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{
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{
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{
"id": "mp-1222481",
"created_at": "2022-09-04T14:41:37.083534Z",
"structure_string": "Li1 Ce1 Mo2 O8\n1.0\n-2.655426 2.655426 5.735774\n2.655426 -2.655426 5.735774\n2.655426 2.655426 -5.735774\nLi Ce Mo O\n1 1 2 8\ndirect\n0.750000 0.250000 0.500000 Li\n0.500000 0.500000 0.000000 Ce\n0.250000 0.750000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.405433 0.516516 0.596311 O\n0.920206 0.809122 0.403689 O\n0.069114 0.165191 0.401529 O\n0.763662 0.667585 0.598471 O\n0.834809 0.236338 0.903923 O\n0.332415 0.930886 0.096077 O\n0.190878 0.594567 0.111084 O\n0.483484 0.079794 0.888916 O\n",
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{
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{
"id": "mp-1226643",
"created_at": "2022-09-04T14:41:53.014679Z",
"structure_string": "Co11 B4 Sb1 O20\n1.0\n3.116165 5.433673 0.000000\n-3.116165 5.433673 0.000000\n0.000000 4.639362 10.749142\nCo B Sb O\n11 4 1 20\ndirect\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.749734 0.749734 0.998549 Co\n0.250266 0.250266 0.001451 Co\n0.219836 0.717954 0.781743 Co\n0.717954 0.219836 0.781743 Co\n0.282046 0.780164 0.218257 Co\n0.780164 0.282046 0.218257 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.236176 0.236176 0.742262 B\n0.735908 0.735908 0.737477 B\n0.763824 0.763824 0.257738 B\n0.264092 0.264092 0.262523 B\n0.500000 0.500000 0.500000 Sb\n0.135914 0.638853 0.971261 O\n0.638853 0.135914 0.971261 O\n0.361147 0.864086 0.028739 O\n0.864086 0.361147 0.028739 O\n0.597738 0.597738 0.802119 O\n0.099258 0.099258 0.798668 O\n0.402262 0.402262 0.197881 O\n0.900742 0.900742 0.201332 O\n0.309362 0.782333 0.591467 O\n0.782333 0.309362 0.591467 O\n0.217667 0.690638 0.408533 O\n0.690638 0.217667 0.408533 O\n0.321613 0.321613 0.802252 O\n0.822281 0.822281 0.798715 O\n0.678387 0.678387 0.197748 O\n0.177719 0.177719 0.201285 O\n0.294254 0.294254 0.608814 O\n0.788784 0.788784 0.606519 O\n0.705746 0.705746 0.391186 O\n0.211216 0.211216 0.393481 O\n",
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{
"id": "mp-629430",
"created_at": "2022-09-04T14:41:32.556933Z",
"structure_string": "Sr8 Li16 Cr8 N24\n1.0\n7.362858 0.000000 0.000000\n0.000000 9.165502 0.000000\n0.000000 0.000000 10.556400\nSr Li Cr N\n8 16 8 24\ndirect\n0.914612 0.191926 0.081939 Sr\n0.085388 0.808074 0.918061 Sr\n0.585388 0.691926 0.918061 Sr\n0.414612 0.808074 0.418061 Sr\n0.914612 0.691926 0.418061 Sr\n0.414612 0.308074 0.081939 Sr\n0.085388 0.308074 0.581939 Sr\n0.585388 0.191926 0.581939 Sr\n0.288818 0.619912 0.683919 Li\n0.096132 0.381997 0.280182 Li\n0.596132 0.618003 0.219818 Li\n0.711182 0.380088 0.316081 Li\n0.403868 0.381997 0.780182 Li\n0.788818 0.380088 0.816081 Li\n0.211182 0.119912 0.316081 Li\n0.903868 0.118003 0.780182 Li\n0.903868 0.618003 0.719818 Li\n0.096132 0.881997 0.219818 Li\n0.403868 0.881997 0.719818 Li\n0.288818 0.119912 0.816081 Li\n0.788818 0.880088 0.683919 Li\n0.596132 0.118003 0.280182 Li\n0.211182 0.619912 0.183919 Li\n0.711182 0.880088 0.183919 Li\n0.606134 0.547683 0.582240 Cr\n0.106134 0.952317 0.582240 Cr\n0.893866 0.047683 0.417760 Cr\n0.393866 0.452317 0.417760 Cr\n0.106134 0.452317 0.917760 Cr\n0.606134 0.047683 0.917760 Cr\n0.893866 0.547683 0.082240 Cr\n0.393866 0.952317 0.082240 Cr\n0.601947 0.067914 0.096092 N\n0.922553 0.216609 0.344416 N\n0.794169 0.450904 0.625031 N\n0.101947 0.932086 0.403908 N\n0.577447 0.216609 0.844416 N\n0.398053 0.432086 0.596092 N\n0.705831 0.450904 0.125031 N\n0.922553 0.716609 0.155584 N\n0.294169 0.549096 0.874969 N\n0.205831 0.549096 0.374969 N\n0.077447 0.783391 0.655584 N\n0.422553 0.283391 0.344416 N\n0.101947 0.432086 0.096092 N\n0.577447 0.716609 0.655584 N\n0.422553 0.783391 0.155584 N\n0.205831 0.049096 0.125031 N\n0.077447 0.283391 0.844416 N\n0.601947 0.567914 0.403908 N\n0.794169 0.950904 0.874969 N\n0.294169 0.049096 0.625031 N\n0.398053 0.932086 0.903908 N\n0.898053 0.567914 0.903908 N\n0.898053 0.067914 0.596092 N\n0.705831 0.950904 0.374969 N\n",
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{
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"structure_string": "Te2 C8 Cl4 F12\n1.0\n5.620182 4.926214 0.000000\n-5.620182 4.926214 0.000000\n0.000000 2.571045 8.881864\nTe C Cl F\n2 8 4 12\ndirect\n0.423385 0.576615 0.750000 Te\n0.576615 0.423385 0.250000 Te\n0.037064 0.431341 0.705622 C\n0.416900 0.836666 0.814100 C\n0.163334 0.583100 0.685900 C\n0.431341 0.037064 0.205622 C\n0.962936 0.568659 0.294378 C\n0.583100 0.163334 0.185900 C\n0.568659 0.962936 0.794378 C\n0.836666 0.416900 0.314100 C\n0.251661 0.427642 0.015472 Cl\n0.748339 0.572358 0.984528 Cl\n0.427642 0.251661 0.515472 Cl\n0.572358 0.748339 0.484528 Cl\n0.054788 0.264006 0.772202 F\n0.945212 0.735994 0.227798 F\n0.735994 0.945212 0.727798 F\n0.264006 0.054788 0.272202 F\n0.747579 0.132700 0.115453 F\n0.121495 0.568005 0.340255 F\n0.878505 0.431995 0.659745 F\n0.132700 0.747579 0.615453 F\n0.867300 0.252421 0.384547 F\n0.568005 0.121495 0.840255 F\n0.431995 0.878505 0.159745 F\n0.252421 0.867300 0.884547 F\n",
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{
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"structure_string": "Zr4 Cr4 Cu4 S16\n1.0\n11.536533 0.000000 0.000000\n0.000000 3.557981 0.000000\n0.000000 0.000000 12.653777\nZr Cr Cu S\n4 4 4 16\ndirect\n0.149478 0.250000 0.674652 Zr\n0.850522 0.750000 0.325348 Zr\n0.350522 0.750000 0.174652 Zr\n0.649478 0.250000 0.825348 Zr\n0.110165 0.250000 0.064866 Cr\n0.889835 0.750000 0.935134 Cr\n0.389835 0.750000 0.564866 Cr\n0.610165 0.250000 0.435134 Cr\n0.109377 0.750000 0.485982 Cu\n0.890623 0.250000 0.514018 Cu\n0.390623 0.250000 0.985982 Cu\n0.609377 0.750000 0.014018 Cu\n0.994050 0.750000 0.630906 S\n0.005950 0.250000 0.369094 S\n0.505950 0.250000 0.130906 S\n0.494050 0.750000 0.869094 S\n0.020593 0.250000 0.889147 S\n0.979407 0.750000 0.110853 S\n0.479407 0.750000 0.389147 S\n0.520593 0.250000 0.610853 S\n0.215135 0.250000 0.235735 S\n0.784865 0.750000 0.764265 S\n0.284865 0.750000 0.735735 S\n0.715135 0.250000 0.264265 S\n0.242972 0.750000 0.001858 S\n0.757028 0.250000 0.998142 S\n0.257028 0.250000 0.501858 S\n0.742972 0.750000 0.498142 S\n",
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{
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"structure_string": "Fe3 Co3 Te2 O16\n1.0\n5.930639 0.000000 0.000000\n2.916853 5.169614 0.000000\n0.329643 0.059198 9.199700\nFe Co Te O\n3 3 2 16\ndirect\n0.839675 0.827310 0.793529 Fe\n0.667218 0.174291 0.291622 Fe\n0.173024 0.668518 0.292081 Fe\n0.845754 0.333796 0.794427 Co\n0.349549 0.828114 0.783758 Co\n0.176182 0.173334 0.283733 Co\n0.661598 0.668238 0.511440 Te\n0.336267 0.330648 0.010345 Te\n0.825006 0.347222 0.403407 O\n0.497193 0.538814 0.659751 O\n0.644182 0.673090 0.892202 O\n0.028321 0.990190 0.703219 O\n0.014725 0.012299 0.200005 O\n0.344775 0.833563 0.399593 O\n0.947723 0.520015 0.650946 O\n0.507773 0.959299 0.657898 O\n0.181032 0.166117 0.897293 O\n0.823796 0.831060 0.402847 O\n0.464317 0.039656 0.158247 O\n0.041623 0.460809 0.158419 O\n0.320436 0.324671 0.390728 O\n0.658363 0.170260 0.899564 O\n0.478655 0.474521 0.146714 O\n0.173013 0.653968 0.902513 O\n",
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"formula_full": "Fe3 Co3 Te2 O16",
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},
{
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"structure_string": "Li14 Mn8 Co2 O24\n1.0\n-5.876992 0.082035 0.543070\n3.334751 0.115042 9.548588\n0.298763 7.532450 3.276352\nLi Mn Co O\n14 8 2 24\ndirect\n0.666696 0.333319 0.833339 Li\n0.166705 0.333307 0.833366 Li\n0.666732 0.833281 0.333364 Li\n0.166735 0.833299 0.333340 Li\n0.666649 0.833320 0.833331 Li\n0.166655 0.833320 0.833336 Li\n0.508679 0.507331 0.998130 Li\n0.015774 0.508021 0.000388 Li\n0.317563 0.158662 0.666254 Li\n0.824645 0.159335 0.668571 Li\n0.488734 0.994881 0.526562 Li\n0.007365 0.000893 0.524517 Li\n0.844580 0.671802 0.140107 Li\n0.326050 0.665774 0.142152 Li\n0.989731 0.995500 0.992633 Mn\n0.491135 0.995911 0.992084 Mn\n0.343617 0.671179 0.674011 Mn\n0.842187 0.670788 0.674603 Mn\n0.503215 0.502130 0.493430 Mn\n0.007815 0.503787 0.491577 Mn\n0.325471 0.162916 0.175188 Mn\n0.830081 0.164535 0.173298 Mn\n0.666680 0.333343 0.333317 Co\n0.166644 0.333349 0.333339 Co\n0.309560 0.149334 0.935199 O\n0.807495 0.148827 0.931094 O\n0.525832 0.517837 0.735530 O\n0.023792 0.517341 0.731451 O\n0.355199 0.662354 0.431255 O\n0.847316 0.659998 0.430339 O\n0.485964 0.006689 0.236322 O\n0.978130 0.004315 0.235361 O\n0.174393 0.323511 0.098843 O\n0.680383 0.324779 0.102726 O\n0.652917 0.341871 0.563929 O\n0.158863 0.343142 0.567844 O\n0.653785 0.812932 0.595175 O\n0.154286 0.812708 0.593358 O\n0.679566 0.853720 0.071490 O\n0.179085 0.853961 0.073279 O\n0.479129 0.477534 0.261788 O\n0.009917 0.495005 0.258366 O\n0.323402 0.171687 0.408302 O\n0.854188 0.189137 0.404825 O\n0.000009 0.002821 0.767666 O\n0.499037 0.004119 0.766442 O\n0.834300 0.662557 0.900213 O\n0.333313 0.663839 0.898965 O\n",
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"elements": [
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],
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"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
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{
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"created_at": "2022-09-04T14:41:37.137164Z",
"structure_string": "Ca3 Ho1 Mn4 O12\n1.0\n7.578857 0.000000 0.000000\n0.000000 5.347414 0.000000\n0.000000 0.001742 5.467629\nCa Ho Mn O\n3 1 4 12\ndirect\n0.500000 0.008859 0.049208 Ca\n0.000000 0.508920 0.455084 Ca\n0.000000 0.989953 0.952565 Ca\n0.500000 0.487057 0.560769 Ho\n0.249118 0.997960 0.499144 Mn\n0.751109 0.501782 0.003857 Mn\n0.750882 0.997960 0.499144 Mn\n0.248891 0.501782 0.003857 Mn\n0.500000 0.580793 0.972832 O\n0.500000 0.905795 0.479700 O\n0.000000 0.417781 0.023411 O\n0.000000 0.078943 0.524571 O\n0.300325 0.213613 0.784675 O\n0.701041 0.299590 0.297935 O\n0.790361 0.798788 0.203699 O\n0.215566 0.699217 0.701619 O\n0.209639 0.798788 0.203699 O\n0.784434 0.699217 0.701619 O\n0.699675 0.213613 0.784675 O\n0.298959 0.299590 0.297935 O\n",
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"elements": [
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],
"chemical_system": "Ca-Ho-Mn-O",
"density": 5.222504197542316,
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"volume": 221.58816436594788,
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"formula_full": "Ca3 Ho1 Mn4 O12",
"formula_reduced": "Ca3HoMn4O12",
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{
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"structure_string": "Sr3 Ta1 H1 O6\n1.0\n-4.237091 0.006419 -4.324104\n-4.237091 0.006419 4.324104\n4.079047 4.748176 0.000000\nSr Ta H O\n3 1 1 6\ndirect\n0.340679 0.783034 0.625103 Sr\n0.783034 0.340679 0.625103 Sr\n0.006209 0.006209 0.986398 Sr\n0.497835 0.497835 0.017242 Ta\n0.212302 0.212302 0.533569 H\n0.185758 0.185758 0.799967 O\n0.630017 0.630017 0.405102 O\n0.719151 0.719151 0.996827 O\n0.298242 0.298242 0.477252 O\n0.676564 0.230260 0.916743 O\n0.230260 0.676564 0.916743 O\n",
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],
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"formula_full": "Sr3 Ta1 H1 O6",
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]
}