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{
"id": "mp-1572",
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"structure_string": "Ga4 Se4\n1.0\n1.909533 -3.307409 0.000000\n1.909533 3.307409 0.000000\n0.000000 0.000000 17.801796\nGa Se\n4 4\ndirect\n0.000000 0.000000 0.069406 Ga\n0.000000 0.000000 0.930594 Ga\n0.666667 0.333333 0.430600 Ga\n0.666667 0.333333 0.569400 Ga\n0.666667 0.333333 0.864701 Se\n0.666667 0.333333 0.135299 Se\n0.333333 0.666667 0.635307 Se\n0.333333 0.666667 0.364693 Se\n",
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{
"id": "mp-1177684",
"created_at": "2022-09-04T14:40:24.266787Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.045087 -0.055235 0.047919\n4.025088 -7.467678 0.002740\n3.892100 2.040104 -14.033540\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.150125 0.249951 0.330833 Li\n0.150009 0.799801 0.134572 Li\n0.144854 0.298912 0.633674 Li\n0.145538 0.729310 0.461133 Li\n0.148811 0.226698 0.960613 Li\n0.150259 0.750397 0.830294 Li\n0.853756 0.249235 0.165750 Li\n0.853369 0.774191 0.038955 Li\n0.852463 0.278577 0.538337 Li\n0.852052 0.698645 0.367099 Li\n0.850844 0.202556 0.868191 Li\n0.851986 0.742929 0.667931 Li\n0.044950 0.979337 0.325935 Mn\n0.558709 0.218849 0.072891 Mn\n0.560726 0.715516 0.573088 Mn\n0.953776 0.524400 0.174547 Mn\n0.047280 0.473951 0.826324 V\n0.440905 0.279867 0.428766 V\n0.439249 0.782923 0.926568 V\n0.951879 0.022842 0.673856 V\n0.253269 0.084163 0.122447 P\n0.252761 0.018258 0.481931 P\n0.249152 0.520511 0.274489 P\n0.251774 0.017073 0.768806 P\n0.248529 0.580398 0.624931 P\n0.251987 0.523862 0.979010 P\n0.750193 0.477649 0.018753 P\n0.747483 0.413109 0.376327 P\n0.744821 0.988254 0.231089 P\n0.748154 0.481744 0.729627 P\n0.752138 0.978195 0.521639 P\n0.753071 0.914287 0.871912 P\n0.095743 0.253904 0.100668 O\n0.202482 0.066843 0.228816 O\n0.098795 0.628478 0.072827 O\n0.098690 0.116018 0.578376 O\n0.092641 0.484158 0.280461 O\n0.423154 0.093458 0.092233 O\n0.272683 0.174453 0.434101 O\n0.192362 0.720569 0.259888 O\n0.192462 0.217405 0.753282 O\n0.277793 0.488386 0.376665 O\n0.414988 0.396555 0.197687 O\n0.093777 0.757870 0.603566 O\n0.275434 0.920573 0.059814 O\n0.265926 0.421668 0.560427 O\n0.574852 0.125278 0.309014 O\n0.189176 0.561699 0.731424 O\n0.200052 0.921221 0.419533 O\n0.196489 0.424470 0.917027 O\n0.719335 0.012421 0.130014 O\n0.580126 0.609048 0.996067 O\n0.578573 0.116163 0.498579 O\n0.099075 0.975192 0.767154 O\n0.731828 0.322091 0.066529 O\n0.577733 0.401205 0.410471 O\n0.417101 0.586451 0.601202 O\n0.276985 0.672455 0.925950 O\n0.900023 0.025906 0.227064 O\n0.426399 0.884811 0.500519 O\n0.424377 0.386201 0.997681 O\n0.268245 0.995268 0.871321 O\n0.798379 0.581166 0.080234 O\n0.801755 0.086018 0.581408 O\n0.792158 0.432285 0.271096 O\n0.421878 0.888231 0.694041 O\n0.730593 0.571109 0.439840 O\n0.741966 0.069202 0.932005 O\n0.906148 0.238911 0.396629 O\n0.580630 0.611216 0.805357 O\n0.729498 0.507805 0.627060 O\n0.793982 0.795017 0.251508 O\n0.805803 0.281409 0.744487 O\n0.728470 0.833106 0.574476 O\n0.582958 0.905126 0.898071 O\n0.903592 0.518780 0.729591 O\n0.900827 0.878591 0.426386 O\n0.905022 0.380268 0.921997 O\n0.807995 0.929861 0.763935 O\n0.906180 0.735287 0.893200 O\n",
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"elements": [
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"V",
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],
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"density_atomic": 0.0845199820349512,
"volume": 946.5217345516936,
"volume_molar": 7.125108897337068,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
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"spacegroup": 1
},
{
"id": "mp-13660",
"created_at": "2022-09-04T14:40:24.262807Z",
"structure_string": "Ca4 Sb2 O1\n1.0\n-2.355338 2.355338 8.193530\n2.355338 -2.355338 8.193530\n2.355338 2.355338 -8.193530\nCa Sb O\n4 2 1\ndirect\n0.665304 0.665304 0.000000 Ca\n0.334696 0.334696 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.860462 0.860462 0.000000 Sb\n0.139538 0.139538 0.000000 Sb\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"formula_full": "Ca4 Sb2 O1",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:34:53.765000Z",
"spacegroup": 139
},
{
"id": "mp-1196835",
"created_at": "2022-09-04T14:40:24.261612Z",
"structure_string": "K12 Mo8 O16 F20\n1.0\n6.171356 0.000000 0.000000\n0.000000 9.786582 0.000000\n0.000000 0.000000 15.335287\nK Mo O F\n12 8 16 20\ndirect\n0.500000 0.566776 0.891987 K\n0.500000 0.433224 0.108013 K\n0.000000 0.933224 0.391987 K\n0.000000 0.066776 0.608013 K\n0.500000 0.845807 0.702433 K\n0.500000 0.154193 0.297567 K\n0.000000 0.654193 0.202433 K\n0.000000 0.345807 0.797567 K\n0.000000 0.626264 0.592604 K\n0.000000 0.373736 0.407396 K\n0.500000 0.873736 0.092604 K\n0.500000 0.126264 0.907396 K\n0.500000 0.444489 0.671550 Mo\n0.500000 0.555511 0.328450 Mo\n0.000000 0.055511 0.171550 Mo\n0.000000 0.944489 0.828450 Mo\n0.500000 0.232535 0.530897 Mo\n0.500000 0.767465 0.469103 Mo\n0.000000 0.267465 0.030897 Mo\n0.000000 0.732535 0.969103 Mo\n0.500000 0.093397 0.599865 O\n0.500000 0.906603 0.400135 O\n0.000000 0.406603 0.099864 O\n0.000000 0.593397 0.900135 O\n0.500000 0.337836 0.762225 O\n0.500000 0.662164 0.237775 O\n0.000000 0.162164 0.262225 O\n0.000000 0.837836 0.737775 O\n0.709690 0.356202 0.590640 O\n0.709690 0.643798 0.409360 O\n0.790310 0.143798 0.090640 O\n0.790310 0.856202 0.909360 O\n0.290310 0.643798 0.409360 O\n0.290310 0.356202 0.590640 O\n0.209690 0.856202 0.909360 O\n0.209690 0.143798 0.090640 O\n0.748185 0.158754 0.452314 F\n0.748185 0.841246 0.547686 F\n0.751815 0.341246 0.952314 F\n0.751815 0.658754 0.047686 F\n0.251815 0.841246 0.547686 F\n0.251815 0.158754 0.452314 F\n0.248185 0.658754 0.047686 F\n0.248185 0.341246 0.952314 F\n0.730418 0.569887 0.725647 F\n0.730418 0.430113 0.274353 F\n0.769582 0.930113 0.225647 F\n0.769582 0.069887 0.774353 F\n0.269582 0.430113 0.274353 F\n0.269582 0.569887 0.725647 F\n0.230418 0.069887 0.774353 F\n0.230418 0.930113 0.225647 F\n0.500000 0.621960 0.580690 F\n0.500000 0.378040 0.419310 F\n0.000000 0.878040 0.080690 F\n0.000000 0.121960 0.919310 F\n",
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],
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{
"id": "mp-645513",
"created_at": "2022-09-04T14:40:24.261446Z",
"structure_string": "Hf1 Tl8 Mo6 O24\n1.0\n9.619394 5.093009 0.000000\n-9.619394 5.093009 0.000000\n0.000000 2.555714 7.586321\nHf Tl Mo O\n1 8 6 24\ndirect\n0.000000 0.000000 0.000000 Hf\n0.214873 0.214873 0.358859 Tl\n0.515938 0.863629 0.896881 Tl\n0.666395 0.333605 0.500000 Tl\n0.785127 0.785127 0.641141 Tl\n0.484062 0.136371 0.103119 Tl\n0.333605 0.666395 0.500000 Tl\n0.863629 0.515938 0.896881 Tl\n0.136371 0.484062 0.103119 Tl\n0.944280 0.259777 0.708331 Mo\n0.055720 0.740223 0.291669 Mo\n0.612537 0.612537 0.213252 Mo\n0.740223 0.055720 0.291669 Mo\n0.259777 0.944280 0.708331 Mo\n0.387463 0.387463 0.786748 Mo\n0.059439 0.908895 0.192286 O\n0.935189 0.584597 0.207418 O\n0.908895 0.059439 0.192286 O\n0.757052 0.216936 0.770843 O\n0.940561 0.091105 0.807714 O\n0.242948 0.783064 0.229157 O\n0.676988 0.977298 0.525574 O\n0.562495 0.413210 0.799559 O\n0.022702 0.323012 0.474426 O\n0.216936 0.757052 0.770843 O\n0.415403 0.064811 0.792582 O\n0.437505 0.586790 0.200441 O\n0.785079 0.785079 0.035917 O\n0.783064 0.242948 0.229157 O\n0.323012 0.022702 0.474426 O\n0.413210 0.562495 0.799559 O\n0.977298 0.676988 0.525574 O\n0.584597 0.935189 0.207418 O\n0.064811 0.415403 0.792582 O\n0.349533 0.349533 0.585112 O\n0.214921 0.214921 0.964083 O\n0.091105 0.940561 0.807714 O\n0.650467 0.650467 0.414888 O\n0.586790 0.437505 0.200441 O\n",
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{
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"created_at": "2022-09-04T14:40:24.255314Z",
"structure_string": "Ca3 Al7 Ag2\n1.0\n9.108244 -2.818527 0.000000\n9.108244 2.818527 0.000000\n8.236056 0.000000 4.803288\nCa Al Ag\n3 7 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.143290 0.143290 0.143290 Ca\n0.856710 0.856710 0.856710 Ca\n0.414394 0.414394 0.923693 Al\n0.923693 0.414394 0.414394 Al\n0.500000 0.500000 0.500000 Al\n0.585606 0.585606 0.076307 Al\n0.414394 0.923693 0.414394 Al\n0.076307 0.585606 0.585606 Al\n0.585606 0.076307 0.585606 Al\n0.664329 0.664329 0.664329 Ag\n0.335671 0.335671 0.335671 Ag\n",
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{
"id": "mp-1246261",
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"structure_string": "Na30 Os14 N38\n1.0\n6.238803 -0.037729 -0.029025\n-2.138353 11.495213 0.133386\n-1.395492 -0.241220 17.757389\nNa Os N\n30 14 38\ndirect\n0.529347 0.626349 0.442670 Na\n0.470653 0.373651 0.557330 Na\n0.594623 0.129103 0.641017 Na\n0.405377 0.870897 0.358983 Na\n0.727687 0.032190 0.202992 Na\n0.272313 0.967810 0.797008 Na\n0.902487 0.030287 0.394401 Na\n0.097513 0.969713 0.605599 Na\n0.825193 0.788677 0.286374 Na\n0.174807 0.211323 0.713626 Na\n0.826942 0.159277 0.830507 Na\n0.173058 0.840723 0.169493 Na\n0.872278 0.908185 0.887215 Na\n0.127722 0.091815 0.112785 Na\n0.713888 0.089081 0.006350 Na\n0.286112 0.910919 0.993650 Na\n0.598027 0.896297 0.535299 Na\n0.401973 0.103703 0.464701 Na\n0.673945 0.495957 0.287410 Na\n0.326055 0.504043 0.712590 Na\n0.989342 0.349889 0.020945 Na\n0.010658 0.650111 0.979055 Na\n0.883889 0.659991 0.793626 Na\n0.116111 0.340009 0.206374 Na\n0.783519 0.264105 0.370205 Na\n0.216481 0.735895 0.629795 Na\n0.558301 0.358492 0.844115 Na\n0.441699 0.641508 0.155885 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.605794 0.264018 0.130839 Os\n0.394206 0.735982 0.869161 Os\n0.814470 0.391439 0.696491 Os\n0.185530 0.608561 0.303509 Os\n0.710342 0.644468 0.611082 Os\n0.289658 0.355532 0.388918 Os\n0.999509 0.782528 0.454253 Os\n0.000491 0.217472 0.545747 Os\n0.916239 0.552455 0.133804 Os\n0.083761 0.447545 0.866196 Os\n0.689674 0.886266 0.716436 Os\n0.310326 0.113734 0.283564 Os\n0.708016 0.808029 0.054827 Os\n0.291984 0.191971 0.945173 Os\n0.850917 0.209333 0.118397 N\n0.149083 0.790667 0.881603 N\n0.892937 0.304472 0.616215 N\n0.107063 0.695528 0.383785 N\n0.562107 0.072511 0.324720 N\n0.437893 0.927489 0.675280 N\n0.607930 0.784162 0.793383 N\n0.392070 0.215838 0.206617 N\n0.710632 0.420905 0.162013 N\n0.289368 0.579095 0.837987 N\n0.572910 0.405184 0.414131 N\n0.427090 0.594816 0.585869 N\n0.783752 0.097838 0.517900 N\n0.216248 0.902162 0.482100 N\n0.901191 0.675951 0.528211 N\n0.098809 0.324049 0.471789 N\n0.972131 0.902611 0.060728 N\n0.027869 0.097389 0.939272 N\n0.750874 0.830575 0.418880 N\n0.249126 0.169425 0.581120 N\n0.808693 0.809396 0.640461 N\n0.191307 0.190604 0.359539 N\n0.855579 0.472239 0.913025 N\n0.144421 0.527761 0.086975 N\n0.594593 0.797280 0.953879 N\n0.405407 0.202720 0.046121 N\n0.749568 0.660222 0.084346 N\n0.250432 0.339778 0.915654 N\n0.898632 0.009742 0.747912 N\n0.101368 0.990258 0.252088 N\n0.988728 0.655556 0.224078 N\n0.011272 0.344444 0.775922 N\n0.868317 0.548380 0.671499 N\n0.131683 0.451620 0.328501 N\n0.534311 0.341691 0.713311 N\n0.465689 0.658309 0.286689 N\n0.524552 0.862299 0.112745 N\n0.475448 0.137701 0.887255 N\n",
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