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{
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{
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"formula_full": "Sr1 Mg6 V1 O8",
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},
{
"id": "mp-1047187",
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"structure_string": "Mg2 Mn1 W1 O6\n1.0\n3.194618 4.554391 0.000000\n-3.194618 4.554391 0.000000\n0.000000 2.911769 4.442515\nMg Mn W O\n2 1 1 6\ndirect\n0.926518 0.658052 0.748066 Mg\n0.341948 0.073482 0.251934 Mg\n0.542932 0.457068 0.500000 Mn\n0.944886 0.055114 0.000000 W\n0.187694 0.306362 0.903898 O\n0.693638 0.812306 0.096102 O\n0.182731 0.892002 0.701619 O\n0.107998 0.817269 0.298381 O\n0.811497 0.372587 0.700310 O\n0.627413 0.188503 0.299690 O\n",
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"formula_full": "Mg2 Mn1 W1 O6",
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{
"id": "mp-1228463",
"created_at": "2022-09-04T14:42:27.580233Z",
"structure_string": "Ba3 Sr5 Tl5 Cu3 O19\n1.0\n3.767885 0.000000 0.000000\n0.000000 9.408275 0.000000\n0.000000 4.702440 15.409908\nBa Sr Tl Cu O\n3 5 5 3 19\ndirect\n0.500000 0.728990 0.127988 Ba\n0.500000 0.273117 0.874033 Ba\n0.500000 0.853035 0.874221 Ba\n0.500000 0.141711 0.127109 Sr\n0.500000 0.606252 0.370448 Sr\n0.500000 0.395703 0.627871 Sr\n0.500000 0.977137 0.627789 Sr\n0.500000 0.024964 0.369886 Sr\n0.000000 0.379750 0.230930 Tl\n0.000000 0.616010 0.767532 Tl\n0.000000 0.263239 0.474508 Tl\n0.000000 0.739077 0.523944 Tl\n0.000000 0.492758 0.005028 Tl\n0.000000 0.882765 0.252041 Cu\n0.000000 0.127654 0.747419 Cu\n0.000000 0.007784 0.000912 Cu\n0.000000 0.710940 0.002422 O\n0.000000 0.273875 0.008627 O\n0.000000 0.583483 0.260031 O\n0.000000 0.412152 0.738565 O\n0.000000 0.848612 0.738288 O\n0.000000 0.148152 0.254369 O\n0.500000 0.873860 0.258475 O\n0.500000 0.131053 0.739325 O\n0.500000 0.423461 0.132101 O\n0.500000 0.565426 0.866576 O\n0.000000 0.949721 0.128144 O\n0.000000 0.063585 0.873470 O\n0.000000 0.501427 0.498765 O\n0.000000 0.000458 0.498490 O\n0.000000 0.811273 0.379119 O\n0.000000 0.189881 0.618835 O\n0.500000 0.300075 0.396432 O\n0.500000 0.699090 0.601627 O\n0.500000 0.003530 0.004679 O\n",
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"density_atomic": 0.06407083089115424,
"volume": 546.2704246720199,
"volume_molar": 9.39919254399966,
"formula_full": "Ba3 Sr5 Tl5 Cu3 O19",
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{
"id": "mp-1206268",
"created_at": "2022-09-04T14:42:27.586629Z",
"structure_string": "Sc2 In4\n1.0\n2.263196 -6.826647 0.000000\n2.263196 6.826647 0.000000\n0.000000 0.000000 4.491156\nSc In\n2 4\ndirect\n0.844326 0.155674 0.500000 Sc\n0.155674 0.844326 0.500000 Sc\n0.675765 0.324235 0.000000 In\n0.324235 0.675765 0.000000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n",
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{
"id": "mp-555088",
"created_at": "2022-09-04T14:42:27.588884Z",
"structure_string": "Nd8 S6 Br12\n1.0\n3.465242 14.878501 0.000000\n-3.465242 14.878501 0.000000\n0.000000 0.585529 7.183160\nNd S Br\n8 6 12\ndirect\n0.252680 0.633304 0.985074 Nd\n0.477925 0.864187 0.906155 Nd\n0.522075 0.135813 0.093845 Nd\n0.747320 0.366696 0.014926 Nd\n0.135813 0.522075 0.593845 Nd\n0.633304 0.252680 0.485074 Nd\n0.864187 0.477925 0.406155 Nd\n0.366696 0.747320 0.514926 Nd\n0.434684 0.332411 0.790756 S\n0.550395 0.449605 0.750000 S\n0.667589 0.565316 0.709244 S\n0.565316 0.667589 0.209244 S\n0.332411 0.434684 0.290756 S\n0.449605 0.550395 0.250000 S\n0.841285 0.055190 0.110020 Br\n0.158715 0.944810 0.889980 Br\n0.749758 0.938268 0.445580 Br\n0.817749 0.652056 0.685212 Br\n0.061732 0.250242 0.054420 Br\n0.250242 0.061732 0.554420 Br\n0.944810 0.158715 0.389980 Br\n0.055190 0.841285 0.610020 Br\n0.938268 0.749758 0.945580 Br\n0.347944 0.182251 0.814788 Br\n0.652056 0.817749 0.185212 Br\n0.182251 0.347944 0.314788 Br\n",
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{
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"structure_string": "Li12 V6 P16 O58\n1.0\n9.830992 0.000000 0.000000\n-4.908007 8.532725 0.000000\n-0.001127 -0.008615 14.012600\nLi V P O\n12 6 16 58\ndirect\n0.093934 0.321668 0.436987 Li\n0.681641 0.771382 0.438579 Li\n0.326352 0.661217 0.113473 Li\n0.678094 0.910865 0.940407 Li\n0.095759 0.774570 0.942673 Li\n0.773827 0.091866 0.558013 Li\n0.230367 0.907949 0.435546 Li\n0.661925 0.328152 0.890306 Li\n0.321092 0.227975 0.560739 Li\n0.910950 0.681950 0.558193 Li\n0.770234 0.678508 0.061969 Li\n0.051751 0.077797 0.998725 Li\n0.565605 0.997611 0.748914 V\n0.434908 0.003733 0.243890 V\n0.996577 0.428147 0.248876 V\n0.001746 0.564044 0.753450 V\n0.426850 0.429763 0.753284 V\n0.562474 0.561051 0.249666 V\n0.223126 0.311805 0.160204 P\n0.085721 0.318636 0.657485 P\n0.679444 0.763863 0.659554 P\n0.332875 0.666499 0.873275 P\n0.334549 0.668560 0.370400 P\n0.683627 0.908610 0.156089 P\n0.765822 0.085217 0.340032 P\n0.090187 0.772131 0.157491 P\n0.911714 0.221467 0.841613 P\n0.231632 0.913163 0.656042 P\n0.312403 0.088373 0.840314 P\n0.668287 0.333924 0.629993 P\n0.665890 0.333169 0.128457 P\n0.318516 0.230302 0.343372 P\n0.913807 0.680575 0.341058 P\n0.771221 0.681016 0.843603 P\n0.243591 0.243394 0.434164 O\n0.249312 0.331573 0.660705 O\n0.994323 0.205590 0.924857 O\n0.083362 0.343609 0.167093 O\n0.374060 0.476183 0.168650 O\n0.326294 0.519039 0.830260 O\n0.521975 0.614734 0.680142 O\n0.762840 0.766600 0.930625 O\n0.664899 0.743016 0.159703 O\n0.186411 0.514675 0.334650 O\n0.100358 0.479153 0.676837 O\n0.484673 0.666552 0.326508 O\n0.328754 0.670902 0.980219 O\n0.347031 0.678018 0.476479 O\n0.483924 0.814467 0.835700 O\n0.105596 0.624097 0.169610 O\n0.181857 0.670821 0.833804 O\n0.662596 0.912094 0.659354 O\n0.787498 0.997062 0.248941 O\n0.756878 0.995926 0.429563 O\n0.765422 0.990899 0.066588 O\n0.517764 0.890515 0.169782 O\n0.332467 0.815189 0.326326 O\n0.738731 0.079565 0.836669 O\n0.381789 0.904243 0.679379 O\n0.085468 0.749434 0.658881 O\n0.988589 0.203525 0.744031 O\n0.000055 0.244884 0.566227 O\n0.004538 0.757225 0.430668 O\n0.915128 0.249400 0.340507 O\n0.617379 0.095756 0.323994 O\n0.254077 0.915955 0.158500 O\n0.673106 0.184619 0.667862 O\n0.475659 0.101436 0.831875 O\n0.210368 0.997288 0.921936 O\n0.248619 0.999755 0.564677 O\n0.216005 0.010925 0.742572 O\n0.332572 0.081500 0.340117 O\n0.808859 0.331306 0.171095 O\n0.898519 0.372433 0.833705 O\n0.515939 0.185105 0.169283 O\n0.665393 0.340105 0.021822 O\n0.680421 0.344705 0.524098 O\n0.515430 0.328106 0.668335 O\n0.907267 0.523293 0.321383 O\n0.817254 0.482769 0.677247 O\n0.341087 0.258209 0.836541 O\n0.205269 0.213799 0.256072 O\n0.214072 0.217610 0.076205 O\n0.478768 0.377493 0.325352 O\n0.664320 0.484345 0.167704 O\n0.626884 0.516413 0.829582 O\n0.920360 0.666846 0.845043 O\n0.997401 0.766480 0.069957 O\n0.001290 0.789187 0.250091 O\n0.749181 0.661900 0.342030 O\n0.755784 0.751724 0.569525 O\n0.790280 0.785671 0.749920 O\n",
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{
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{
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