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{
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{
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{
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"structure_string": "V8 Co8 O28\n1.0\n8.467621 0.000000 0.000000\n0.000000 6.693840 0.000000\n0.000000 1.718038 9.426478\nV Co O\n8 8 28\ndirect\n0.258627 0.639193 0.031001 V\n0.758627 0.360807 0.468999 V\n0.741373 0.360807 0.968999 V\n0.241373 0.639193 0.531001 V\n0.518547 0.805919 0.313620 V\n0.018547 0.194081 0.186380 V\n0.481453 0.194081 0.686380 V\n0.981453 0.805919 0.813620 V\n0.621326 0.853807 0.963399 Co\n0.121326 0.146193 0.536601 Co\n0.378674 0.146193 0.036601 Co\n0.878674 0.853807 0.463399 Co\n0.887312 0.694158 0.180240 Co\n0.387312 0.305842 0.319760 Co\n0.112688 0.305842 0.819760 Co\n0.612688 0.694158 0.680240 Co\n0.631381 0.393458 0.623577 O\n0.131381 0.606542 0.876423 O\n0.368619 0.606542 0.376423 O\n0.868619 0.393458 0.123577 O\n0.628515 0.572082 0.896032 O\n0.128515 0.427918 0.603968 O\n0.371485 0.427918 0.103968 O\n0.871485 0.572082 0.396032 O\n0.868776 0.828236 0.960020 O\n0.368776 0.171764 0.539980 O\n0.131224 0.171764 0.039980 O\n0.631224 0.828236 0.460020 O\n0.858509 0.746169 0.681682 O\n0.358509 0.253831 0.818318 O\n0.141491 0.253831 0.318318 O\n0.641491 0.746169 0.181682 O\n0.876959 0.320602 0.848699 O\n0.376959 0.679398 0.651301 O\n0.123041 0.679398 0.151301 O\n0.623041 0.320602 0.348699 O\n0.582379 0.970540 0.747472 O\n0.082379 0.029460 0.752528 O\n0.417621 0.029460 0.252528 O\n0.917621 0.970540 0.247472 O\n0.878958 0.146788 0.505625 O\n0.378958 0.853212 0.994375 O\n0.121042 0.853212 0.494375 O\n0.621042 0.146788 0.005625 O\n",
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{
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"structure_string": "Y1 U1 Cr4 Si4\n1.0\n3.879800 0.000000 0.000000\n0.000000 3.879800 0.000000\n0.000000 0.000000 10.485233\nY U Cr Si\n1 1 4 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.244591 Cr\n0.500000 0.000000 0.755409 Cr\n0.500000 0.000000 0.244591 Cr\n0.000000 0.500000 0.755409 Cr\n0.500000 0.500000 0.112916 Si\n0.000000 0.000000 0.618286 Si\n0.000000 0.000000 0.381714 Si\n0.500000 0.500000 0.887084 Si\n",
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{
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"structure_string": "Ba2 Sr1 U1 O6\n1.0\n0.000000 4.496263 4.496263\n4.496263 0.000000 4.496263\n4.496263 4.496263 0.000000\nBa Sr U O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 U\n0.767760 0.767760 0.232240 O\n0.232240 0.767760 0.232240 O\n0.767760 0.232240 0.232240 O\n0.232240 0.232240 0.767760 O\n0.767760 0.232240 0.767760 O\n0.232240 0.767760 0.767760 O\n",
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{
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{
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"structure_string": "Eu1 Fe2 Si2\n1.0\n-2.006455 2.006455 4.923817\n2.006455 -2.006455 4.923817\n2.006455 2.006455 -4.923817\nEu Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.358756 0.358756 0.000000 Si\n0.641244 0.641244 0.000000 Si\n",
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{
"id": "mp-754240",
"created_at": "2022-09-04T14:41:23.406398Z",
"structure_string": "Ca2 Sm4 O8\n1.0\n0.000000 4.950784 4.950784\n4.950784 0.000000 4.950784\n4.950784 4.950784 0.000000\nCa Sm O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.125000 0.125000 0.125000 Sm\n0.625000 0.125000 0.125000 Sm\n0.125000 0.625000 0.125000 Sm\n0.125000 0.125000 0.625000 Sm\n0.363642 0.363642 0.909073 O\n0.909073 0.363642 0.363642 O\n0.363642 0.909073 0.363642 O\n0.886358 0.886358 0.886358 O\n0.363642 0.363642 0.363642 O\n0.886358 0.340927 0.886358 O\n0.340927 0.886358 0.886358 O\n0.886358 0.886358 0.340927 O\n",
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{
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"structure_string": "Pu2 P4 H4 C2 O12\n1.0\n0.111118 0.000000 -5.419324\n7.745749 0.000000 2.166547\n-3.928434 -6.919892 1.626388\nPu P H C O\n2 4 4 2 12\ndirect\n0.766577 0.766577 0.533154 Pu\n0.233423 0.233423 0.466846 Pu\n0.735265 0.367421 0.232962 P\n0.502303 0.134460 0.767038 P\n0.264735 0.632579 0.767038 P\n0.497697 0.865540 0.232962 P\n0.335308 0.097230 0.000000 H\n0.664692 0.902770 0.000000 H\n0.340159 0.317736 0.000000 H\n0.659841 0.682264 0.000000 H\n0.463074 0.227428 0.000000 C\n0.536926 0.772572 0.000000 C\n0.410507 0.608645 0.617116 O\n0.793391 0.991529 0.382884 O\n0.589493 0.391355 0.382884 O\n0.206609 0.008471 0.617116 O\n0.876873 0.582700 0.281922 O\n0.594951 0.300778 0.718078 O\n0.123127 0.417300 0.718078 O\n0.405049 0.699222 0.281922 O\n0.068774 0.739573 0.756377 O\n0.312397 0.983196 0.243623 O\n0.931226 0.260427 0.243623 O\n0.687603 0.016804 0.756377 O\n",
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{
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"structure_string": "Nd8 Mg2 Si8 C8 O44\n1.0\n5.987355 0.000000 0.000000\n0.000000 10.422675 0.000000\n0.000000 3.209330 14.293542\nNd Mg Si C O\n8 2 8 8 44\ndirect\n0.906725 0.727348 0.921003 Nd\n0.093275 0.272652 0.078997 Nd\n0.406725 0.272652 0.578997 Nd\n0.593275 0.727348 0.421003 Nd\n0.016516 0.775051 0.649428 Nd\n0.983484 0.224949 0.350572 Nd\n0.516516 0.224949 0.850572 Nd\n0.483484 0.775051 0.149428 Nd\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.510689 0.721068 0.783424 Si\n0.489311 0.278932 0.216576 Si\n0.010689 0.278932 0.716576 Si\n0.989311 0.721068 0.283424 Si\n0.015852 0.437532 0.875167 Si\n0.984148 0.562468 0.124833 Si\n0.515852 0.562468 0.624833 Si\n0.484148 0.437532 0.375167 Si\n0.282390 0.928957 0.821881 C\n0.717610 0.071043 0.178119 C\n0.782390 0.071043 0.678119 C\n0.217610 0.928957 0.321881 C\n0.500000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.034905 0.349742 0.607059 O\n0.965095 0.650258 0.392941 O\n0.534905 0.650258 0.892941 O\n0.465095 0.349742 0.107059 O\n0.091434 0.932510 0.858289 O\n0.908566 0.067490 0.141711 O\n0.591434 0.067490 0.641711 O\n0.408566 0.932510 0.358289 O\n0.299477 0.832023 0.769685 O\n0.700523 0.167977 0.230315 O\n0.799477 0.167977 0.730315 O\n0.200523 0.832023 0.269685 O\n0.328765 0.597182 0.539648 O\n0.671235 0.402818 0.460352 O\n0.828765 0.402818 0.960352 O\n0.171235 0.597182 0.039648 O\n0.748457 0.789570 0.756141 O\n0.251543 0.210430 0.243859 O\n0.248457 0.210430 0.743859 O\n0.751543 0.789570 0.256141 O\n0.426028 0.896387 0.540012 O\n0.573972 0.103613 0.459988 O\n0.926028 0.103613 0.959988 O\n0.073972 0.896387 0.040012 O\n0.533235 0.407677 0.671881 O\n0.466765 0.592323 0.328119 O\n0.033235 0.592323 0.828119 O\n0.966765 0.407677 0.171881 O\n0.873644 0.900449 0.503411 O\n0.126356 0.099551 0.496589 O\n0.373644 0.099551 0.996589 O\n0.626356 0.900449 0.003411 O\n0.257048 0.371903 0.920382 O\n0.742952 0.628097 0.079618 O\n0.757048 0.628097 0.579618 O\n0.242952 0.371903 0.420382 O\n0.419033 0.642096 0.705183 O\n0.580967 0.357904 0.294817 O\n0.919033 0.357904 0.794817 O\n0.080967 0.642096 0.205183 O\n0.951084 0.004442 0.670722 O\n0.048916 0.995558 0.329278 O\n0.451084 0.995558 0.829278 O\n0.548916 0.004442 0.170722 O\n",
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"elements": [
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"formula_full": "Nd8 Mg2 Si8 C8 O44",
"formula_reduced": "Nd4MgSi4(C2O11)2",
"formula_anonymous": "AB4C4D4E22",
"energy": -566.26811843,
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"updated_at": "2021-11-28T01:37:25.270000Z",
"spacegroup": 14
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{
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"created_at": "2022-09-04T14:40:39.356243Z",
"structure_string": "Ba1 Ce1 O3\n1.0\n4.474193 0.000000 0.000000\n0.000000 4.474193 0.000000\n0.000000 0.000000 4.474193\nBa Ce O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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"elements": [
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"volume": 89.56619857936725,
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"formula_full": "Ba1 Ce1 O3",
"formula_reduced": "BaCeO3",
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"updated_at": "2021-11-28T01:35:06.382000Z",
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}
]
}