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{
"id": "mp-29508",
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"structure_string": "Li8 Mo24 O72\n1.0\n7.587906 0.000000 0.000000\n3.668237 12.876852 0.000000\n1.861245 4.415525 15.284636\nLi Mo O\n8 24 72\ndirect\n0.215533 0.022132 0.592621 Li\n0.784467 0.977868 0.407379 Li\n0.304681 0.552243 0.135375 Li\n0.695319 0.447757 0.864625 Li\n0.326105 0.143140 0.868012 Li\n0.673895 0.856860 0.131988 Li\n0.845776 0.760577 0.598098 Li\n0.154224 0.239423 0.401902 Li\n0.184643 0.421735 0.895596 Mo\n0.815357 0.578265 0.104404 Mo\n0.339202 0.640120 0.884321 Mo\n0.660798 0.359880 0.115679 Mo\n0.832383 0.149244 0.895670 Mo\n0.167617 0.850756 0.104330 Mo\n0.678871 0.940258 0.881148 Mo\n0.321129 0.059742 0.118852 Mo\n0.807187 0.055363 0.163331 Mo\n0.192813 0.944637 0.836669 Mo\n0.167160 0.334054 0.161962 Mo\n0.832840 0.665946 0.838038 Mo\n0.356289 0.237918 0.601572 Mo\n0.643711 0.762082 0.398428 Mo\n0.706656 0.039980 0.598136 Mo\n0.293344 0.960020 0.401864 Mo\n0.865346 0.245337 0.593973 Mo\n0.134654 0.754663 0.406027 Mo\n0.705589 0.536164 0.603178 Mo\n0.294411 0.463836 0.396822 Mo\n0.355425 0.734579 0.598254 Mo\n0.644575 0.265421 0.401746 Mo\n0.199858 0.530494 0.596014 Mo\n0.800142 0.469506 0.403986 Mo\n0.610283 0.616161 0.855135 O\n0.389717 0.383839 0.144865 O\n0.949900 0.494095 0.859213 O\n0.050100 0.505905 0.140787 O\n0.718195 0.799863 0.851578 O\n0.281805 0.200137 0.148422 O\n0.825139 0.609159 0.989159 O\n0.174861 0.390841 0.010841 O\n0.195301 0.480196 0.707207 O\n0.804699 0.519804 0.292793 O\n0.372221 0.494316 0.859511 O\n0.627779 0.505684 0.140489 O\n0.340715 0.704275 0.710707 O\n0.659285 0.295725 0.289293 O\n0.305380 0.800515 0.852848 O\n0.694620 0.199485 0.147152 O\n0.826198 0.100896 0.010848 O\n0.173802 0.899104 0.989152 O\n0.843275 0.221701 0.704643 O\n0.156725 0.778299 0.295357 O\n0.588771 0.016261 0.145757 O\n0.411229 0.983739 0.854243 O\n0.052676 0.068364 0.142923 O\n0.947324 0.931636 0.857077 O\n0.805547 0.010685 0.277294 O\n0.194453 0.989315 0.722706 O\n0.928243 0.897465 0.143009 O\n0.071757 0.102535 0.856991 O\n0.770731 0.289786 0.868233 O\n0.229269 0.710214 0.131767 O\n0.350658 0.897416 0.140422 O\n0.649342 0.102584 0.859578 O\n0.702123 0.996630 0.711743 O\n0.297877 0.003370 0.288257 O\n0.332812 0.101528 0.006744 O\n0.667188 0.898472 0.993256 O\n0.851706 0.696602 0.723884 O\n0.148294 0.303398 0.276116 O\n0.924823 0.334743 0.141281 O\n0.075177 0.665257 0.858719 O\n0.749320 0.700258 0.131412 O\n0.250680 0.299742 0.868588 O\n0.334124 0.604602 0.996252 O\n0.665876 0.395398 0.003748 O\n0.040902 0.448080 0.427343 O\n0.959098 0.551920 0.572657 O\n0.563101 0.428948 0.414228 O\n0.436899 0.571052 0.585772 O\n0.229398 0.599790 0.440063 O\n0.770602 0.400210 0.559937 O\n0.299589 0.405824 0.557057 O\n0.700411 0.594176 0.442943 O\n0.863517 0.298938 0.429847 O\n0.136483 0.701062 0.570153 O\n0.441746 0.090052 0.584395 O\n0.558254 0.909948 0.415605 O\n0.622182 0.702776 0.572776 O\n0.377818 0.297224 0.427224 O\n0.623623 0.227638 0.565865 O\n0.376377 0.772362 0.434135 O\n0.295364 0.878967 0.559663 O\n0.704636 0.121033 0.440337 O\n0.339378 0.218541 0.711697 O\n0.660622 0.781459 0.288303 O\n0.110531 0.241979 0.566881 O\n0.889469 0.758021 0.433119 O\n0.925075 0.095074 0.581354 O\n0.074925 0.904926 0.418646 O\n0.774106 0.921462 0.563466 O\n0.225894 0.078538 0.436534 O\n0.287218 0.515017 0.285990 O\n0.712782 0.484983 0.714010 O\n",
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"elements": [
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"volume": 1493.4364500692861,
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"formula_full": "Li8 Mo24 O72",
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"formula_anonymous": "AB3C9",
"energy": -840.5711437300001,
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"updated_at": "2021-11-28T01:38:45.766000Z",
"spacegroup": 2
},
{
"id": "mp-757623",
"created_at": "2022-09-04T14:48:12.457019Z",
"structure_string": "Li4 Cr4 Si8 O22\n1.0\n7.133556 0.000000 0.000000\n-2.487923 7.420542 0.000000\n-1.839961 -1.999961 8.390608\nLi Cr Si O\n4 4 8 22\ndirect\n0.378865 0.218786 0.798765 Li\n0.848911 0.255042 0.846590 Li\n0.151089 0.744958 0.153410 Li\n0.621135 0.781214 0.201235 Li\n0.119629 0.380970 0.614225 Cr\n0.635299 0.386094 0.599635 Cr\n0.364701 0.613906 0.400365 Cr\n0.880371 0.619030 0.385775 Cr\n0.757053 0.613994 0.964228 Si\n0.044321 0.780270 0.767734 Si\n0.478705 0.782653 0.780802 Si\n0.225053 0.026350 0.397044 Si\n0.774947 0.973650 0.602956 Si\n0.521295 0.217347 0.219198 Si\n0.955679 0.219730 0.232266 Si\n0.242947 0.386006 0.035772 Si\n0.187007 0.377626 0.849283 O\n0.602338 0.735912 0.939720 O\n0.671937 0.410260 0.842929 O\n0.977825 0.742788 0.932027 O\n0.296637 0.851047 0.823026 O\n0.635143 0.961021 0.736124 O\n0.342567 0.186233 0.559927 O\n0.394386 0.601191 0.634965 O\n0.834990 0.188125 0.593218 O\n0.987834 0.949579 0.705340 O\n0.927439 0.593060 0.626588 O\n0.072561 0.406940 0.373412 O\n0.012166 0.050421 0.294660 O\n0.165010 0.811875 0.406782 O\n0.605614 0.398809 0.365035 O\n0.657433 0.813767 0.440073 O\n0.364857 0.038979 0.263876 O\n0.703363 0.148953 0.176974 O\n0.022175 0.257212 0.067973 O\n0.328063 0.589740 0.157071 O\n0.397662 0.264088 0.060280 O\n0.812993 0.622374 0.150717 O\n",
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"formula_full": "Li4 Cr4 Si8 O22",
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"spacegroup": 2
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{
"id": "mp-1195842",
"created_at": "2022-09-04T14:48:07.849172Z",
"structure_string": "Lu4 Fe34\n1.0\n0.000000 0.000000 -8.287435\n-4.162597 -7.211817 0.000000\n-4.162597 7.211817 0.000000\nLu Fe\n4 34\ndirect\n0.750000 0.999979 0.000021 Lu\n0.250000 0.000021 0.999979 Lu\n0.250000 0.666640 0.333360 Lu\n0.750000 0.333360 0.666640 Lu\n0.607667 0.666678 0.333322 Fe\n0.392333 0.333322 0.666678 Fe\n0.107667 0.333322 0.666678 Fe\n0.892333 0.666678 0.333322 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.750000 0.670691 0.031373 Fe\n0.750000 0.360837 0.329472 Fe\n0.750000 0.968467 0.639218 Fe\n0.750000 0.360782 0.031533 Fe\n0.750000 0.968627 0.329309 Fe\n0.750000 0.670528 0.639163 Fe\n0.250000 0.329309 0.968627 Fe\n0.250000 0.639163 0.670528 Fe\n0.250000 0.031533 0.360782 Fe\n0.250000 0.639218 0.968467 Fe\n0.250000 0.031373 0.670691 Fe\n0.250000 0.329472 0.360837 Fe\n0.487172 0.834394 0.669010 Fe\n0.487153 0.834549 0.165451 Fe\n0.487172 0.330990 0.165606 Fe\n0.512828 0.165606 0.330990 Fe\n0.512847 0.165451 0.834549 Fe\n0.512828 0.669010 0.834394 Fe\n0.987172 0.165606 0.330990 Fe\n0.987153 0.165451 0.834549 Fe\n0.987172 0.669010 0.834394 Fe\n0.012828 0.834394 0.669010 Fe\n0.012847 0.834549 0.165451 Fe\n0.012828 0.330990 0.165606 Fe\n",
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{
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"created_at": "2022-09-04T14:44:30.618591Z",
"structure_string": "Li2 Cr3 C6 O18\n1.0\n4.724079 0.000000 0.000000\n-2.355700 5.551358 0.000000\n-0.014364 -2.522326 11.889136\nLi Cr C O\n2 3 6 18\ndirect\n0.423377 0.849007 0.268769 Li\n0.576623 0.150993 0.731231 Li\n0.165870 0.329105 0.335431 Cr\n0.500000 0.000000 0.000000 Cr\n0.834130 0.670895 0.664569 Cr\n0.960380 0.924058 0.135333 C\n0.288416 0.582562 0.800634 C\n0.039620 0.075942 0.864667 C\n0.632458 0.255731 0.468403 C\n0.367542 0.744269 0.531597 C\n0.711584 0.417438 0.199366 C\n0.546853 0.558039 0.785172 O\n0.453147 0.441961 0.214828 O\n0.233847 0.158268 0.950869 O\n0.115265 0.990561 0.767044 O\n0.884735 0.009439 0.232956 O\n0.240148 0.684566 0.896729 O\n0.766153 0.841732 0.049131 O\n0.070392 0.489342 0.719618 O\n0.898007 0.245615 0.458723 O\n0.770506 0.087079 0.870462 O\n0.572018 0.838773 0.618149 O\n0.929608 0.510658 0.280382 O\n0.437564 0.654544 0.435495 O\n0.759852 0.315434 0.103271 O\n0.562436 0.345456 0.564505 O\n0.427982 0.161227 0.381851 O\n0.229494 0.912921 0.129538 O\n0.101993 0.754385 0.541277 O\n",
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{
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"formula_full": "Mg4 Nb4 Ni2 O16",
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{
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{
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{
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"formula_full": "Li8 Cr8 Si16 O48",
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},
{
"id": "mp-758576",
"created_at": "2022-09-04T14:46:32.928428Z",
"structure_string": "Li4 Nb2 V3 Fe3 O16\n1.0\n5.944154 0.047268 0.031756\n-2.931129 5.080192 -0.001556\n0.052566 0.027267 9.774285\nLi Nb V Fe O\n4 2 3 3 16\ndirect\n0.338965 0.669457 0.900383 Li\n0.997785 0.998891 0.990023 Li\n0.995991 0.997997 0.490981 Li\n0.672600 0.336287 0.399471 Li\n0.335349 0.667540 0.495239 Nb\n0.659718 0.329843 0.997927 Nb\n0.654384 0.827205 0.222357 V\n0.825887 0.646380 0.717621 V\n0.825623 0.179415 0.717556 V\n0.163520 0.815742 0.214761 Fe\n0.163638 0.347824 0.214793 Fe\n0.336741 0.168284 0.714844 Fe\n0.162102 0.831220 0.593983 O\n0.038639 0.519377 0.350359 O\n0.368534 0.684303 0.106643 O\n0.977775 0.988945 0.301812 O\n0.977337 0.988582 0.801803 O\n0.161809 0.331085 0.593956 O\n0.490424 0.966765 0.344280 O\n0.490652 0.523855 0.344269 O\n0.328630 0.164395 0.088648 O\n0.664802 0.832550 0.598260 O\n0.526916 0.486885 0.839880 O\n0.527163 0.039899 0.840092 O\n0.684799 0.342516 0.601976 O\n0.830325 0.666028 0.091697 O\n0.969650 0.484651 0.842477 O\n0.830238 0.164376 0.091747 O\n",
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"formula_full": "Li4 Nb2 V3 Fe3 O16",
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{
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"structure_string": "La16 Ni8 O33\n1.0\n-3.880403 3.880403 12.700341\n3.880403 -3.880403 12.700341\n3.880403 3.880403 -12.700341\nLa Ni O\n16 8 33\ndirect\n0.936455 0.192858 0.243013 La\n0.810629 0.562854 0.261336 La\n0.450707 0.189371 0.752225 La\n0.937876 0.695697 0.244231 La\n0.949845 0.693442 0.756987 La\n0.451466 0.693645 0.755769 La\n0.437146 0.698482 0.247775 La\n0.944783 0.206958 0.757583 La\n0.301518 0.549293 0.738664 La\n0.812799 0.055217 0.262174 La\n0.807142 0.050155 0.743596 La\n0.306558 0.063545 0.256404 La\n0.306355 0.062124 0.757821 La\n0.793042 0.550625 0.737826 La\n0.449375 0.187201 0.242417 La\n0.304303 0.548534 0.242179 La\n0.123503 0.875065 0.250366 Ni\n0.127867 0.376180 0.752405 Ni\n0.624700 0.873137 0.749634 Ni\n0.124935 0.375300 0.248438 Ni\n0.623820 0.376224 0.751687 Ni\n0.623776 0.375463 0.247595 Ni\n0.126863 0.876497 0.751562 Ni\n0.624537 0.872133 0.248313 Ni\n0.877512 0.877512 0.000000 O\n0.058655 0.285089 0.272104 O\n0.869612 0.369693 0.999274 O\n0.377611 0.877611 0.500000 O\n0.122389 0.622389 0.500000 O\n0.871387 0.371387 0.500000 O\n0.725225 0.440617 0.237441 O\n0.512217 0.274775 0.715392 O\n0.037566 0.810961 0.273589 O\n0.012985 0.786551 0.727896 O\n0.614169 0.614169 0.000000 O\n0.385831 0.385831 0.000000 O\n0.880263 0.882135 0.503784 O\n0.122488 0.122488 0.000000 O\n0.630307 0.629580 0.499918 O\n0.129662 0.130388 0.500082 O\n0.537372 0.763978 0.726411 O\n0.559383 0.796825 0.284608 O\n0.096966 0.276692 0.793069 O\n0.203175 0.487783 0.762559 O\n0.696103 0.903034 0.179726 O\n0.714911 0.987015 0.773566 O\n0.628613 0.128613 0.500000 O\n0.370420 0.870338 0.000726 O\n0.750000 0.250000 0.500000 O\n0.117865 0.621649 0.998128 O\n0.623521 0.119737 0.001872 O\n0.236022 0.962434 0.773395 O\n0.213449 0.941345 0.226434 O\n0.723308 0.516377 0.820274 O\n0.483623 0.303897 0.206931 O\n0.378351 0.376479 0.496216 O\n0.189039 0.462628 0.226605 O\n",
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{
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"structure_string": "Ba2 Y2 Mn2 Co2 O10\n1.0\n-3.999423 3.912500 -0.007935\n-4.003853 -3.916756 0.003755\n-3.997812 -0.012660 7.736009\nBa Y Mn Co O\n2 2 2 2 10\ndirect\n0.007742 0.006081 0.989353 Ba\n0.503632 0.500470 0.990152 Ba\n0.249698 0.249461 0.502077 Y\n0.749039 0.748947 0.501413 Y\n0.363378 0.862795 0.273766 Mn\n0.872595 0.374154 0.253194 Mn\n0.131376 0.631950 0.736839 Co\n0.633005 0.122452 0.744248 Co\n0.497353 0.998691 0.002874 O\n0.001906 0.508639 0.989690 O\n0.414739 0.916263 0.685239 O\n0.899277 0.400124 0.685711 O\n0.923874 0.894239 0.682631 O\n0.391066 0.424139 0.685964 O\n0.581774 0.081550 0.315431 O\n0.102416 0.602612 0.316006 O\n0.096216 0.082785 0.321102 O\n0.580910 0.594647 0.324307 O\n",
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{
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"structure_string": "Sr1 Al1 Si5 N7 O2\n1.0\n4.937422 0.000000 0.000000\n2.429727 6.355899 0.000000\n2.404008 0.942757 6.358656\nSr Al Si N O\n1 1 5 7 2\ndirect\n0.279913 0.010442 0.995554 Sr\n0.825124 0.527209 0.147140 Al\n0.325482 0.332794 0.332227 Si\n0.989510 0.660757 0.660780 Si\n0.501671 0.468479 0.854727 Si\n0.816339 0.144170 0.531795 Si\n0.485143 0.859379 0.479743 Si\n0.692876 0.297063 0.315453 N\n0.309791 0.690291 0.687980 N\n0.239839 0.443842 0.098917 N\n0.760112 0.567495 0.889517 N\n0.215379 0.100899 0.443733 N\n0.767877 0.895123 0.551515 N\n0.629721 0.228422 0.769336 N\n0.077267 0.499759 0.493246 O\n0.615056 0.773877 0.248336 O\n",
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]
}