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{
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{
"id": "mp-774358",
"created_at": "2022-09-04T14:46:38.906629Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.312385 0.000000 0.000000\n0.000000 7.154445 0.000000\n0.000000 3.463894 9.095329\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.639642 0.673300 0.502739 Li\n0.139642 0.326700 0.497261 Li\n0.640029 0.674301 0.000138 Li\n0.140029 0.325699 0.999862 Li\n0.001841 0.729226 0.990845 Mn\n0.501841 0.270774 0.009155 Mn\n0.999971 0.727841 0.493579 V\n0.499971 0.272159 0.506421 V\n0.216665 0.913916 0.687159 P\n0.320291 0.522151 0.690090 P\n0.820291 0.477849 0.309910 P\n0.212769 0.909713 0.186341 P\n0.716665 0.086084 0.312841 P\n0.320861 0.517670 0.190012 P\n0.820861 0.482330 0.809988 P\n0.712769 0.090287 0.813659 P\n0.347395 0.753254 0.672003 O\n0.067730 0.916004 0.593789 O\n0.826451 0.603750 0.644058 O\n0.157430 0.507274 0.620415 O\n0.460944 0.483926 0.601643 O\n0.672147 0.154220 0.650412 O\n0.304375 0.114074 0.624521 O\n0.804375 0.885926 0.375479 O\n0.172147 0.845780 0.349588 O\n0.960944 0.516074 0.398357 O\n0.657430 0.492726 0.379585 O\n0.326451 0.396250 0.355942 O\n0.567730 0.083996 0.406211 O\n0.847395 0.246746 0.327997 O\n0.344669 0.749821 0.171446 O\n0.062273 0.907334 0.093533 O\n0.822255 0.605972 0.145889 O\n0.159291 0.494368 0.125981 O\n0.465486 0.478494 0.104536 O\n0.676846 0.141705 0.150127 O\n0.295059 0.111250 0.129331 O\n0.795059 0.888750 0.870669 O\n0.176846 0.858295 0.849873 O\n0.965486 0.521506 0.895464 O\n0.659291 0.505632 0.874019 O\n0.322255 0.394028 0.854111 O\n0.562273 0.092666 0.906467 O\n0.844669 0.250179 0.828554 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
"formula_reduced": "Li2MnV(P2O7)2",
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{
"id": "mp-778108",
"created_at": "2022-09-04T14:43:13.510109Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n4.867677 -8.322723 -0.008976\n4.836056 8.304002 -0.008556\n-2.276185 0.004483 6.677314\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.158387 0.019007 0.675919 Li\n0.729801 0.090386 0.323982 Li\n0.233445 0.593617 0.326465 Li\n0.655745 0.517535 0.672721 Li\n0.394299 0.392983 0.269137 Mn\n0.358016 0.857149 0.730532 Mn\n0.857234 0.356305 0.727383 V\n0.893003 0.892217 0.272315 V\n0.110836 0.291492 0.521954 P\n0.750299 0.033685 0.912481 P\n0.250332 0.539031 0.911748 P\n0.460558 0.139092 0.482555 P\n0.609034 0.788265 0.517581 P\n0.714089 0.497475 0.086013 P\n0.214213 0.000794 0.089669 P\n0.960206 0.639981 0.477950 P\n0.074430 0.113232 0.484848 O\n0.361122 0.032482 0.609356 O\n0.582500 0.015208 0.915021 O\n0.081981 0.518462 0.909742 O\n0.222378 0.378388 0.753219 O\n0.373718 0.029271 0.249875 O\n0.234955 0.171105 0.091293 O\n0.212589 0.390513 0.392887 O\n0.454478 0.295851 0.504319 O\n0.137954 0.675502 0.517981 O\n0.637255 0.173385 0.517183 O\n0.861726 0.187310 0.851328 O\n0.363874 0.693165 0.850050 O\n0.212858 0.915631 0.887776 O\n0.721642 0.415749 0.887094 O\n0.334445 0.537871 0.112424 O\n0.835568 0.029859 0.111989 O\n0.062551 0.889928 0.153652 O\n0.559308 0.383142 0.143801 O\n0.575667 0.610229 0.478922 O\n0.452384 0.793229 0.496896 O\n0.952070 0.294997 0.507995 O\n0.859289 0.535453 0.603988 O\n0.719167 0.873583 0.749857 O\n0.875031 0.528049 0.247164 O\n0.733355 0.665881 0.085032 O\n0.717769 0.891354 0.395673 O\n0.954862 0.797738 0.492231 O\n",
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},
{
"id": "mp-777803",
"created_at": "2022-09-04T14:45:30.149494Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.336526 0.000000 0.000000\n0.000000 7.068884 0.000000\n0.000000 3.120327 9.186771\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.858868 0.668956 0.914706 Li\n0.357591 0.326922 0.590619 Li\n0.857591 0.673078 0.409381 Li\n0.358868 0.331044 0.085294 Li\n0.500669 0.730687 0.891934 Mn\n0.000669 0.269313 0.108066 Mn\n0.998117 0.273449 0.605171 V\n0.498117 0.726551 0.394829 V\n0.178627 0.517988 0.800947 P\n0.789183 0.088820 0.894727 P\n0.282854 0.911759 0.609607 P\n0.679643 0.477033 0.700964 P\n0.179643 0.522967 0.299036 P\n0.782854 0.088241 0.390393 P\n0.289183 0.911180 0.105273 P\n0.678627 0.482012 0.199053 P\n0.329535 0.852063 0.970681 O\n0.706806 0.888169 0.932837 O\n0.035664 0.478694 0.907356 O\n0.340467 0.495725 0.875614 O\n0.676836 0.608455 0.800296 O\n0.433096 0.913291 0.702106 O\n0.153745 0.750202 0.704277 O\n0.655669 0.247894 0.801443 O\n0.937707 0.095273 0.799419 O\n0.171546 0.398621 0.693533 O\n0.840186 0.492908 0.621786 O\n0.537466 0.514629 0.594834 O\n0.326092 0.851905 0.476762 O\n0.695211 0.888965 0.430981 O\n0.195211 0.111035 0.569019 O\n0.826092 0.148095 0.523238 O\n0.037466 0.485371 0.405166 O\n0.340186 0.507092 0.378214 O\n0.671546 0.601379 0.306467 O\n0.437707 0.904727 0.200581 O\n0.155669 0.752106 0.198557 O\n0.653745 0.249798 0.295723 O\n0.933096 0.086709 0.297894 O\n0.176836 0.391545 0.199704 O\n0.840467 0.504275 0.124386 O\n0.535664 0.521306 0.092644 O\n0.206806 0.111831 0.067163 O\n0.829535 0.147937 0.029319 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
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{
"id": "mp-558770",
"created_at": "2022-09-04T14:47:00.891054Z",
"structure_string": "Ni2 As4 S12 N12 F36\n1.0\n9.170396 0.000000 0.000000\n0.000000 9.562885 0.000000\n0.000000 9.505653 13.281999\nNi As S N F\n2 4 12 12 36\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.449168 0.743080 0.255157 As\n0.550832 0.256920 0.744843 As\n0.949168 0.256920 0.244843 As\n0.050832 0.743080 0.755157 As\n0.502906 0.173612 0.244213 S\n0.190584 0.245744 0.457939 S\n0.497094 0.826388 0.755787 S\n0.690584 0.754256 0.042061 S\n0.002906 0.826388 0.255787 S\n0.809416 0.754256 0.542061 S\n0.997094 0.173612 0.744213 S\n0.700761 0.345125 0.460478 S\n0.299239 0.654875 0.539522 S\n0.309416 0.245744 0.957939 S\n0.799239 0.345125 0.960478 S\n0.200761 0.654875 0.039522 S\n0.109231 0.781760 0.034093 N\n0.195266 0.136500 0.964718 N\n0.988852 0.080598 0.851668 N\n0.511148 0.080598 0.351668 N\n0.390769 0.781760 0.534093 N\n0.695266 0.863500 0.535282 N\n0.609231 0.218240 0.465907 N\n0.804734 0.863500 0.035282 N\n0.488852 0.919402 0.648332 N\n0.890769 0.218240 0.965907 N\n0.304734 0.136500 0.464718 N\n0.011148 0.919402 0.148332 N\n0.795809 0.383872 0.230035 F\n0.568258 0.596300 0.255766 F\n0.330128 0.890941 0.254544 F\n0.567729 0.138895 0.877876 F\n0.432271 0.861105 0.122124 F\n0.068258 0.403700 0.244234 F\n0.169872 0.890941 0.754544 F\n0.207657 0.305720 0.535776 F\n0.704191 0.383872 0.730035 F\n0.830128 0.109059 0.245456 F\n0.431742 0.403700 0.744234 F\n0.645815 0.267455 0.029726 F\n0.449343 0.379383 0.182570 F\n0.036685 0.622624 0.888622 F\n0.600303 0.870631 0.240870 F\n0.931742 0.596300 0.755766 F\n0.707657 0.694280 0.964224 F\n0.354185 0.732545 0.970274 F\n0.067729 0.861105 0.622124 F\n0.463315 0.622624 0.388622 F\n0.050657 0.379383 0.682570 F\n0.854185 0.267455 0.529726 F\n0.295809 0.616128 0.269965 F\n0.550657 0.620617 0.817430 F\n0.963315 0.377376 0.111378 F\n0.792343 0.694280 0.464224 F\n0.204191 0.616128 0.769965 F\n0.100303 0.129369 0.259130 F\n0.145815 0.732545 0.470274 F\n0.399697 0.129369 0.759130 F\n0.899697 0.870631 0.740870 F\n0.292343 0.305720 0.035776 F\n0.536685 0.377376 0.611378 F\n0.932271 0.138895 0.377876 F\n0.669872 0.109059 0.745456 F\n0.949343 0.620617 0.317430 F\n",
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"formula_full": "Ni2 As4 S12 N12 F36",
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{
"id": "mp-761240",
"created_at": "2022-09-04T14:39:14.405684Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.302736 0.000000 0.000000\n0.000000 7.059976 0.000000\n0.000000 3.141351 9.192298\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.860790 0.672602 0.663643 Li\n0.360790 0.327398 0.336357 Li\n0.859625 0.675555 0.160369 Li\n0.359625 0.324445 0.839631 Li\n0.497903 0.730413 0.143559 Mn\n0.997903 0.269587 0.856441 Mn\n0.500251 0.726984 0.642954 V\n0.000251 0.273016 0.357046 V\n0.179583 0.521580 0.550171 P\n0.784713 0.086705 0.643880 P\n0.284713 0.913295 0.356120 P\n0.679583 0.478420 0.449829 P\n0.178260 0.517551 0.049645 P\n0.787002 0.089337 0.142809 P\n0.287002 0.910663 0.857191 P\n0.678260 0.482449 0.950355 P\n0.328116 0.846441 0.725522 O\n0.695677 0.887037 0.681700 O\n0.037040 0.480949 0.656517 O\n0.343274 0.507011 0.625683 O\n0.676804 0.604868 0.551908 O\n0.433778 0.914421 0.448177 O\n0.153039 0.752002 0.451533 O\n0.653039 0.247998 0.548467 O\n0.933778 0.085579 0.551823 O\n0.176804 0.395132 0.448092 O\n0.843274 0.492989 0.374317 O\n0.537040 0.519051 0.343483 O\n0.324303 0.855962 0.221232 O\n0.704758 0.886787 0.187673 O\n0.195677 0.112963 0.318300 O\n0.828116 0.153559 0.274478 O\n0.035841 0.483185 0.155733 O\n0.340346 0.493560 0.126150 O\n0.672002 0.607903 0.053955 O\n0.437023 0.910022 0.951050 O\n0.155452 0.750688 0.951760 O\n0.655452 0.249312 0.048240 O\n0.937023 0.089978 0.048950 O\n0.172002 0.392097 0.946045 O\n0.840346 0.506440 0.873850 O\n0.535841 0.516815 0.844267 O\n0.204758 0.113213 0.812327 O\n0.824304 0.144038 0.778768 O\n",
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"formula_full": "Li4 Mn2 V2 P8 O28",
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{
"id": "mp-1201057",
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"structure_string": "Ba2 B24 H24 O12\n1.0\n6.011624 5.095643 0.000000\n-6.011624 5.095643 0.000000\n0.000000 0.000000 13.860382\nBa B H O\n2 24 24 12\ndirect\n0.761373 0.761373 0.250000 Ba\n0.238627 0.238627 0.750000 Ba\n0.335719 0.335719 0.977863 B\n0.664281 0.664281 0.022137 B\n0.335719 0.335719 0.522137 B\n0.664281 0.664281 0.477863 B\n0.399413 0.399413 0.096698 B\n0.600587 0.600587 0.903302 B\n0.399413 0.399413 0.403302 B\n0.600587 0.600587 0.596698 B\n0.624724 0.476409 0.095531 B\n0.523591 0.375276 0.904469 B\n0.624724 0.476409 0.404469 B\n0.523591 0.375276 0.595531 B\n0.375276 0.523591 0.904469 B\n0.476409 0.624724 0.095531 B\n0.375276 0.523591 0.595531 B\n0.476409 0.624724 0.404469 B\n0.297509 0.538367 0.023558 B\n0.461633 0.702491 0.976442 B\n0.297509 0.538367 0.476442 B\n0.461633 0.702491 0.523558 B\n0.702491 0.461633 0.976442 B\n0.538367 0.297509 0.023558 B\n0.702491 0.461633 0.523558 B\n0.538367 0.297509 0.476442 B\n0.219329 0.219329 0.960758 H\n0.780671 0.780671 0.039242 H\n0.219329 0.219329 0.539242 H\n0.780671 0.780671 0.460758 H\n0.331262 0.331262 0.167278 H\n0.668738 0.668738 0.832722 H\n0.331262 0.331262 0.332722 H\n0.668738 0.668738 0.667278 H\n0.714563 0.457185 0.163969 H\n0.542815 0.285437 0.836031 H\n0.714563 0.457185 0.336031 H\n0.542815 0.285437 0.663969 H\n0.285437 0.542815 0.836031 H\n0.457185 0.714563 0.163969 H\n0.285437 0.542815 0.663969 H\n0.457185 0.714563 0.336031 H\n0.155179 0.568342 0.038526 H\n0.431658 0.844821 0.961474 H\n0.155179 0.568342 0.461474 H\n0.431658 0.844821 0.538526 H\n0.844821 0.431658 0.961474 H\n0.568342 0.155179 0.038526 H\n0.844821 0.431658 0.538526 H\n0.568342 0.155179 0.461474 H\n0.856879 0.201693 0.250000 O\n0.798307 0.143121 0.750000 O\n0.143121 0.798307 0.750000 O\n0.201693 0.856879 0.250000 O\n0.834269 0.114279 0.329657 O\n0.885721 0.165731 0.670343 O\n0.834269 0.114279 0.170343 O\n0.885721 0.165731 0.829657 O\n0.165731 0.885721 0.670343 O\n0.114279 0.834269 0.329657 O\n0.165731 0.885721 0.829657 O\n0.114279 0.834269 0.170343 O\n",
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