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"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n5.760194 0.000000 0.000000\n0.000000 5.428014 0.000000\n0.000000 5.396274 7.800781\nSm Mg Ir O\n4 2 2 12\ndirect\n0.931909 0.731171 0.749098 Sm\n0.431909 0.268829 0.750902 Sm\n0.568091 0.731171 0.249098 Sm\n0.068091 0.268829 0.250902 Sm\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.198331 0.750720 0.554439 O\n0.700834 0.634153 0.554855 O\n0.034069 0.146284 0.747827 O\n0.534069 0.853716 0.752173 O\n0.200834 0.365847 0.945145 O\n0.698331 0.249280 0.945561 O\n0.301669 0.750720 0.054439 O\n0.799166 0.634153 0.054855 O\n0.465931 0.146284 0.247827 O\n0.965931 0.853716 0.252173 O\n0.299166 0.365847 0.445145 O\n0.801669 0.249280 0.445561 O\n",
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"formula_full": "Sm4 Mg2 Ir2 O12",
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},
{
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"structure_string": "Mn4 S6\n1.0\n5.567818 -2.867856 0.000000\n5.567818 2.867856 0.000000\n4.090651 0.000000 4.742549\nMn S\n4 6\ndirect\n0.842020 0.842020 0.842020 Mn\n0.657980 0.657980 0.657980 Mn\n0.342020 0.342020 0.342020 Mn\n0.157980 0.157980 0.157980 Mn\n0.250000 0.570074 0.929926 S\n0.570074 0.929926 0.250000 S\n0.929926 0.250000 0.570074 S\n0.070074 0.750000 0.429926 S\n0.429926 0.070074 0.750000 S\n0.750000 0.429926 0.070074 S\n",
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],
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"formula_full": "Mn4 S6",
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},
{
"id": "mp-1218806",
"created_at": "2022-09-04T14:43:00.229755Z",
"structure_string": "Sr4 Gd2 Ga2 O10\n1.0\n-6.771645 -0.021631 0.000000\n0.021631 6.771645 0.000000\n-3.375007 3.375007 -5.676164\nSr Gd Ga O\n4 2 2 10\ndirect\n0.250000 0.250000 0.500000 Sr\n0.750000 0.750000 0.500000 Sr\n0.826047 0.673953 0.000000 Sr\n0.173953 0.326047 0.000000 Sr\n0.680866 0.180866 0.000000 Gd\n0.319134 0.819134 0.000000 Gd\n0.753286 0.253286 0.493428 Ga\n0.246714 0.746714 0.506572 Ga\n0.217648 0.998226 0.284126 O\n0.498226 0.717648 0.284126 O\n0.009919 0.509919 0.284216 O\n0.705865 0.205865 0.284216 O\n0.782352 0.001774 0.715874 O\n0.501774 0.282352 0.715874 O\n0.990081 0.490081 0.715784 O\n0.294135 0.794135 0.715784 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ga-Gd-O-Sr",
"density": 6.152851556459596,
"density_atomic": 0.06915660053725689,
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"formula_full": "Sr4 Gd2 Ga2 O10",
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"energy": -146.03828326,
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{
"id": "mp-1202765",
"created_at": "2022-09-04T14:43:00.135793Z",
"structure_string": "Nd2 Cd40 Ni4\n1.0\n0.000000 7.903445 7.903445\n7.903445 0.000000 7.903445\n7.903445 7.903445 0.000000\nNd Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Nd\n0.568770 0.300744 0.300744 Cd\n0.300744 0.568770 0.829743 Cd\n0.300744 0.829743 0.568770 Cd\n0.829743 0.300744 0.300744 Cd\n0.300744 0.300744 0.568770 Cd\n0.568770 0.829743 0.300744 Cd\n0.829743 0.568770 0.300744 Cd\n0.300744 0.300744 0.829743 Cd\n0.300744 0.568770 0.300744 Cd\n0.829743 0.300744 0.568770 Cd\n0.568770 0.300744 0.829743 Cd\n0.300744 0.829743 0.300744 Cd\n0.681230 0.949256 0.949256 Cd\n0.949256 0.681230 0.420257 Cd\n0.949256 0.420257 0.681230 Cd\n0.420257 0.949256 0.949256 Cd\n0.949256 0.949256 0.681230 Cd\n0.681230 0.420257 0.949256 Cd\n0.420257 0.681230 0.949256 Cd\n0.949256 0.949256 0.420257 Cd\n0.949256 0.681230 0.949256 Cd\n0.420257 0.949256 0.681230 Cd\n0.681230 0.949256 0.420257 Cd\n0.949256 0.420257 0.949256 Cd\n0.862925 0.862925 0.137075 Cd\n0.137075 0.137075 0.862925 Cd\n0.862925 0.137075 0.862925 Cd\n0.137075 0.862925 0.137075 Cd\n0.137075 0.862925 0.862925 Cd\n0.862925 0.137075 0.137075 Cd\n0.387075 0.387075 0.112925 Cd\n0.112925 0.112925 0.387075 Cd\n0.387075 0.112925 0.387075 Cd\n0.112925 0.387075 0.112925 Cd\n0.112925 0.387075 0.387075 Cd\n0.387075 0.112925 0.112925 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
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],
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"density": 8.442038929262829,
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"volume": 987.3685773261556,
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"formula_full": "Nd2 Cd40 Ni4",
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"updated_at": "2021-11-28T01:36:05.465000Z",
"spacegroup": 227
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{
"id": "mp-1179374",
"created_at": "2022-09-04T14:42:57.040591Z",
"structure_string": "Sr1 H16 O10\n1.0\n6.297984 0.000000 0.000000\n0.087721 6.358955 0.000000\n0.100692 0.019592 7.012782\nSr H O\n1 16 10\ndirect\n0.989836 0.001770 0.011206 Sr\n0.667998 0.335333 0.200854 H\n0.722729 0.146822 0.345126 H\n0.336856 0.678010 0.190180 H\n0.289012 0.901197 0.291668 H\n0.102340 0.288996 0.292995 H\n0.326003 0.331812 0.185289 H\n0.679152 0.660504 0.196164 H\n0.899231 0.704553 0.300010 H\n0.280850 0.903034 0.712763 H\n0.332343 0.679201 0.812118 H\n0.662455 0.320548 0.808946 H\n0.712274 0.092189 0.713117 H\n0.677691 0.665584 0.811119 H\n0.901603 0.725234 0.709808 H\n0.319966 0.331544 0.812425 H\n0.099731 0.279851 0.707583 H\n0.499403 0.495755 0.107311 O\n0.501119 0.496753 0.893428 O\n0.787970 0.244511 0.255953 O\n0.220877 0.777162 0.239437 O\n0.227422 0.218052 0.236403 O\n0.774371 0.773882 0.245580 O\n0.215122 0.776927 0.765997 O\n0.778592 0.221754 0.756754 O\n0.770234 0.785480 0.764415 O\n0.224820 0.215317 0.766416 O\n",
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],
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"density": 1.5593699779674872,
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"volume": 280.85207909193474,
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"formula_full": "Sr1 H16 O10",
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]
}