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{
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"results": [
{
"id": "mp-831261",
"created_at": "2022-09-04T14:47:59.358849Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n3.182837 8.233729 0.000000\n-3.182837 8.233729 0.000000\n0.000000 0.149513 14.383744\nLi Mn B O\n10 12 12 36\ndirect\n0.895434 0.895434 0.009941 Li\n0.921183 0.921183 0.641593 Li\n0.684958 0.684958 0.851408 Li\n0.670328 0.670328 0.141938 Li\n0.644789 0.644789 0.508270 Li\n0.435248 0.435248 0.350605 Li\n0.419636 0.419636 0.641118 Li\n0.396001 0.396001 0.009314 Li\n0.170457 0.170457 0.141000 Li\n0.147003 0.147003 0.511646 Li\n0.824575 0.318821 0.989328 Mn\n0.840943 0.336708 0.690303 Mn\n0.575998 0.067634 0.489191 Mn\n0.590308 0.087097 0.190457 Mn\n0.843346 0.338373 0.319495 Mn\n0.588336 0.092889 0.819314 Mn\n0.092889 0.588336 0.819314 Mn\n0.338373 0.843346 0.319495 Mn\n0.087097 0.590308 0.190457 Mn\n0.067634 0.575998 0.489191 Mn\n0.336708 0.840943 0.690303 Mn\n0.318821 0.824575 0.989328 Mn\n0.997144 0.506109 0.003747 B\n0.750196 0.750196 0.664987 B\n0.000141 0.000141 0.162695 B\n0.996035 0.996035 0.833662 B\n0.506109 0.997144 0.003747 B\n0.746929 0.256483 0.503570 B\n0.498948 0.498948 0.832505 B\n0.249225 0.249225 0.332345 B\n0.745850 0.745850 0.333754 B\n0.500797 0.500797 0.163663 B\n0.251013 0.251013 0.660462 B\n0.256483 0.746929 0.503570 B\n0.918063 0.918063 0.872087 O\n0.756802 0.756802 0.237106 O\n0.819179 0.819179 0.719268 O\n0.812788 0.812788 0.390229 O\n0.756026 0.756026 0.569052 O\n0.921688 0.921688 0.196905 O\n0.828259 0.327929 0.544911 O\n0.682614 0.181434 0.559982 O\n0.930854 0.432944 0.060187 O\n0.575351 0.080670 0.045101 O\n0.975725 0.512968 0.909116 O\n0.725843 0.263008 0.408883 O\n0.569117 0.569117 0.219026 O\n0.568098 0.568098 0.887541 O\n0.507651 0.507651 0.067617 O\n0.674347 0.674347 0.709182 O\n0.508401 0.508401 0.735789 O\n0.424678 0.424678 0.207225 O\n0.421901 0.421901 0.872237 O\n0.316890 0.316890 0.719926 O\n0.318809 0.318809 0.386270 O\n0.258139 0.258139 0.235499 O\n0.263746 0.263746 0.564772 O\n0.667762 0.667762 0.371772 O\n0.263008 0.725843 0.408883 O\n0.512968 0.975725 0.909116 O\n0.080670 0.575351 0.045101 O\n0.432944 0.930854 0.060187 O\n0.181434 0.682614 0.559982 O\n0.327929 0.828259 0.544911 O\n0.066941 0.066941 0.220848 O\n0.172376 0.172376 0.372732 O\n0.063277 0.063277 0.889432 O\n0.006799 0.006799 0.736875 O\n0.011615 0.011615 0.066987 O\n0.172068 0.172068 0.693506 O\n",
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"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
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"energy": -560.5730060300001,
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"updated_at": "2021-11-28T01:38:25.068000Z",
"spacegroup": 8
},
{
"id": "mp-25985",
"created_at": "2022-09-04T14:44:58.802301Z",
"structure_string": "Li4 Cr4 P16 O48\n1.0\n8.371418 0.000000 0.000000\n0.000000 9.254804 0.000000\n0.000000 0.000000 12.731737\nLi Cr P O\n4 4 16 48\ndirect\n0.003043 0.750000 0.000000 Li\n0.503043 0.750000 0.500000 Li\n0.496957 0.250000 0.500000 Li\n0.996957 0.250000 0.000000 Li\n0.868599 0.750000 0.500000 Cr\n0.131401 0.250000 0.500000 Cr\n0.631401 0.250000 0.000000 Cr\n0.368599 0.750000 0.000000 Cr\n0.464393 0.488928 0.850325 P\n0.535607 0.988928 0.850325 P\n0.964393 0.488928 0.649675 P\n0.180795 0.994525 0.861443 P\n0.180795 0.505475 0.138557 P\n0.819205 0.005475 0.138557 P\n0.464393 0.011072 0.149675 P\n0.535607 0.511072 0.149675 P\n0.035607 0.511072 0.350325 P\n0.964393 0.011072 0.350325 P\n0.319205 0.005475 0.361443 P\n0.680795 0.505475 0.361443 P\n0.319205 0.494525 0.638557 P\n0.680795 0.994525 0.638557 P\n0.035607 0.988928 0.649675 P\n0.819205 0.494525 0.861443 P\n0.866443 0.879221 0.375866 O\n0.466263 0.369121 0.930736 O\n0.533737 0.869121 0.930736 O\n0.807261 0.366187 0.935976 O\n0.192739 0.633813 0.064024 O\n0.807261 0.133813 0.064024 O\n0.466263 0.130879 0.069264 O\n0.533737 0.630879 0.069264 O\n0.094258 0.374940 0.103779 O\n0.905742 0.874940 0.103779 O\n0.366443 0.879221 0.124134 O\n0.633557 0.379221 0.124134 O\n0.357244 0.463577 0.179628 O\n0.642756 0.963577 0.179628 O\n0.102695 0.576600 0.243140 O\n0.897305 0.076600 0.243140 O\n0.397305 0.076600 0.256860 O\n0.602695 0.576600 0.256860 O\n0.142756 0.963577 0.320372 O\n0.857244 0.463577 0.320372 O\n0.133557 0.379221 0.375866 O\n0.192739 0.866187 0.935976 O\n0.405742 0.874940 0.396221 O\n0.594258 0.374940 0.396221 O\n0.033737 0.630879 0.430736 O\n0.966263 0.130879 0.430736 O\n0.307261 0.133813 0.435976 O\n0.692739 0.633813 0.435976 O\n0.307261 0.366187 0.564024 O\n0.692739 0.866187 0.564024 O\n0.033737 0.869121 0.569264 O\n0.966263 0.369121 0.569264 O\n0.405742 0.625060 0.603779 O\n0.594258 0.125060 0.603779 O\n0.133557 0.120779 0.624134 O\n0.866443 0.620779 0.624134 O\n0.142756 0.536423 0.679628 O\n0.857244 0.036423 0.679628 O\n0.397305 0.423400 0.743140 O\n0.602695 0.923400 0.743140 O\n0.102695 0.923400 0.756860 O\n0.897305 0.423400 0.756860 O\n0.357244 0.036423 0.820372 O\n0.642756 0.536423 0.820372 O\n0.366443 0.620779 0.875866 O\n0.905742 0.625060 0.896221 O\n0.094258 0.125060 0.896221 O\n0.633557 0.120779 0.875866 O\n",
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"elements": [
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],
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"density": 2.5239669642803837,
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"volume": 986.4019269646365,
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"formula_full": "Li4 Cr4 P16 O48",
"formula_reduced": "LiCr(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -560.57627814,
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"updated_at": "2021-11-28T01:36:51.891000Z",
"spacegroup": 60
},
{
"id": "mp-560798",
"created_at": "2022-09-04T14:43:12.717379Z",
"structure_string": "Ba12 Dy8 P16 S64\n1.0\n10.422520 0.000000 0.000000\n0.000000 12.763902 0.000000\n0.000000 0.000000 19.446524\nBa Dy P S\n12 8 16 64\ndirect\n0.210458 0.608242 0.227233 Ba\n0.116915 0.250000 0.000000 Ba\n0.616915 0.250000 0.500000 Ba\n0.210458 0.891758 0.772767 Ba\n0.289542 0.108242 0.272767 Ba\n0.289542 0.391758 0.727233 Ba\n0.710458 0.608242 0.272767 Ba\n0.710458 0.891758 0.727233 Ba\n0.383085 0.750000 0.500000 Ba\n0.883085 0.750000 0.000000 Ba\n0.789542 0.108242 0.227233 Ba\n0.789542 0.391758 0.772767 Ba\n0.628581 0.387392 0.073462 Dy\n0.871419 0.887392 0.426538 Dy\n0.128581 0.387392 0.426538 Dy\n0.371419 0.612608 0.926538 Dy\n0.628581 0.112608 0.926538 Dy\n0.128581 0.112608 0.573462 Dy\n0.371419 0.887392 0.073462 Dy\n0.871419 0.612608 0.573462 Dy\n0.995816 0.139832 0.397888 P\n0.436997 0.048498 0.631000 P\n0.063003 0.951502 0.131000 P\n0.495816 0.139832 0.102112 P\n0.936997 0.451502 0.131000 P\n0.004184 0.860168 0.602112 P\n0.495816 0.360168 0.897888 P\n0.063003 0.548498 0.869000 P\n0.504184 0.639832 0.102112 P\n0.563003 0.951502 0.369000 P\n0.436997 0.451502 0.369000 P\n0.995816 0.360168 0.602112 P\n0.004184 0.639832 0.397888 P\n0.936997 0.048498 0.869000 P\n0.504184 0.860168 0.897888 P\n0.563003 0.548498 0.631000 P\n0.995533 0.514439 0.333126 S\n0.679515 0.169453 0.068013 S\n0.388499 0.098704 0.016771 S\n0.114490 0.105699 0.850295 S\n0.385510 0.894301 0.350295 S\n0.111501 0.598704 0.483229 S\n0.614490 0.105699 0.649705 S\n0.569327 0.387996 0.647048 S\n0.611501 0.598704 0.016771 S\n0.820485 0.669453 0.431987 S\n0.291240 0.386660 0.308839 S\n0.004467 0.485561 0.666874 S\n0.930673 0.612004 0.147048 S\n0.120143 0.914490 0.032599 S\n0.708760 0.613340 0.691161 S\n0.791240 0.386660 0.191161 S\n0.879857 0.085510 0.967401 S\n0.564210 0.769862 0.151035 S\n0.791240 0.113340 0.808839 S\n0.935790 0.230138 0.651035 S\n0.388499 0.401296 0.983229 S\n0.291240 0.113340 0.691161 S\n0.885510 0.605699 0.850295 S\n0.888499 0.401296 0.516771 S\n0.995533 0.985561 0.666874 S\n0.495533 0.514439 0.166874 S\n0.885510 0.894301 0.149705 S\n0.179515 0.169453 0.431987 S\n0.435790 0.269862 0.151035 S\n0.379857 0.085510 0.532599 S\n0.004467 0.014439 0.333126 S\n0.435790 0.230138 0.848965 S\n0.614490 0.394301 0.350295 S\n0.879857 0.414490 0.032599 S\n0.208760 0.886660 0.191161 S\n0.620143 0.914490 0.467401 S\n0.620143 0.585510 0.532599 S\n0.504467 0.014439 0.166874 S\n0.114490 0.394301 0.149705 S\n0.888499 0.098704 0.483229 S\n0.379857 0.414490 0.467401 S\n0.069327 0.387996 0.852952 S\n0.069327 0.112004 0.147048 S\n0.564210 0.730138 0.848965 S\n0.930673 0.887996 0.852952 S\n0.495533 0.985561 0.833126 S\n0.504467 0.485561 0.833126 S\n0.430673 0.887996 0.647048 S\n0.611501 0.901296 0.983229 S\n0.320485 0.669453 0.068013 S\n0.064210 0.769862 0.348965 S\n0.385510 0.605699 0.649705 S\n0.430673 0.612004 0.352952 S\n0.820485 0.830547 0.568013 S\n0.320485 0.830547 0.931987 S\n0.179515 0.330547 0.568013 S\n0.120143 0.585510 0.967401 S\n0.064210 0.730138 0.651035 S\n0.935790 0.269862 0.348965 S\n0.679515 0.330547 0.931987 S\n0.208760 0.613340 0.808839 S\n0.708760 0.886660 0.308839 S\n0.569327 0.112004 0.352952 S\n0.111501 0.901296 0.516771 S\n",
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{
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"structure_string": "Li4 Fe4 P16 O52\n1.0\n8.879661 0.000000 0.000000\n4.061938 9.433801 0.000000\n1.336556 2.167507 13.518726\nLi Fe P O\n4 4 16 52\ndirect\n0.860273 0.806076 0.997390 Li\n0.640937 0.695488 0.004117 Li\n0.179080 0.197660 0.992247 Li\n0.509778 0.030516 0.501300 Li\n0.185125 0.761240 0.743364 Fe\n0.308916 0.744518 0.261367 Fe\n0.687897 0.255724 0.750192 Fe\n0.814159 0.245034 0.250516 Fe\n0.612543 0.963127 0.822833 P\n0.677372 0.993140 0.300307 P\n0.830260 0.964527 0.644272 P\n0.102054 0.473851 0.818089 P\n0.184556 0.482874 0.294771 P\n0.544323 0.553191 0.845337 P\n0.333301 0.462510 0.644402 P\n0.951511 0.945425 0.158700 P\n0.053163 0.055491 0.846319 P\n0.666325 0.538031 0.357452 P\n0.454197 0.451225 0.149795 P\n0.807210 0.521535 0.697108 P\n0.887446 0.538622 0.180245 P\n0.167880 0.041458 0.360601 P\n0.324333 0.011903 0.703316 P\n0.391705 0.028357 0.183033 P\n0.063111 0.906642 0.834708 O\n0.005089 0.854268 0.644581 O\n0.303096 0.881826 0.679018 O\n0.444701 0.954402 0.797923 O\n0.188008 0.888787 0.351170 O\n0.126312 0.830448 0.168370 O\n0.080180 0.628694 0.814652 O\n0.669690 0.859837 0.917190 O\n0.418734 0.870592 0.191870 O\n0.366813 0.662728 0.841617 O\n0.736774 0.898410 0.734912 O\n0.617851 0.915954 0.387840 O\n0.313248 0.613087 0.656689 O\n0.056801 0.545347 0.204912 O\n0.203845 0.610678 0.324963 O\n0.143273 0.374993 0.913466 O\n0.268996 0.464757 0.544318 O\n0.491305 0.647984 0.355328 O\n0.230169 0.404787 0.732799 O\n0.848218 0.894300 0.253165 O\n0.884850 0.938623 0.063935 O\n0.616566 0.560512 0.938578 O\n0.638536 0.612292 0.750621 O\n0.138699 0.385530 0.375574 O\n0.441555 0.600612 0.164175 O\n0.561168 0.403092 0.833669 O\n0.852017 0.614934 0.612682 O\n0.367937 0.473965 0.053000 O\n0.352413 0.393206 0.239733 O\n0.123290 0.060738 0.940975 O\n0.155466 0.109022 0.753008 O\n0.765559 0.602244 0.269589 O\n0.508016 0.350021 0.649757 O\n0.743822 0.514578 0.457368 O\n0.829016 0.642907 0.086563 O\n0.932555 0.474580 0.786050 O\n0.795635 0.385687 0.676377 O\n0.684992 0.389333 0.340717 O\n0.384741 0.096955 0.621835 O\n0.268952 0.097702 0.269842 O\n0.627069 0.338632 0.152451 O\n0.590028 0.117521 0.820477 O\n0.244910 0.033859 0.457166 O\n0.337970 0.120889 0.086571 O\n0.910863 0.384471 0.181329 O\n0.878260 0.170153 0.839896 O\n0.816685 0.112304 0.661867 O\n0.692994 0.128761 0.318826 O\n0.559982 0.037723 0.206856 O\n0.740936 0.992695 0.548662 O\n0.992050 0.150165 0.352672 O\n0.940600 0.095097 0.168329 O\n",
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{
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"elements": [
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],
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},
{
"id": "mp-14529",
"created_at": "2022-09-04T14:43:08.788622Z",
"structure_string": "Rb8 Ni8 Mo12 O48\n1.0\n9.394662 0.000000 0.000000\n0.000000 7.098792 0.000000\n0.000000 6.525848 19.301762\nRb Ni Mo O\n8 8 12 48\ndirect\n0.478517 0.517435 0.763579 Rb\n0.461483 0.190367 0.091749 Rb\n0.038517 0.190367 0.591749 Rb\n0.538517 0.809633 0.908251 Rb\n0.021483 0.517435 0.263579 Rb\n0.521483 0.482565 0.236421 Rb\n0.961483 0.809633 0.408251 Rb\n0.978517 0.482565 0.736421 Rb\n0.359567 0.730735 0.363544 Ni\n0.859567 0.269265 0.136456 Ni\n0.140433 0.730735 0.863544 Ni\n0.640433 0.269265 0.636456 Ni\n0.424963 0.074875 0.558461 Ni\n0.924963 0.925125 0.941539 Ni\n0.575037 0.925125 0.441539 Ni\n0.075037 0.074875 0.058461 Ni\n0.156939 0.589911 0.037412 Mo\n0.343061 0.589911 0.537412 Mo\n0.843061 0.410089 0.962588 Mo\n0.656939 0.410089 0.462588 Mo\n0.720100 0.801234 0.598113 Mo\n0.220100 0.198766 0.901887 Mo\n0.279900 0.198766 0.401887 Mo\n0.779900 0.801234 0.098113 Mo\n0.832721 0.949844 0.774615 Mo\n0.332721 0.050156 0.725385 Mo\n0.167279 0.050156 0.225385 Mo\n0.667279 0.949844 0.274615 Mo\n0.748625 0.370040 0.042768 O\n0.248625 0.629960 0.457232 O\n0.251375 0.629960 0.957232 O\n0.751375 0.370040 0.542768 O\n0.953872 0.639620 0.934349 O\n0.453872 0.360380 0.565651 O\n0.046128 0.360380 0.065651 O\n0.546128 0.639620 0.434349 O\n0.947373 0.189283 0.963925 O\n0.447373 0.810717 0.536075 O\n0.052627 0.810717 0.036075 O\n0.552627 0.189283 0.463925 O\n0.708277 0.440231 0.901649 O\n0.208277 0.559769 0.598351 O\n0.291723 0.559769 0.098351 O\n0.791723 0.440231 0.401649 O\n0.610955 0.998482 0.614029 O\n0.110955 0.001518 0.885971 O\n0.657314 0.553154 0.644228 O\n0.389045 0.001518 0.385971 O\n0.744473 0.842815 0.506492 O\n0.244473 0.157185 0.993508 O\n0.255527 0.157185 0.493508 O\n0.755527 0.842815 0.006492 O\n0.891572 0.822222 0.629335 O\n0.391572 0.177778 0.870665 O\n0.108428 0.177778 0.370665 O\n0.608428 0.822222 0.129335 O\n0.495044 0.831649 0.280113 O\n0.995044 0.168351 0.219887 O\n0.504956 0.168351 0.719887 O\n0.004956 0.831649 0.780113 O\n0.799497 0.776173 0.272550 O\n0.299497 0.223827 0.227450 O\n0.200503 0.223827 0.727450 O\n0.700503 0.776173 0.772550 O\n0.693006 0.019097 0.351999 O\n0.193006 0.980903 0.148001 O\n0.306994 0.980903 0.648001 O\n0.806994 0.019097 0.851999 O\n0.681350 0.169356 0.197512 O\n0.181350 0.830644 0.302488 O\n0.318650 0.830644 0.802488 O\n0.818650 0.169356 0.697512 O\n0.842686 0.553154 0.144228 O\n0.342686 0.446846 0.355772 O\n0.157314 0.446846 0.855772 O\n0.889045 0.998482 0.114029 O\n",
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"formula_full": "Rb8 Ni8 Mo12 O48",
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},
{
"id": "mp-30001",
"created_at": "2022-09-04T14:45:56.195520Z",
"structure_string": "Ba32 Nb10 N38\n1.0\n11.143843 0.000000 0.000000\n-1.571086 11.496125 0.000000\n-2.911354 -3.972963 13.691112\nBa Nb N\n32 10 38\ndirect\n0.846809 0.337975 0.987292 Ba\n0.153191 0.662025 0.012708 Ba\n0.897169 0.812038 0.138297 Ba\n0.102831 0.187962 0.861703 Ba\n0.013528 0.126364 0.388665 Ba\n0.986472 0.873636 0.611335 Ba\n0.383113 0.124065 0.461535 Ba\n0.616887 0.875935 0.538465 Ba\n0.507721 0.233259 0.923439 Ba\n0.492279 0.766741 0.076561 Ba\n0.340158 0.001234 0.691214 Ba\n0.659842 0.998766 0.308786 Ba\n0.114125 0.841443 0.387461 Ba\n0.885875 0.158557 0.612539 Ba\n0.629232 0.307936 0.720741 Ba\n0.370768 0.692064 0.279259 Ba\n0.219207 0.380865 0.358723 Ba\n0.780793 0.619135 0.641277 Ba\n0.914472 0.514236 0.395806 Ba\n0.085528 0.485764 0.604194 Ba\n0.370521 0.490107 0.866310 Ba\n0.629479 0.509893 0.133690 Ba\n0.684330 0.004314 0.009327 Ba\n0.315670 0.995686 0.990673 Ba\n0.046385 0.151670 0.117594 Ba\n0.953615 0.848330 0.882406 Ba\n0.531206 0.775009 0.784628 Ba\n0.468794 0.224991 0.215372 Ba\n0.438542 0.469410 0.609950 Ba\n0.561458 0.530590 0.390050 Ba\n0.046293 0.539915 0.201230 Ba\n0.953707 0.460085 0.798770 Ba\n0.795805 0.238570 0.220911 Nb\n0.204195 0.761430 0.779089 Nb\n0.315242 0.710087 0.527047 Nb\n0.684758 0.289913 0.472953 Nb\n0.716021 0.596630 0.915349 Nb\n0.283979 0.403370 0.084651 Nb\n0.215766 0.246051 0.645199 Nb\n0.784234 0.753949 0.354801 Nb\n0.771832 0.059599 0.806037 Nb\n0.228168 0.940401 0.193963 Nb\n0.280768 0.723784 0.661620 N\n0.719232 0.276216 0.338380 N\n0.819174 0.071496 0.192663 N\n0.180826 0.928504 0.807337 N\n0.964759 0.336051 0.250555 N\n0.035241 0.663949 0.749445 N\n0.674418 0.253276 0.105592 N\n0.325582 0.746724 0.894408 N\n0.351664 0.870706 0.509996 N\n0.648336 0.129294 0.490004 N\n0.172717 0.612431 0.417568 N\n0.827283 0.387569 0.582432 N\n0.473895 0.653252 0.528259 N\n0.526105 0.346748 0.471741 N\n0.897488 0.606513 0.961030 N\n0.102512 0.393487 0.038970 N\n0.653672 0.572414 0.771715 N\n0.346328 0.427586 0.228285 N\n0.631547 0.450213 0.942073 N\n0.368453 0.549787 0.057927 N\n0.679598 0.751865 0.986989 N\n0.320402 0.248135 0.013011 N\n0.209838 0.313946 0.530889 N\n0.790162 0.686054 0.469111 N\n0.863645 0.650396 0.263373 N\n0.136355 0.349604 0.736627 N\n0.390508 0.253743 0.712396 N\n0.609492 0.746257 0.287604 N\n0.124816 0.078742 0.599757 N\n0.875184 0.921258 0.400243 N\n0.171045 0.777096 0.210170 N\n0.828955 0.222904 0.789830 N\n0.595971 0.029893 0.816277 N\n0.404029 0.970107 0.183723 N\n0.874065 0.066855 0.936076 N\n0.125935 0.933145 0.063924 N\n0.189298 0.070263 0.294618 N\n0.810702 0.929737 0.705382 N\n",
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],
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"formula_full": "Ba32 Nb10 N38",
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},
{
"id": "mp-1177097",
"created_at": "2022-09-04T14:47:26.294215Z",
"structure_string": "Li8 Fe7 Cu1 P12 O48\n1.0\n8.671442 0.000000 0.000000\n0.006873 8.811271 0.000000\n0.009798 0.000811 12.238129\nLi Fe Cu P O\n8 7 1 12 48\ndirect\n0.216562 0.722112 0.181785 Li\n0.216543 0.777876 0.818490 Li\n0.283375 0.222003 0.318429 Li\n0.283761 0.278029 0.681414 Li\n0.715698 0.721800 0.318718 Li\n0.716402 0.776367 0.681851 Li\n0.784045 0.221977 0.181829 Li\n0.784375 0.277848 0.816386 Li\n0.249236 0.959242 0.613501 Fe\n0.249274 0.540663 0.386872 Fe\n0.250385 0.041226 0.112894 Fe\n0.249972 0.458688 0.886743 Fe\n0.749851 0.541229 0.112392 Fe\n0.749555 0.959173 0.886752 Fe\n0.750718 0.040464 0.386652 Fe\n0.753233 0.458658 0.610243 Cu\n0.106156 0.392951 0.146837 P\n0.106052 0.106473 0.852833 P\n0.395098 0.605333 0.646680 P\n0.393620 0.893096 0.353110 P\n0.605833 0.107589 0.646139 P\n0.607137 0.392441 0.353308 P\n0.894461 0.607395 0.851814 P\n0.893979 0.892789 0.146745 P\n0.038207 0.251111 0.500015 P\n0.460327 0.749931 0.999917 P\n0.540052 0.250131 0.999902 P\n0.959361 0.748526 0.499263 P\n0.056117 0.641113 0.429305 O\n0.056644 0.855961 0.569981 O\n0.072671 0.895340 0.155139 O\n0.073129 0.604761 0.843414 O\n0.148470 0.163283 0.578242 O\n0.147978 0.337951 0.421193 O\n0.156815 0.433621 0.030566 O\n0.157550 0.066101 0.969057 O\n0.163129 0.232812 0.180062 O\n0.163535 0.266603 0.819838 O\n0.173724 0.513292 0.226390 O\n0.173234 0.985968 0.773110 O\n0.326540 0.013629 0.273651 O\n0.327351 0.485522 0.726256 O\n0.337986 0.766234 0.679726 O\n0.336215 0.732919 0.320311 O\n0.344010 0.565245 0.530591 O\n0.341738 0.933474 0.469558 O\n0.351124 0.837499 0.078552 O\n0.351065 0.662392 0.921515 O\n0.426896 0.104273 0.654837 O\n0.427917 0.395030 0.344219 O\n0.443082 0.143020 0.070395 O\n0.442550 0.357288 0.929953 O\n0.557344 0.642825 0.070351 O\n0.557245 0.857161 0.929540 O\n0.573744 0.607478 0.657052 O\n0.572206 0.895499 0.345151 O\n0.649270 0.337538 0.078501 O\n0.649101 0.162811 0.921174 O\n0.656926 0.068214 0.529993 O\n0.650286 0.439349 0.469932 O\n0.664594 0.232767 0.320158 O\n0.661706 0.268093 0.681030 O\n0.673342 0.513006 0.272999 O\n0.673134 0.987365 0.725907 O\n0.826696 0.013065 0.226341 O\n0.823517 0.485089 0.775374 O\n0.836813 0.732437 0.179727 O\n0.837391 0.767711 0.819414 O\n0.843121 0.565328 0.968118 O\n0.842826 0.933172 0.030531 O\n0.853033 0.663258 0.581955 O\n0.850696 0.836848 0.421165 O\n0.927451 0.104066 0.844856 O\n0.927405 0.396074 0.155504 O\n0.940787 0.144915 0.430165 O\n0.948631 0.357479 0.577688 O\n",
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"density": 2.92950857868578,
"density_atomic": 0.08127719056365353,
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"volume_molar": 7.409385976848775,
"formula_full": "Li8 Fe7 Cu1 P12 O48",
"formula_reduced": "Li8Fe7Cu(PO4)12",
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"energy": -560.73545291,
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"updated_at": "2021-11-28T01:38:10.935000Z",
"spacegroup": 1
}
]
}