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{
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{
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{
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{
"id": "mp-1201283",
"created_at": "2022-09-04T14:43:53.593388Z",
"structure_string": "Re4 C4 N4 Cl12 O8\n1.0\n4.226328 8.330987 0.000000\n-4.226328 8.330987 0.000000\n0.000000 7.154202 15.707142\nRe C N Cl O\n4 4 4 12 8\ndirect\n0.429382 0.479737 0.716067 Re\n0.520263 0.570618 0.783933 Re\n0.570618 0.520263 0.283933 Re\n0.479737 0.429382 0.216067 Re\n0.225154 0.092898 0.590825 C\n0.907102 0.774846 0.909175 C\n0.774846 0.907102 0.409175 C\n0.092898 0.225154 0.090825 C\n0.628205 0.100664 0.615935 N\n0.899336 0.371795 0.884065 N\n0.371795 0.899336 0.384065 N\n0.100664 0.628205 0.115935 N\n0.616190 0.470176 0.586775 Cl\n0.529824 0.383810 0.913225 Cl\n0.383810 0.529824 0.413225 Cl\n0.470176 0.616190 0.086775 Cl\n0.432174 0.234587 0.805257 Cl\n0.765413 0.567826 0.694743 Cl\n0.567826 0.765413 0.194743 Cl\n0.234587 0.432174 0.305257 Cl\n0.170586 0.715840 0.672310 Cl\n0.284160 0.829414 0.827690 Cl\n0.829414 0.284160 0.327690 Cl\n0.715840 0.170586 0.172310 Cl\n0.180329 0.065599 0.545089 O\n0.934401 0.819671 0.954911 O\n0.819671 0.934401 0.454911 O\n0.065599 0.180329 0.045089 O\n0.879839 0.729525 0.863588 O\n0.270475 0.120161 0.636412 O\n0.120161 0.270475 0.136412 O\n0.729525 0.879839 0.363588 O\n",
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"formula_full": "Re4 C4 N4 Cl12 O8",
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"spacegroup": 15
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{
"id": "mp-1220532",
"created_at": "2022-09-04T14:43:44.366072Z",
"structure_string": "Nd2 Fe17 C1\n1.0\n4.325043 4.847708 0.000000\n-4.325043 4.847708 0.000000\n0.000000 0.935945 6.440978\nNd Fe C\n2 17 1\ndirect\n0.338529 0.338529 0.352468 Nd\n0.661471 0.661471 0.647532 Nd\n0.096347 0.096347 0.097063 Fe\n0.903653 0.903653 0.902937 Fe\n0.657430 0.657430 0.147908 Fe\n0.659006 0.149931 0.657942 Fe\n0.149931 0.659006 0.657942 Fe\n0.342570 0.342570 0.852092 Fe\n0.340994 0.850069 0.342058 Fe\n0.850069 0.340994 0.342058 Fe\n0.714269 0.285731 0.000000 Fe\n0.285960 0.999407 0.713998 Fe\n0.000593 0.714040 0.286002 Fe\n0.714040 0.000593 0.286002 Fe\n0.999407 0.285960 0.713998 Fe\n0.285731 0.714269 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 C\n",
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"density": 7.684253243436043,
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"volume": 270.09011726569736,
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"formula_full": "Nd2 Fe17 C1",
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{
"id": "mp-883780",
"created_at": "2022-09-04T14:43:58.765343Z",
"structure_string": "Li3 Mn6 P6 O24\n1.0\n7.326722 0.000000 0.000000\n-0.382499 8.467633 0.000000\n-0.413846 -4.238394 7.435220\nLi Mn P O\n3 6 6 24\ndirect\n0.065080 0.642788 0.022408 Li\n0.087644 0.642438 0.663661 Li\n0.593199 0.365435 0.981743 Li\n0.743947 0.954559 0.026554 Mn\n0.279039 0.976010 0.009717 Mn\n0.795225 0.976527 0.349709 Mn\n0.219377 0.998408 0.328389 Mn\n0.712713 0.041647 0.645580 Mn\n0.303833 0.985868 0.670536 Mn\n0.501693 0.716165 0.319852 P\n0.498201 0.605588 0.039578 P\n0.998157 0.323724 0.356459 P\n0.509541 0.673451 0.652721 P\n0.989450 0.405568 0.951804 P\n0.018141 0.282308 0.676466 P\n0.953933 0.123175 0.030796 O\n0.021555 0.311382 0.099865 O\n0.662060 0.920608 0.259521 O\n0.321211 0.844426 0.288417 O\n0.325472 0.445658 0.143122 O\n0.675330 0.390717 0.157024 O\n0.987400 0.641032 0.481668 O\n0.005215 0.646647 0.149631 O\n0.991538 0.066893 0.405351 O\n0.501237 0.756826 0.196156 O\n0.671954 0.720738 0.573250 O\n0.323610 0.723086 0.573705 O\n0.833099 0.310970 0.418710 O\n0.182095 0.264316 0.444279 O\n0.060961 0.229118 0.806373 O\n0.506664 0.922307 0.611700 O\n0.519359 0.344443 0.860794 O\n0.533503 0.364356 0.520784 O\n0.147393 0.589099 0.825091 O\n0.809868 0.622504 0.836694 O\n0.846936 0.097717 0.736934 O\n0.182163 0.129508 0.705868 O\n0.478162 0.705017 0.886057 O\n0.522867 0.895542 0.955685 O\n",
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{
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{
"id": "mp-755770",
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"structure_string": "Ba4 La2 I14\n1.0\n4.646579 9.245938 0.000000\n-4.646579 9.245938 0.000000\n0.000000 6.415651 9.824861\nBa La I\n4 2 14\ndirect\n0.295438 0.307061 0.306658 Ba\n0.692939 0.704562 0.193342 Ba\n0.307061 0.295438 0.806658 Ba\n0.704562 0.692939 0.693342 Ba\n0.013390 0.986610 0.750000 La\n0.986610 0.013390 0.250000 La\n0.068583 0.755498 0.078953 I\n0.680802 0.925751 0.352489 I\n0.882181 0.376990 0.538134 I\n0.380801 0.619199 0.750000 I\n0.074249 0.319198 0.147511 I\n0.244502 0.931417 0.421047 I\n0.623010 0.117819 0.961866 I\n0.376990 0.882181 0.038134 I\n0.755498 0.068583 0.578953 I\n0.925751 0.680802 0.852489 I\n0.619199 0.380801 0.250000 I\n0.117819 0.623010 0.461866 I\n0.319198 0.074249 0.647511 I\n0.931417 0.244502 0.921047 I\n",
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{
"id": "mp-770626",
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"structure_string": "Li12 Ni4 P2 C8 O32\n1.0\n0.000000 6.594561 6.594561\n6.594561 0.000000 6.594561\n6.594561 6.594561 0.000000\nLi Ni P C O\n12 4 2 8 32\ndirect\n0.282394 0.282394 0.717606 Li\n0.967606 0.532394 0.532394 Li\n0.717606 0.282394 0.717606 Li\n0.282394 0.717606 0.282394 Li\n0.532394 0.967606 0.967606 Li\n0.532394 0.532394 0.967606 Li\n0.717606 0.282394 0.282394 Li\n0.717606 0.717606 0.282394 Li\n0.967606 0.532394 0.967606 Li\n0.532394 0.967606 0.532394 Li\n0.282394 0.717606 0.717606 Li\n0.967606 0.967606 0.532394 Li\n0.625000 0.125000 0.125000 Ni\n0.125000 0.125000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.625000 0.125000 Ni\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n0.294266 0.901911 0.901911 C\n0.901911 0.294266 0.901911 C\n0.901911 0.901911 0.901911 C\n0.901911 0.901911 0.294266 C\n0.348089 0.348089 0.955734 C\n0.348089 0.348089 0.348089 C\n0.348089 0.955734 0.348089 C\n0.955734 0.348089 0.348089 C\n0.215273 0.493092 0.336976 O\n0.954659 0.336976 0.493092 O\n0.295341 0.034727 0.913024 O\n0.034727 0.295341 0.756908 O\n0.295341 0.756908 0.034727 O\n0.567776 0.567776 0.296673 O\n0.913024 0.034727 0.756908 O\n0.567776 0.567776 0.567776 O\n0.567776 0.296673 0.567776 O\n0.913024 0.295341 0.034727 O\n0.756908 0.295341 0.913024 O\n0.296673 0.567776 0.567776 O\n0.034727 0.913024 0.295341 O\n0.756908 0.913024 0.034727 O\n0.913024 0.756908 0.295341 O\n0.493092 0.215273 0.954659 O\n0.756908 0.034727 0.295341 O\n0.336976 0.493092 0.954659 O\n0.493092 0.336976 0.215273 O\n0.215273 0.336976 0.954659 O\n0.953327 0.682224 0.682224 O\n0.493092 0.954659 0.336976 O\n0.336976 0.954659 0.215273 O\n0.682224 0.953327 0.682224 O\n0.682224 0.682224 0.682224 O\n0.336976 0.215273 0.493092 O\n0.682224 0.682224 0.953327 O\n0.954659 0.493092 0.215273 O\n0.215273 0.954659 0.493092 O\n0.954659 0.215273 0.336976 O\n0.295341 0.913024 0.756908 O\n0.034727 0.756908 0.913024 O\n",
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{
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{
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{
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}