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{
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"spacegroup": 63
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{
"id": "mp-1183410",
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"structure_string": "Ba10 V10 O28\n1.0\n5.894103 0.000968 -0.000893\n2.946053 5.118190 12.156957\n-0.001680 -10.179732 -0.023419\nBa V O\n10 10 28\ndirect\n0.957119 0.000849 0.000307 Ba\n0.458008 0.999175 0.499712 Ba\n0.110598 0.767183 0.550918 Ba\n0.610976 0.767657 0.051258 Ba\n0.878778 0.232320 0.448695 Ba\n0.378056 0.232836 0.949104 Ba\n0.283161 0.424600 0.379240 Ba\n0.784299 0.424282 0.878667 Ba\n0.708616 0.575756 0.621475 Ba\n0.207366 0.575411 0.120832 Ba\n0.739450 0.500025 0.250085 V\n0.241786 0.500042 0.750134 V\n0.136686 0.714726 0.857340 V\n0.638749 0.711425 0.356897 V\n0.850675 0.288588 0.143043 V\n0.352516 0.285289 0.642631 V\n0.432166 0.129076 0.230987 V\n0.931412 0.128121 0.730866 V\n0.559159 0.871877 0.769065 V\n0.060902 0.870927 0.268939 V\n0.922047 0.601499 0.375204 O\n0.418303 0.603011 0.875222 O\n0.522517 0.396559 0.624543 O\n0.024086 0.398438 0.125048 O\n0.196393 0.606475 0.652624 O\n0.698620 0.602004 0.149566 O\n0.800830 0.398028 0.350541 O\n0.302604 0.393596 0.847446 O\n0.467314 0.596451 0.376474 O\n0.971928 0.598661 0.878378 O\n0.071474 0.401699 0.621995 O\n0.564310 0.403566 0.123326 O\n0.154680 0.179975 0.172319 O\n0.654615 0.177457 0.670622 O\n0.331834 0.822487 0.829261 O\n0.834580 0.819899 0.327495 O\n0.400675 0.192543 0.430427 O\n0.898286 0.194814 0.930643 O\n0.593181 0.805181 0.569295 O\n0.093562 0.807407 0.069446 O\n0.641543 0.199031 0.182322 O\n0.140673 0.196623 0.679557 O\n0.836893 0.803381 0.820432 O\n0.340288 0.801042 0.317673 O\n0.080102 0.989498 0.668164 O\n0.579114 0.990253 0.166547 O\n0.068946 0.009748 0.333430 O\n0.569334 0.010506 0.831798 O\n",
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{
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"structure_string": "Ti2 Co1 Mo1\n1.0\n-4.204258 5.495530 8.030642\n4.204258 -5.495530 8.030642\n4.204258 5.495530 -8.030642\nTi Co Mo\n2 1 1\ndirect\n0.000000 0.243579 0.243579 Ti\n0.000000 0.756421 0.756421 Ti\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Mo\n",
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"formula_full": "Ti2 Co1 Mo1",
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{
"id": "mp-1216293",
"created_at": "2022-09-04T14:39:05.239279Z",
"structure_string": "U1 Bi4 W1 O12\n1.0\n3.988045 0.000000 0.000000\n0.000000 3.988045 0.000000\n0.000000 0.000000 16.549679\nU Bi W O\n1 4 1 12\ndirect\n0.500000 0.500000 0.500000 U\n0.500000 0.500000 0.173326 Bi\n0.000000 0.000000 0.680259 Bi\n0.000000 0.000000 0.319741 Bi\n0.500000 0.500000 0.826674 Bi\n0.000000 0.000000 0.000000 W\n0.000000 0.500000 0.246996 O\n0.500000 0.000000 0.753004 O\n0.500000 0.000000 0.246996 O\n0.000000 0.500000 0.753004 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.376232 O\n0.000000 0.000000 0.884399 O\n0.000000 0.000000 0.115601 O\n0.500000 0.500000 0.623768 O\n",
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{
"id": "mp-761019",
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"structure_string": "Hf8 N8 O4\n1.0\n6.782141 0.000000 0.000000\n0.000000 5.831327 0.000000\n0.000000 0.027504 5.918799\nHf N O\n8 8 4\ndirect\n0.118612 0.745706 0.422222 Hf\n0.132790 0.230214 0.092634 Hf\n0.367210 0.230214 0.592634 Hf\n0.381388 0.745706 0.922222 Hf\n0.632790 0.769786 0.407366 Hf\n0.618612 0.254294 0.077778 Hf\n0.881388 0.254294 0.577778 Hf\n0.867210 0.769786 0.907366 Hf\n0.126552 0.996314 0.741261 N\n0.132659 0.368234 0.412613 N\n0.373448 0.996314 0.241261 N\n0.367341 0.368234 0.912613 N\n0.626552 0.003686 0.758739 N\n0.632659 0.631766 0.087387 N\n0.867341 0.631766 0.587387 N\n0.873448 0.003686 0.258739 N\n0.117095 0.653193 0.080592 O\n0.382905 0.653193 0.580592 O\n0.617095 0.346807 0.419408 O\n0.882905 0.346807 0.919408 O\n",
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{
"id": "mp-774341",
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"structure_string": "Na40 Co8 H8 O32\n1.0\n9.984080 0.000000 0.000000\n0.000000 10.129832 0.000000\n0.000000 0.000000 11.916278\nNa Co H O\n40 8 8 32\ndirect\n0.986491 0.588895 0.212402 Na\n0.486491 0.911105 0.287598 Na\n0.013509 0.088895 0.787598 Na\n0.513509 0.411105 0.712402 Na\n0.013509 0.411105 0.787598 Na\n0.513509 0.088895 0.712402 Na\n0.986491 0.911105 0.212402 Na\n0.486491 0.588895 0.287598 Na\n0.073247 0.435104 0.411742 Na\n0.573247 0.064896 0.088258 Na\n0.926753 0.935104 0.588258 Na\n0.426753 0.564896 0.911742 Na\n0.926753 0.564896 0.588258 Na\n0.426753 0.935104 0.911742 Na\n0.073247 0.064896 0.411742 Na\n0.573247 0.435104 0.088258 Na\n0.079017 0.750000 0.441912 Na\n0.579017 0.750000 0.058088 Na\n0.920983 0.250000 0.558088 Na\n0.420983 0.250000 0.941912 Na\n0.631095 0.565035 0.511053 Na\n0.131095 0.934965 0.988947 Na\n0.368905 0.065035 0.488947 Na\n0.868905 0.434965 0.011053 Na\n0.368905 0.434965 0.488947 Na\n0.868905 0.065035 0.011053 Na\n0.631095 0.934965 0.511053 Na\n0.131095 0.565035 0.988947 Na\n0.780612 0.419386 0.323263 Na\n0.280612 0.080614 0.176737 Na\n0.219388 0.919386 0.676737 Na\n0.719388 0.580614 0.823263 Na\n0.219388 0.580614 0.676737 Na\n0.719388 0.919386 0.823263 Na\n0.780612 0.080614 0.323263 Na\n0.280612 0.419386 0.176737 Na\n0.116530 0.250000 0.981956 Na\n0.616530 0.250000 0.518044 Na\n0.883470 0.750000 0.018044 Na\n0.383470 0.750000 0.481956 Na\n0.011879 0.250000 0.210550 Co\n0.511879 0.250000 0.289450 Co\n0.988121 0.750000 0.789450 Co\n0.488121 0.750000 0.710550 Co\n0.789101 0.750000 0.382225 Co\n0.289101 0.750000 0.117775 Co\n0.210899 0.250000 0.617775 Co\n0.710899 0.250000 0.882225 Co\n0.757034 0.367827 0.696949 H\n0.257034 0.132173 0.803051 H\n0.242966 0.867827 0.303051 H\n0.742966 0.632173 0.196949 H\n0.242966 0.632173 0.303051 H\n0.742966 0.867827 0.196949 H\n0.757034 0.132173 0.696949 H\n0.257034 0.367827 0.803051 H\n0.899984 0.598561 0.395172 O\n0.399984 0.901439 0.104828 O\n0.100016 0.098561 0.604828 O\n0.600016 0.401439 0.895172 O\n0.100016 0.401439 0.604828 O\n0.600016 0.098561 0.895172 O\n0.899984 0.901439 0.395172 O\n0.399984 0.598561 0.104828 O\n0.059852 0.099459 0.124526 O\n0.559852 0.400541 0.375474 O\n0.940148 0.599459 0.875474 O\n0.440148 0.900541 0.624526 O\n0.940148 0.900541 0.875474 O\n0.440148 0.599459 0.624526 O\n0.059852 0.400541 0.124526 O\n0.559852 0.099459 0.375474 O\n0.606250 0.750000 0.381086 O\n0.106250 0.750000 0.118914 O\n0.393750 0.250000 0.618914 O\n0.893750 0.250000 0.881086 O\n0.940455 0.250000 0.352095 O\n0.440455 0.250000 0.147905 O\n0.059545 0.750000 0.647905 O\n0.559545 0.750000 0.852095 O\n0.747094 0.417355 0.627026 O\n0.247094 0.082645 0.872974 O\n0.252906 0.917355 0.372974 O\n0.752906 0.582645 0.127026 O\n0.252906 0.582645 0.372974 O\n0.752906 0.917355 0.127026 O\n0.747094 0.082645 0.627026 O\n0.247094 0.417355 0.872974 O\n",
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{
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{
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