.581373 0.748793 0.125763 Na\n0.245447 0.744478 0.612499 Na\n0.254553 0.744478 0.112499 Na\n0.089511 0.240975 0.859986 Bi\n0.410489 0.240975 0.359986 Bi\n0.589511 0.759025 0.640014 Bi\n0.910489 0.759025 0.140014 Bi\n0.570621 0.240062 0.606900 O\n0.929379 0.240062 0.106900 O\n0.934895 0.250904 0.655975 O\n0.565105 0.250904 0.155975 O\n0.248454 0.247163 0.620266 O\n0.251546 0.247163 0.120266 O\n0.748454 0.752837 0.879734 O\n0.751546 0.752837 0.379734 O\n0.434895 0.749096 0.844025 O\n0.065105 0.749096 0.344025 O\n0.070621 0.759938 0.893100 O\n0.429379 0.759938 0.393100 O\n",
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}
]
}