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{
"id": "mp-867030",
"created_at": "2022-09-04T14:42:13.123196Z",
"structure_string": "Ca32 Sn40 S112\n1.0\n-14.204139 0.000000 0.000000\n0.000000 0.000000 -15.970372\n0.000000 -21.887334 0.000000\nCa Sn S\n32 40 112\ndirect\n0.412317 0.717293 0.631690 Ca\n0.912317 0.282707 0.868310 Ca\n0.587683 0.782707 0.131690 Ca\n0.087683 0.217293 0.368310 Ca\n0.587683 0.282707 0.368310 Ca\n0.087683 0.717293 0.131690 Ca\n0.412317 0.217293 0.868310 Ca\n0.912317 0.782707 0.631690 Ca\n0.373469 0.799799 0.994487 Ca\n0.873469 0.200201 0.505513 Ca\n0.626531 0.700201 0.494487 Ca\n0.126531 0.299799 0.005513 Ca\n0.626531 0.200201 0.005513 Ca\n0.126531 0.799799 0.494487 Ca\n0.373469 0.299799 0.505513 Ca\n0.873469 0.700201 0.994487 Ca\n0.139113 0.704506 0.810326 Ca\n0.639113 0.295494 0.689674 Ca\n0.860887 0.795494 0.310326 Ca\n0.360887 0.204506 0.189674 Ca\n0.860887 0.295494 0.189674 Ca\n0.360887 0.704506 0.310326 Ca\n0.139113 0.204506 0.689674 Ca\n0.639113 0.795494 0.810326 Ca\n0.109136 0.876224 0.956923 Ca\n0.609136 0.123776 0.543077 Ca\n0.890864 0.623776 0.456923 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0.150187 S\n0.456628 0.466213 0.150187 S\n0.956628 0.533787 0.349813 S\n0.543372 0.033787 0.650187 S\n0.043372 0.966213 0.849813 S\n0.490555 0.817124 0.723989 S\n0.990555 0.182876 0.776011 S\n0.509445 0.682876 0.223989 S\n0.009445 0.317124 0.276012 S\n0.509445 0.182876 0.276012 S\n0.009445 0.817124 0.223989 S\n0.490555 0.317124 0.776011 S\n0.990555 0.682876 0.723989 S\n0.299482 0.744664 0.534199 S\n0.799482 0.255336 0.965801 S\n0.700518 0.755336 0.034199 S\n0.200518 0.244664 0.465801 S\n0.700518 0.255336 0.465801 S\n0.200518 0.744664 0.034199 S\n0.299482 0.244664 0.965801 S\n0.799482 0.755336 0.534199 S\n0.250417 0.798591 0.887369 S\n0.750417 0.201409 0.612631 S\n0.749583 0.701409 0.387369 S\n0.249584 0.298591 0.112631 S\n0.749583 0.201409 0.112631 S\n0.249584 0.798591 0.387369 S\n0.250417 0.298591 0.612631 S\n0.750417 0.701409 0.887369 S\n0.332228 0.945466 0.745985 S\n0.832228 0.054534 0.754015 S\n0.667772 0.554534 0.245985 S\n0.167772 0.445466 0.254015 S\n0.667772 0.054534 0.254015 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"volume": 4965.040680925777,
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"formula_full": "Ca32 Sn40 S112",
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"updated_at": "2021-11-28T01:35:37.867000Z",
"spacegroup": 61
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{
"id": "mp-776782",
"created_at": "2022-09-04T14:39:10.596685Z",
"structure_string": "Ba24 Y4 I60\n1.0\n8.636689 8.354691 0.000000\n-8.636689 8.354691 0.000000\n0.000000 0.027543 34.384851\nBa Y I\n24 4 60\ndirect\n0.005195 0.026609 0.616126 Ba\n0.026609 0.005195 0.116126 Ba\n0.944631 0.454082 0.635125 Ba\n0.181853 0.248770 0.742537 Ba\n0.454082 0.944631 0.135125 Ba\n0.248770 0.181853 0.242537 Ba\n0.436222 0.079822 0.629166 Ba\n0.224226 0.321246 0.523410 Ba\n0.079822 0.436222 0.129166 Ba\n0.321246 0.224226 0.023410 Ba\n0.393757 0.542201 0.642716 Ba\n0.542201 0.393757 0.142716 Ba\n0.457799 0.606243 0.857284 Ba\n0.606243 0.457799 0.357284 Ba\n0.678754 0.775774 0.976590 Ba\n0.920178 0.563778 0.870834 Ba\n0.775774 0.678754 0.476590 Ba\n0.563778 0.920178 0.370834 Ba\n0.751230 0.818147 0.757463 Ba\n0.545918 0.055369 0.864875 Ba\n0.818147 0.751230 0.257463 Ba\n0.055369 0.545918 0.364875 Ba\n0.973391 0.994805 0.883874 Ba\n0.994805 0.973391 0.383874 Ba\n0.252358 0.292945 0.886890 Y\n0.292945 0.252358 0.386890 Y\n0.707055 0.747642 0.613110 Y\n0.747642 0.707055 0.113110 Y\n0.177834 0.101525 0.945752 I\n0.101525 0.177834 0.445752 I\n0.215917 0.089850 0.828432 I\n0.243165 0.042837 0.556555 I\n0.089850 0.215917 0.328432 I\n0.042837 0.243165 0.056555 I\n0.469320 0.240631 0.936485 I\n0.154808 0.512260 0.702471 I\n0.240631 0.469320 0.436485 I\n0.707985 0.013417 0.612682 I\n0.512260 0.154808 0.202471 I\n0.458366 0.319262 0.828274 I\n0.013417 0.707985 0.112682 I\n0.169689 0.558814 0.578797 I\n0.434499 0.292003 0.698812 I\n0.264065 0.493612 0.938345 I\n0.740307 0.038788 0.938911 I\n0.997432 0.788949 0.812616 I\n0.319262 0.458366 0.328274 I\n0.558814 0.169689 0.078797 I\n0.292003 0.434499 0.198812 I\n0.493612 0.264065 0.438345 I\n0.038788 0.740307 0.438911 I\n0.788949 0.997432 0.312616 I\n0.187739 0.479361 0.823273 I\n0.463675 0.334155 0.577570 I\n0.787963 0.069519 0.808211 I\n0.479361 0.187739 0.323273 I\n0.334155 0.463675 0.077570 I\n0.069519 0.787963 0.308211 I\n0.930481 0.212037 0.691789 I\n0.665845 0.536325 0.922430 I\n0.520639 0.812261 0.676727 I\n0.212037 0.930481 0.191789 I\n0.536325 0.665845 0.422430 I\n0.812261 0.520639 0.176727 I\n0.211051 0.002568 0.687384 I\n0.961212 0.259693 0.561089 I\n0.506388 0.735935 0.561655 I\n0.707997 0.565501 0.801188 I\n0.441186 0.830311 0.921203 I\n0.680738 0.541634 0.671726 I\n0.002568 0.211051 0.187384 I\n0.259693 0.961212 0.061089 I\n0.735935 0.506388 0.061655 I\n0.565501 0.707997 0.301188 I\n0.830311 0.441186 0.421203 I\n0.986583 0.292015 0.887318 I\n0.541634 0.680738 0.171726 I\n0.487740 0.845192 0.797529 I\n0.292015 0.986583 0.387318 I\n0.759369 0.530680 0.563515 I\n0.845192 0.487740 0.297529 I\n0.530680 0.759369 0.063515 I\n0.957163 0.756835 0.943445 I\n0.910150 0.784083 0.671568 I\n0.756835 0.957163 0.443445 I\n0.784083 0.910150 0.171568 I\n0.898475 0.822166 0.554248 I\n0.822166 0.898475 0.054248 I\n",
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{
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"formula_full": "Mg8 Si4",
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{
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"created_at": "2022-09-04T14:48:00.013008Z",
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{
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{
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{
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{
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}