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{
"id": "mp-1568124",
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"structure_string": "V6 O2 F14\n1.0\n-0.006630 0.019527 4.024800\n7.713854 -0.014502 -2.025175\n-0.006345 10.006618 0.048659\nV O F\n6 2 14\ndirect\n0.679984 0.357614 0.927564 V\n0.323503 0.642957 0.427655 V\n0.542070 0.080530 0.249779 V\n0.456651 0.919530 0.749983 V\n0.675782 0.356824 0.572873 V\n0.319973 0.642790 0.072926 V\n0.710032 0.420507 0.749886 O\n0.290861 0.579633 0.250045 O\n0.038360 0.076143 0.249195 F\n0.961114 0.924470 0.749654 F\n0.555851 0.106565 0.615898 F\n0.561522 0.107885 0.883847 F\n0.432113 0.893571 0.116642 F\n0.452587 0.891894 0.384129 F\n0.624086 0.265362 0.114441 F\n0.634313 0.262239 0.384682 F\n0.359704 0.734736 0.615617 F\n0.381392 0.736694 0.885255 F\n0.200071 0.400093 0.966008 F\n0.197462 0.397073 0.533268 F\n0.801452 0.602152 0.033726 F\n0.801116 0.600739 0.466927 F\n",
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{
"id": "mp-754032",
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"structure_string": "Li8 Ni4 P8 O28\n1.0\n-0.000024 4.998339 -0.000225\n-8.808635 -0.001308 0.338983\n-1.363765 2.501089 12.850973\nLi Ni P O\n8 4 8 28\ndirect\n0.238243 0.436485 0.408723 Li\n0.738274 0.936576 0.408611 Li\n0.900946 0.311792 0.091703 Li\n0.401090 0.811827 0.091565 Li\n0.602546 0.184788 0.908385 Li\n0.102741 0.684873 0.908458 Li\n0.261288 0.064478 0.591641 Li\n0.761311 0.564234 0.591486 Li\n0.250086 0.750697 0.499790 Ni\n0.001926 0.998311 0.000086 Ni\n0.750302 0.250428 0.500356 Ni\n0.501553 0.498398 0.000202 Ni\n0.224000 0.390304 0.630369 P\n0.723801 0.890307 0.630039 P\n0.102840 0.358664 0.870415 P\n0.603426 0.858638 0.870160 P\n0.400218 0.137743 0.130233 P\n0.900275 0.637754 0.130196 P\n0.276735 0.110169 0.370195 P\n0.776719 0.610125 0.370137 P\n0.067829 0.374566 0.750350 O\n0.568291 0.874177 0.750128 O\n0.434068 0.122506 0.250511 O\n0.934090 0.622516 0.250453 O\n0.284760 0.492893 0.881934 O\n0.785178 0.992841 0.881706 O\n0.417305 0.256108 0.619267 O\n0.916751 0.756075 0.618323 O\n0.084345 0.244898 0.380695 O\n0.584443 0.744892 0.380589 O\n0.219834 0.003080 0.118529 O\n0.719732 0.503060 0.118527 O\n0.807538 0.368493 0.928072 O\n0.308205 0.868426 0.927820 O\n0.987929 0.380142 0.572108 O\n0.487376 0.880461 0.571920 O\n0.512729 0.120402 0.428539 O\n0.012697 0.620282 0.428423 O\n0.695375 0.128316 0.072507 O\n0.195372 0.628345 0.072491 O\n0.628597 0.453101 0.401465 O\n0.128743 0.953187 0.401401 O\n0.284216 0.294952 0.099283 O\n0.784281 0.794881 0.099212 O\n0.218817 0.201235 0.901065 O\n0.719526 0.701084 0.900819 O\n0.870022 0.047924 0.599744 O\n0.370025 0.547987 0.599761 O\n",
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"formula_full": "Li8 Ni4 P8 O28",
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"spacegroup": 15
},
{
"id": "mp-757615",
"created_at": "2022-09-04T14:44:51.684527Z",
"structure_string": "Li4 P8 W4 O28\n1.0\n8.582501 0.000000 0.000000\n0.000000 7.239153 0.000000\n0.000000 3.627602 8.357493\nLi P W O\n4 8 4 28\ndirect\n0.952456 0.712966 0.167792 Li\n0.452456 0.287034 0.332208 Li\n0.547544 0.712966 0.667792 Li\n0.047544 0.287034 0.832208 Li\n0.726508 0.459417 0.470938 P\n0.226508 0.540583 0.029062 P\n0.733872 0.062044 0.753349 P\n0.233872 0.937956 0.746651 P\n0.766128 0.062044 0.253349 P\n0.266128 0.937956 0.246651 P\n0.773492 0.459417 0.970938 P\n0.273492 0.540583 0.529062 P\n0.576798 0.757971 0.113449 W\n0.076798 0.242029 0.386551 W\n0.923202 0.757971 0.613449 W\n0.423202 0.242029 0.886551 W\n0.595754 0.512098 0.345958 O\n0.886206 0.430974 0.408624 O\n0.766614 0.609827 0.051555 O\n0.266614 0.390173 0.448445 O\n0.386206 0.569026 0.091376 O\n0.662805 0.249254 0.601861 O\n0.095754 0.487902 0.154042 O\n0.235625 0.113060 0.802239 O\n0.883813 0.114707 0.808552 O\n0.596522 0.020899 0.878124 O\n0.837195 0.249254 0.101861 O\n0.096522 0.979101 0.621876 O\n0.264375 0.113060 0.302239 O\n0.616187 0.114707 0.308552 O\n0.383813 0.885293 0.691448 O\n0.735625 0.886940 0.697761 O\n0.903478 0.020899 0.378124 O\n0.162805 0.750746 0.898139 O\n0.403478 0.979101 0.121876 O\n0.116187 0.885293 0.191448 O\n0.764375 0.886940 0.197761 O\n0.904246 0.512098 0.845958 O\n0.337195 0.750746 0.398139 O\n0.613794 0.430974 0.908624 O\n0.733386 0.609827 0.551555 O\n0.233386 0.390173 0.948445 O\n0.113794 0.569026 0.591376 O\n0.404246 0.487902 0.654042 O\n",
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],
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"density_atomic": 0.08473738093822844,
"volume": 519.2513565185,
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"formula_full": "Li4 P8 W4 O28",
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},
{
"id": "mp-769523",
"created_at": "2022-09-04T14:45:03.918611Z",
"structure_string": "Na6 Mn4 P4 C4 O28\n1.0\n8.384953 0.000000 0.000000\n-1.926682 8.207661 0.000000\n-3.194468 -3.759533 9.026126\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.009196 0.973588 0.248041 Na\n0.486837 0.489331 0.231369 Na\n0.733879 0.246600 0.237652 Na\n0.266121 0.753400 0.762348 Na\n0.990804 0.026412 0.751959 Na\n0.513163 0.510669 0.768631 Na\n0.682936 0.941379 0.347777 Mn\n0.189501 0.444385 0.348463 Mn\n0.317064 0.058621 0.652223 Mn\n0.810499 0.555615 0.651537 Mn\n0.948721 0.690695 0.427351 P\n0.445435 0.208872 0.427915 P\n0.051279 0.309305 0.572649 P\n0.554565 0.791128 0.572085 P\n0.531216 0.781609 0.079000 C\n0.028377 0.278027 0.080189 C\n0.468784 0.218391 0.921000 C\n0.971623 0.721973 0.919811 C\n0.050805 0.809242 0.053575 O\n0.540116 0.297370 0.058512 O\n0.168320 0.424861 0.144325 O\n0.671970 0.930030 0.148086 O\n0.479495 0.730591 0.172646 O\n0.983823 0.235329 0.183511 O\n0.025842 0.573282 0.336384 O\n0.844685 0.768040 0.326406 O\n0.528972 0.111536 0.333841 O\n0.330280 0.287688 0.330000 O\n0.905469 0.163820 0.424980 O\n0.318485 0.084145 0.468900 O\n0.812293 0.565458 0.464062 O\n0.410426 0.643506 0.424438 O\n0.094531 0.836180 0.575020 O\n0.187707 0.434542 0.535938 O\n0.681515 0.915855 0.531100 O\n0.589574 0.356494 0.575562 O\n0.974158 0.426718 0.663616 O\n0.155315 0.231960 0.673594 O\n0.471028 0.888464 0.666159 O\n0.669720 0.712312 0.670000 O\n0.520505 0.269409 0.827354 O\n0.016177 0.764671 0.816489 O\n0.328030 0.069970 0.851914 O\n0.831680 0.575139 0.855675 O\n0.459884 0.702630 0.941488 O\n0.949195 0.190758 0.946425 O\n",
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{
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"structure_string": "Cr4 Ru4 N24 F24\n1.0\n9.623346 0.000000 0.000000\n0.000000 9.623346 0.000000\n0.000000 0.000000 9.623346\nCr Ru N F\n4 4 24 24\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.115172 0.345220 0.437612 N\n0.884828 0.654780 0.562388 N\n0.384828 0.654780 0.937612 N\n0.884828 0.845220 0.062388 N\n0.437612 0.115172 0.345220 N\n0.615172 0.345220 0.062388 N\n0.115172 0.154780 0.937612 N\n0.562388 0.884828 0.654780 N\n0.615172 0.154780 0.562388 N\n0.937612 0.384828 0.654780 N\n0.384828 0.845220 0.437612 N\n0.062388 0.615172 0.345220 N\n0.062388 0.884828 0.845220 N\n0.937612 0.115172 0.154780 N\n0.562388 0.615172 0.154780 N\n0.437612 0.384828 0.845220 N\n0.345220 0.437612 0.115172 N\n0.654780 0.562388 0.884828 N\n0.845220 0.062388 0.884828 N\n0.154780 0.937612 0.115172 N\n0.154780 0.562388 0.615172 N\n0.845220 0.437612 0.384828 N\n0.654780 0.937612 0.384828 N\n0.345220 0.062388 0.615172 N\n0.062675 0.379964 0.128669 F\n0.937325 0.620036 0.871331 F\n0.437325 0.620036 0.628669 F\n0.937325 0.879964 0.371331 F\n0.128669 0.062675 0.379964 F\n0.562675 0.379964 0.371331 F\n0.062675 0.120036 0.628669 F\n0.871331 0.937325 0.620036 F\n0.562675 0.120036 0.871331 F\n0.628669 0.437325 0.620036 F\n0.437325 0.879964 0.128669 F\n0.371331 0.562675 0.379964 F\n0.371331 0.937325 0.879964 F\n0.628669 0.062675 0.120036 F\n0.871331 0.562675 0.120036 F\n0.128669 0.437325 0.879964 F\n0.379964 0.128669 0.062675 F\n0.620036 0.871331 0.937325 F\n0.879964 0.371331 0.937325 F\n0.120036 0.628669 0.062675 F\n0.120036 0.871331 0.562675 F\n0.879964 0.128669 0.437325 F\n0.620036 0.628669 0.437325 F\n0.379964 0.371331 0.562675 F\n",
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},
{
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"structure_string": "Cu2 H16 C4 N24 Cl4\n1.0\n6.810531 0.000000 0.000000\n0.000000 6.709568 0.000000\n0.000000 1.207537 12.262637\nCu H C N Cl\n2 16 4 24 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.667030 0.400905 0.580735 H\n0.631245 0.284717 0.041601 H\n0.832970 0.400905 0.080735 H\n0.131245 0.715283 0.458399 H\n0.857061 0.795092 0.792791 H\n0.167127 0.112963 0.344148 H\n0.332873 0.112963 0.844148 H\n0.832873 0.887037 0.655852 H\n0.667127 0.887037 0.155852 H\n0.167030 0.599095 0.919265 H\n0.357061 0.204908 0.707209 H\n0.368755 0.715283 0.958399 H\n0.868755 0.284717 0.541601 H\n0.142939 0.204908 0.207209 H\n0.332970 0.599095 0.419265 H\n0.642939 0.795092 0.292791 H\n0.868962 0.096375 0.764927 C\n0.368962 0.903625 0.735073 C\n0.631038 0.096375 0.264927 C\n0.131038 0.903625 0.235073 C\n0.580914 0.156271 0.362524 N\n0.251758 0.725824 0.905301 N\n0.400245 0.640664 0.644856 N\n0.748242 0.274176 0.094699 N\n0.248242 0.725824 0.405301 N\n0.654046 0.427878 0.258452 N\n0.627528 0.911367 0.233818 N\n0.154046 0.572122 0.241548 N\n0.872472 0.911367 0.733818 N\n0.127528 0.088633 0.266182 N\n0.751758 0.274176 0.594699 N\n0.345954 0.572122 0.741548 N\n0.823694 0.265750 0.700414 N\n0.900245 0.359336 0.855144 N\n0.176306 0.734250 0.299586 N\n0.845954 0.427878 0.758452 N\n0.372472 0.088633 0.766182 N\n0.419086 0.843729 0.637476 N\n0.323694 0.734250 0.799586 N\n0.599755 0.359336 0.355144 N\n0.676306 0.265750 0.200414 N\n0.919086 0.156271 0.862524 N\n0.080914 0.843729 0.137476 N\n0.099755 0.640664 0.144856 N\n0.769737 0.787196 0.486632 Cl\n0.230263 0.212804 0.513368 Cl\n0.269737 0.212804 0.013368 Cl\n0.730263 0.787196 0.986632 Cl\n",
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{
"id": "mp-754022",
"created_at": "2022-09-04T14:45:06.214503Z",
"structure_string": "Al2 Co2 O6\n1.0\n-2.253665 4.290898 0.027137\n-3.177687 -4.322673 0.111153\n-2.375476 1.538560 4.045120\nAl Co O\n2 2 6\ndirect\n0.308257 0.459316 0.848213 Al\n0.695439 0.547391 0.150570 Al\n0.311706 0.948313 0.336850 Co\n0.687000 0.065381 0.661803 Co\n0.811427 0.741398 0.749701 O\n0.813358 0.254088 0.959487 O\n0.488090 0.731013 0.434158 O\n0.500923 0.275377 0.566990 O\n0.179170 0.727588 0.050825 O\n0.204629 0.250136 0.241401 O\n",
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