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{
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{
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{
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"structure_string": "Ba1 Mg30 Si1 O32\n1.0\n8.724332 0.000000 0.000000\n0.000000 8.724332 0.000000\n0.000000 0.000000 8.621189\nBa Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262161 0.000000 0.242980 Mg\n0.262161 0.000000 0.757020 Mg\n0.737839 0.000000 0.242980 Mg\n0.737839 0.000000 0.757020 Mg\n0.251644 0.500000 0.248971 Mg\n0.251644 0.500000 0.751029 Mg\n0.748356 0.500000 0.248971 Mg\n0.748356 0.500000 0.751029 Mg\n0.000000 0.262161 0.242980 Mg\n0.000000 0.262161 0.757020 Mg\n0.500000 0.251644 0.248971 Mg\n0.500000 0.251644 0.751029 Mg\n0.000000 0.737839 0.242980 Mg\n0.000000 0.737839 0.757020 Mg\n0.500000 0.748356 0.248971 Mg\n0.500000 0.748356 0.751029 Mg\n0.251710 0.251710 0.000000 Mg\n0.258141 0.258141 0.500000 Mg\n0.748290 0.251710 0.000000 Mg\n0.741859 0.258141 0.500000 Mg\n0.251710 0.748290 0.000000 Mg\n0.258141 0.741859 0.500000 Mg\n0.748290 0.748290 0.000000 Mg\n0.741859 0.741859 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.267564 0.000000 O\n0.000000 0.278252 0.500000 O\n0.500000 0.253601 0.000000 O\n0.500000 0.256186 0.500000 O\n0.000000 0.732436 0.000000 O\n0.000000 0.721748 0.500000 O\n0.500000 0.746399 0.000000 O\n0.500000 0.743814 0.500000 O\n0.249203 0.249203 0.250456 O\n0.249203 0.249203 0.749544 O\n0.750797 0.249203 0.250456 O\n0.750797 0.249203 0.749544 O\n0.249203 0.750797 0.250456 O\n0.249203 0.750797 0.749544 O\n0.750797 0.750797 0.250456 O\n0.750797 0.750797 0.749544 O\n0.000000 0.000000 0.217289 O\n0.000000 0.000000 0.782711 O\n0.500000 0.000000 0.247094 O\n0.500000 0.000000 0.752906 O\n0.000000 0.500000 0.247094 O\n0.000000 0.500000 0.752906 O\n0.500000 0.500000 0.249252 O\n0.500000 0.500000 0.750748 O\n0.267564 0.000000 0.000000 O\n0.278252 0.000000 0.500000 O\n0.732436 0.000000 0.000000 O\n0.721748 0.000000 0.500000 O\n0.253601 0.500000 0.000000 O\n0.256186 0.500000 0.500000 O\n0.746399 0.500000 0.000000 O\n0.743814 0.500000 0.500000 O\n",
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{
"id": "mp-1190754",
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"structure_string": "Cd2 B4 H16\n1.0\n5.864767 0.000000 0.000000\n0.000000 5.864767 0.000000\n0.000000 0.000000 6.172180\nCd B H\n2 4 16\ndirect\n0.500000 0.500000 0.491023 Cd\n0.000000 0.000000 0.991023 Cd\n0.235909 0.764091 0.729516 B\n0.764091 0.235909 0.729516 B\n0.735909 0.735909 0.229516 B\n0.264091 0.264091 0.229516 B\n0.045591 0.697850 0.786265 H\n0.954409 0.302150 0.786265 H\n0.545591 0.802150 0.286265 H\n0.454409 0.197850 0.286265 H\n0.302150 0.954409 0.786265 H\n0.697850 0.045591 0.786265 H\n0.802150 0.545591 0.286265 H\n0.197850 0.454409 0.286265 H\n0.372143 0.627857 0.808826 H\n0.627857 0.372143 0.808826 H\n0.872143 0.872143 0.308826 H\n0.127857 0.127857 0.308826 H\n0.222213 0.777787 0.533616 H\n0.777787 0.222213 0.533616 H\n0.722213 0.722213 0.033616 H\n0.277787 0.277787 0.033616 H\n",
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{
"id": "mp-1208085",
"created_at": "2022-09-04T14:48:31.214812Z",
"structure_string": "V2 Co4 P4 H6 N2 O18\n1.0\n6.238173 0.000000 0.000000\n0.000000 7.736010 0.000000\n0.000000 0.000000 9.849621\nV Co P H N O\n2 4 4 6 2 18\ndirect\n0.000000 0.204881 0.438443 V\n0.000000 0.795119 0.938443 V\n0.243888 0.501150 0.172594 Co\n0.756112 0.498850 0.672594 Co\n0.243888 0.498850 0.672594 Co\n0.756112 0.501150 0.172594 Co\n0.500000 0.329911 0.427096 P\n0.500000 0.670089 0.927096 P\n0.000000 0.169838 0.118475 P\n0.000000 0.830162 0.618475 P\n0.060223 0.705604 0.338752 H\n0.939777 0.294396 0.838752 H\n0.060223 0.294396 0.838752 H\n0.939777 0.705604 0.338752 H\n0.000000 0.389668 0.325518 H\n0.000000 0.610332 0.825519 H\n0.500000 0.990173 0.169373 N\n0.500000 0.009827 0.669373 N\n0.300528 0.214992 0.415219 O\n0.699472 0.785008 0.915219 O\n0.300528 0.785008 0.915219 O\n0.699472 0.214992 0.415219 O\n0.000000 0.089702 0.263117 O\n0.000000 0.910298 0.763117 O\n0.204033 0.277574 0.093775 O\n0.795967 0.722426 0.593775 O\n0.204033 0.722426 0.593775 O\n0.795967 0.277574 0.093775 O\n0.000000 0.013627 0.018497 O\n0.000000 0.986373 0.518497 O\n0.500000 0.590435 0.071051 O\n0.500000 0.409565 0.571051 O\n0.500000 0.469292 0.313211 O\n0.500000 0.530708 0.813211 O\n0.000000 0.647036 0.079238 O\n0.000000 0.352964 0.579238 O\n",
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{
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{
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{
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{
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{
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{
"id": "mp-1227234",
"created_at": "2022-09-04T14:48:31.232783Z",
"structure_string": "Ca1 Mn2 Cu3 Ru2 O12\n1.0\n3.705371 5.307717 0.000000\n-3.705371 5.307717 0.000000\n0.000000 5.297985 5.340155\nCa Mn Cu Ru O\n1 2 3 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.697789 0.314043 0.163440 O\n0.685957 0.302211 0.836560 O\n0.314043 0.697789 0.163440 O\n0.302211 0.685957 0.836560 O\n0.828601 0.828601 0.479691 O\n0.170964 0.170964 0.137783 O\n0.829036 0.829036 0.862217 O\n0.171399 0.171399 0.520309 O\n0.521009 0.861485 0.301305 O\n0.861485 0.521009 0.301305 O\n0.138515 0.478991 0.698695 O\n0.478991 0.138515 0.698695 O\n",
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{
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"structure_string": "Ti2 Cl6\n1.0\n6.545849 -3.056909 0.000000\n6.545849 3.056909 0.000000\n5.118274 0.000000 5.098638\nTi Cl\n2 6\ndirect\n0.666572 0.666572 0.666572 Ti\n0.333428 0.333428 0.333428 Ti\n0.925814 0.572652 0.278420 Cl\n0.278420 0.925814 0.572652 Cl\n0.427348 0.721580 0.074186 Cl\n0.721580 0.074186 0.427348 Cl\n0.074186 0.427348 0.721580 Cl\n0.572652 0.278420 0.925814 Cl\n",
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}