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{
"id": "mp-1047621",
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"structure_string": "Mo4 O8\n1.0\n1.594923 -5.026903 0.000000\n1.594923 5.026903 0.000000\n0.000000 0.000000 10.503919\nMo O\n4 8\ndirect\n0.133093 0.866907 0.075107 Mo\n0.866907 0.133093 0.924893 Mo\n0.133093 0.866907 0.424893 Mo\n0.866907 0.133093 0.575107 Mo\n0.760392 0.239608 0.402477 O\n0.239608 0.760392 0.597523 O\n0.239608 0.760392 0.902477 O\n0.760392 0.239608 0.097523 O\n0.080004 0.919996 0.250000 O\n0.919996 0.080004 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-646895",
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"structure_string": "Si32 O64\n1.0\n17.220301 2.558088 0.000000\n-17.220301 2.558088 0.000000\n0.000000 0.317276 21.571730\nSi O\n32 64\ndirect\n0.831952 0.073053 0.855448 Si\n0.237304 0.684113 0.566787 Si\n0.376816 0.714850 0.678573 Si\n0.989896 0.924024 0.320675 Si\n0.060040 0.835613 0.504261 Si\n0.315887 0.762696 0.933213 Si\n0.164387 0.939959 0.995739 Si\n0.457556 0.436744 0.396871 Si\n0.542444 0.563256 0.603129 Si\n0.168048 0.926947 0.144552 Si\n0.762696 0.315887 0.433213 Si\n0.505738 0.380838 0.521825 Si\n0.380838 0.505738 0.021825 Si\n0.285150 0.623184 0.821427 Si\n0.165681 0.766496 0.990043 Si\n0.623184 0.285150 0.321427 Si\n0.233504 0.834319 0.509957 Si\n0.010104 0.075976 0.679325 Si\n0.714850 0.376816 0.178573 Si\n0.494262 0.619162 0.478175 Si\n0.563256 0.542444 0.103129 Si\n0.939959 0.164387 0.495739 Si\n0.436744 0.457556 0.896871 Si\n0.684113 0.237304 0.066787 Si\n0.834319 0.233504 0.009957 Si\n0.924024 0.989896 0.820675 Si\n0.835613 0.060041 0.004261 Si\n0.926947 0.168048 0.644552 Si\n0.619162 0.494262 0.978175 Si\n0.075976 0.010104 0.179325 Si\n0.766496 0.165681 0.490043 Si\n0.073053 0.831952 0.355448 Si\n0.872784 0.102704 0.929532 O\n0.362699 0.316221 0.155675 O\n0.781604 0.240228 0.431824 O\n0.248174 0.443632 0.478392 O\n0.850831 0.161188 0.466014 O\n0.714890 0.299826 0.136279 O\n0.232745 0.071490 0.531614 O\n0.982596 0.017404 0.750000 O\n0.124677 0.533873 0.982301 O\n0.875323 0.466127 0.017699 O\n0.478722 0.209656 0.159484 O\n0.090355 0.931249 0.321175 O\n0.853262 0.830397 0.132894 O\n0.209656 0.478722 0.659484 O\n0.838812 0.149169 0.033986 O\n0.683779 0.637301 0.344325 O\n0.443632 0.248174 0.978392 O\n0.556368 0.751826 0.021608 O\n0.909645 0.068751 0.678825 O\n0.102704 0.872784 0.429532 O\n0.466127 0.875323 0.517699 O\n0.218396 0.759772 0.568176 O\n0.790344 0.521278 0.340516 O\n0.533121 0.465766 0.579572 O\n0.169603 0.146738 0.367106 O\n0.127216 0.897296 0.070468 O\n0.751826 0.556368 0.521608 O\n0.682070 0.317930 0.250000 O\n0.316221 0.362699 0.655675 O\n0.161188 0.850831 0.966014 O\n0.931249 0.090355 0.821175 O\n0.995479 0.689851 0.170452 O\n0.380242 0.959371 0.044944 O\n0.317930 0.682070 0.750000 O\n0.465766 0.533121 0.079572 O\n0.146738 0.169603 0.867106 O\n0.040629 0.619758 0.455056 O\n0.501820 0.422368 0.455940 O\n0.521278 0.790344 0.840516 O\n0.466879 0.534234 0.420428 O\n0.422368 0.501820 0.955940 O\n0.700174 0.285110 0.363721 O\n0.959371 0.380242 0.544944 O\n0.689851 0.995479 0.670452 O\n0.534234 0.466879 0.920428 O\n0.004521 0.310149 0.829548 O\n0.310149 0.004521 0.329548 O\n0.299826 0.714890 0.636279 O\n0.928510 0.767255 0.968386 O\n0.830397 0.853262 0.632894 O\n0.897296 0.127216 0.570468 O\n0.240228 0.781604 0.931824 O\n0.149169 0.838812 0.533986 O\n0.577632 0.498180 0.044060 O\n0.017404 0.982596 0.250000 O\n0.498180 0.577632 0.544060 O\n0.637301 0.683779 0.844325 O\n0.285110 0.700174 0.863721 O\n0.759772 0.218396 0.068176 O\n0.619758 0.040629 0.955056 O\n0.071490 0.232745 0.031614 O\n0.767255 0.928510 0.468386 O\n0.533873 0.124677 0.482301 O\n0.068751 0.909645 0.178825 O\n",
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{
"id": "mp-642855",
"created_at": "2022-09-04T14:48:17.835640Z",
"structure_string": "Mg6 Ge2\n1.0\n3.476328 -6.021177 0.000000\n3.476328 6.021177 0.000000\n0.000000 0.000000 4.252652\nMg Ge\n6 2\ndirect\n0.627486 0.712555 0.750000 Mg\n0.287445 0.914930 0.750000 Mg\n0.085070 0.372514 0.750000 Mg\n0.372514 0.287445 0.250000 Mg\n0.712555 0.085070 0.250000 Mg\n0.914930 0.627486 0.250000 Mg\n0.666667 0.333333 0.750000 Ge\n0.333333 0.666667 0.250000 Ge\n",
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{
"id": "mp-17279",
"created_at": "2022-09-04T14:48:17.820214Z",
"structure_string": "Si16 O32\n1.0\n6.824201 9.445622 0.000000\n-6.824201 9.445622 0.000000\n0.000000 1.585831 7.584320\nSi O\n16 32\ndirect\n0.957506 0.364584 0.227691 Si\n0.635416 0.042494 0.772309 Si\n0.042494 0.635416 0.772309 Si\n0.364584 0.957506 0.227691 Si\n0.866333 0.638328 0.125462 Si\n0.361672 0.133667 0.874538 Si\n0.133667 0.361672 0.874538 Si\n0.638328 0.866333 0.125462 Si\n0.874102 0.101535 0.800974 Si\n0.898465 0.125898 0.199026 Si\n0.125898 0.898465 0.199026 Si\n0.101535 0.874102 0.800974 Si\n0.031787 0.262888 0.595804 Si\n0.737112 0.968213 0.404196 Si\n0.968213 0.737112 0.404196 Si\n0.262888 0.031787 0.595804 Si\n0.048017 0.332771 0.750931 O\n0.667229 0.951983 0.249069 O\n0.951983 0.667229 0.249069 O\n0.332771 0.048017 0.750931 O\n0.737933 0.111072 0.766866 O\n0.888928 0.262067 0.233134 O\n0.262067 0.888928 0.233134 O\n0.111072 0.737933 0.766866 O\n0.922813 0.658084 0.919769 O\n0.341916 0.077187 0.080231 O\n0.077187 0.341916 0.080231 O\n0.658084 0.922813 0.919769 O\n0.862465 0.498426 0.180128 O\n0.501574 0.137535 0.819872 O\n0.137535 0.501574 0.819872 O\n0.498426 0.862465 0.180128 O\n0.157630 0.157630 0.546476 O\n0.842370 0.842370 0.453524 O\n0.128739 0.871261 0.000000 O\n0.871261 0.128739 0.000000 O\n0.358226 0.999646 0.420163 O\n0.000354 0.641774 0.579837 O\n0.641774 0.000354 0.579837 O\n0.999646 0.358226 0.420163 O\n0.203031 0.920773 0.662324 O\n0.079227 0.796969 0.337676 O\n0.796969 0.079227 0.337676 O\n0.920773 0.203031 0.662324 O\n0.964829 0.964829 0.773391 O\n0.035171 0.035171 0.226609 O\n0.727886 0.727886 0.151642 O\n0.272114 0.272114 0.848358 O\n",
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{
"id": "mp-1178684",
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{
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{
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{
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{
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{
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"formula_full": "Cu1 Te2",
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"spacegroup": 164
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{
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"created_at": "2022-09-04T14:48:17.755735Z",
"structure_string": "Na3 Au1\n1.0\n0.000000 3.677781 3.677781\n3.677781 0.000000 3.677781\n3.677781 3.677781 0.000000\nNa Au\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n",
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"density": 4.4385226282112376,
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"volume": 99.49186918560635,
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"formula_full": "Na3 Au1",
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"updated_at": "2021-11-28T01:38:47.122000Z",
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},
{
"id": "mp-540003",
"created_at": "2022-09-04T14:48:19.310139Z",
"structure_string": "Fe4 O8\n1.0\n0.000000 4.078300 4.078300\n4.078300 0.000000 4.078300\n4.078300 4.078300 0.000000\nFe O\n4 8\ndirect\n0.125000 0.125000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.125000 0.625000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.914659 0.361780 0.361780 O\n0.361780 0.361780 0.361780 O\n0.335341 0.888220 0.888220 O\n0.888220 0.888220 0.335341 O\n0.888220 0.888220 0.888220 O\n0.888220 0.335341 0.888220 O\n0.361780 0.361780 0.914659 O\n0.361780 0.914659 0.361780 O\n",
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"formula_full": "Fe4 O8",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy": -86.69340742,
"energy_per_atom": -7.224450618333333,
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"updated_at": "2021-11-28T01:39:29.787000Z",
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}
]
}