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{
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"results": [
{
"id": "mp-1196714",
"created_at": "2022-09-04T14:42:39.725797Z",
"structure_string": "Rb4 Th8 F36\n1.0\n7.262810 0.000000 0.000000\n0.000000 8.979101 0.000000\n0.000000 0.000000 12.020103\nRb Th F\n4 8 36\ndirect\n0.639056 0.966178 0.250000 Rb\n0.860944 0.466178 0.250000 Rb\n0.360944 0.033822 0.750000 Rb\n0.139056 0.533822 0.750000 Rb\n0.151568 0.825146 0.448602 Th\n0.348432 0.325146 0.051398 Th\n0.848432 0.174854 0.948602 Th\n0.651568 0.674854 0.551398 Th\n0.848432 0.174854 0.551398 Th\n0.651568 0.674854 0.948602 Th\n0.151568 0.825146 0.051398 Th\n0.348432 0.325146 0.448602 Th\n0.426466 0.493901 0.595695 F\n0.073534 0.993901 0.904305 F\n0.573534 0.506099 0.095695 F\n0.926466 0.006099 0.404305 F\n0.573534 0.506099 0.404305 F\n0.926466 0.006099 0.095695 F\n0.426466 0.493901 0.904305 F\n0.073534 0.993901 0.595695 F\n0.466976 0.786478 0.093122 F\n0.033024 0.286478 0.406878 F\n0.533024 0.213522 0.593122 F\n0.966976 0.713522 0.906878 F\n0.533024 0.213522 0.906878 F\n0.966976 0.713522 0.593122 F\n0.466976 0.786478 0.406878 F\n0.033024 0.286478 0.093122 F\n0.352499 0.779238 0.603366 F\n0.147501 0.279238 0.896634 F\n0.647501 0.220762 0.103366 F\n0.852499 0.720762 0.396634 F\n0.647501 0.220762 0.396634 F\n0.852499 0.720762 0.103366 F\n0.352499 0.779238 0.896634 F\n0.147501 0.279238 0.603366 F\n0.195517 0.563172 0.420626 F\n0.304483 0.063172 0.079374 F\n0.804483 0.436828 0.920626 F\n0.695517 0.936828 0.579374 F\n0.804483 0.436828 0.579374 F\n0.695517 0.936828 0.920626 F\n0.195517 0.563172 0.079374 F\n0.304483 0.063172 0.420626 F\n0.160908 0.822306 0.250000 F\n0.339092 0.322306 0.250000 F\n0.839092 0.177694 0.750000 F\n0.660908 0.677694 0.750000 F\n",
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"formula_full": "Rb4 Th8 F36",
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"updated_at": "2021-11-28T01:35:50.594000Z",
"spacegroup": 62
},
{
"id": "mp-776412",
"created_at": "2022-09-04T14:40:29.636422Z",
"structure_string": "Li4 Mn4 P8 O28\n1.0\n6.603907 0.000000 0.000000\n0.000000 4.956722 0.000000\n0.000000 0.464967 16.594846\nLi Mn P O\n4 4 8 28\ndirect\n0.478779 0.243714 0.759580 Li\n0.021221 0.243714 0.259580 Li\n0.978779 0.756286 0.740420 Li\n0.521221 0.756286 0.240420 Li\n0.081759 0.249168 0.626232 Mn\n0.418241 0.249168 0.126232 Mn\n0.581759 0.750832 0.873768 Mn\n0.918241 0.750832 0.373768 Mn\n0.296656 0.240140 0.926473 P\n0.203344 0.240140 0.426473 P\n0.903191 0.249914 0.836994 P\n0.596809 0.249914 0.336994 P\n0.403191 0.750086 0.663006 P\n0.096809 0.750086 0.163006 P\n0.796656 0.759860 0.573527 P\n0.703344 0.759860 0.073527 P\n0.840555 0.462312 0.594860 O\n0.659445 0.462312 0.094860 O\n0.739395 0.428344 0.871624 O\n0.760605 0.428344 0.371624 O\n0.012142 0.372133 0.763888 O\n0.487858 0.372133 0.263888 O\n0.058386 0.194776 0.909253 O\n0.441614 0.194776 0.409253 O\n0.177485 0.149500 0.512309 O\n0.322515 0.149500 0.012309 O\n0.407112 0.064019 0.863198 O\n0.092888 0.064019 0.363198 O\n0.309325 0.028836 0.683048 O\n0.190675 0.028836 0.183048 O\n0.809325 0.971164 0.816952 O\n0.690675 0.971164 0.316952 O\n0.907112 0.935981 0.636802 O\n0.592888 0.935981 0.136802 O\n0.677485 0.850500 0.987691 O\n0.822515 0.850500 0.487691 O\n0.558386 0.805224 0.590747 O\n0.941614 0.805224 0.090747 O\n0.512142 0.627867 0.736112 O\n0.987858 0.627867 0.236112 O\n0.239395 0.571656 0.628376 O\n0.260605 0.571656 0.128376 O\n0.340555 0.537688 0.905140 O\n0.159445 0.537688 0.405140 O\n",
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"elements": [
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],
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"density_atomic": 0.08099979865533795,
"volume": 543.2112268232208,
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"formula_full": "Li4 Mn4 P8 O28",
"formula_reduced": "LiMnP2O7",
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},
{
"id": "mp-770686",
"created_at": "2022-09-04T14:41:23.761505Z",
"structure_string": "Li12 Mn4 Al8 O24\n1.0\n5.600107 0.000000 0.000000\n0.000000 9.788297 0.000000\n0.000000 6.493407 9.251723\nLi Mn Al O\n12 4 8 24\ndirect\n0.244441 0.426126 0.963676 Li\n0.002497 0.245091 0.235606 Li\n0.744441 0.573874 0.536324 Li\n0.753329 0.078566 0.134190 Li\n0.497503 0.245091 0.735606 Li\n0.253329 0.921434 0.365810 Li\n0.746671 0.078566 0.634190 Li\n0.502497 0.754909 0.264394 Li\n0.246671 0.921434 0.865810 Li\n0.255559 0.426126 0.463676 Li\n0.997503 0.754909 0.764394 Li\n0.755559 0.573874 0.036324 Li\n0.502582 0.248142 0.243441 Mn\n0.997418 0.248142 0.743441 Mn\n0.002582 0.751858 0.256559 Mn\n0.497418 0.751858 0.756559 Mn\n0.236336 0.623847 0.605266 Al\n0.736336 0.376153 0.894734 Al\n0.741591 0.872942 0.478242 Al\n0.241591 0.127058 0.021758 Al\n0.758409 0.872942 0.978242 Al\n0.258409 0.127058 0.521758 Al\n0.263664 0.623847 0.105266 Al\n0.763664 0.376153 0.394734 Al\n0.722028 0.572528 0.867424 O\n0.243364 0.611493 0.767935 O\n0.493452 0.742069 0.498501 O\n0.993452 0.257931 0.001499 O\n0.743364 0.388507 0.732065 O\n0.747118 0.892808 0.624421 O\n0.493920 0.246832 0.012994 O\n0.222028 0.427472 0.632576 O\n0.724393 0.067298 0.308384 O\n0.224393 0.932702 0.191616 O\n0.993920 0.753168 0.487006 O\n0.247118 0.107192 0.875579 O\n0.752882 0.892808 0.124421 O\n0.006080 0.246832 0.512994 O\n0.775607 0.067298 0.808384 O\n0.275607 0.932702 0.691616 O\n0.777972 0.572528 0.367424 O\n0.506080 0.753168 0.987006 O\n0.252882 0.107192 0.375579 O\n0.256636 0.611493 0.267935 O\n0.006548 0.742069 0.998501 O\n0.506548 0.257931 0.501499 O\n0.756636 0.388507 0.232065 O\n0.277972 0.427472 0.132576 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 2.9563377589620146,
"density_atomic": 0.09464880880764524,
"volume": 507.13791969162963,
"volume_molar": 6.3626165356595195,
"formula_full": "Li12 Mn4 Al8 O24",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy": -337.9967446,
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},
{
"id": "mp-707071",
"created_at": "2022-09-04T14:39:10.515921Z",
"structure_string": "Zn2 H20 C8 N12 Cl4 O8\n1.0\n7.366455 0.000000 0.000000\n0.000000 8.150436 0.000000\n0.000000 6.684194 9.612857\nZn H C N Cl O\n2 20 8 12 4 8\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.147214 0.667826 0.801061 H\n0.647214 0.332174 0.698939 H\n0.852786 0.332174 0.198939 H\n0.352786 0.667826 0.301061 H\n0.928300 0.599969 0.790299 H\n0.428300 0.400031 0.709701 H\n0.071700 0.400031 0.209701 H\n0.571700 0.599969 0.290299 H\n0.401901 0.883382 0.981440 H\n0.901901 0.116618 0.518560 H\n0.598099 0.116618 0.018560 H\n0.098099 0.883382 0.481440 H\n0.428057 0.762435 0.896437 H\n0.928057 0.237565 0.603563 H\n0.571943 0.237565 0.103563 H\n0.071943 0.762435 0.396437 H\n0.689546 0.700722 0.849855 H\n0.189546 0.299278 0.650145 H\n0.310454 0.299278 0.150145 H\n0.810454 0.700722 0.349855 H\n0.952655 0.765688 0.874763 C\n0.452655 0.234312 0.625237 C\n0.047345 0.234312 0.125237 C\n0.547345 0.765688 0.374763 C\n0.663436 0.839342 0.949517 C\n0.163436 0.160658 0.550483 C\n0.336564 0.160658 0.050483 C\n0.836564 0.839342 0.449517 C\n0.765328 0.760552 0.891902 N\n0.265328 0.239448 0.608098 N\n0.234672 0.239448 0.108098 N\n0.734672 0.760552 0.391902 N\n0.011145 0.671761 0.817891 N\n0.511145 0.328239 0.682109 N\n0.988855 0.328239 0.182109 N\n0.488855 0.671761 0.317891 N\n0.483994 0.819393 0.946631 N\n0.983994 0.180607 0.553369 N\n0.516006 0.180607 0.053369 N\n0.016006 0.819393 0.446631 N\n0.445214 0.671166 0.741511 Cl\n0.945214 0.328834 0.758489 Cl\n0.554786 0.328834 0.258489 Cl\n0.054786 0.671166 0.241511 Cl\n0.061878 0.849848 0.908642 O\n0.561878 0.150152 0.591358 O\n0.938122 0.150152 0.091358 O\n0.438122 0.849848 0.408642 O\n0.731779 0.922503 0.003543 O\n0.231779 0.077497 0.496457 O\n0.268221 0.077497 0.996457 O\n0.768221 0.922503 0.503543 O\n",
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"density": 1.9706799766693444,
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"volume_molar": 6.436488625775543,
"formula_full": "Zn2 H20 C8 N12 Cl4 O8",
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},
{
"id": "mp-1197422",
"created_at": "2022-09-04T14:40:04.108344Z",
"structure_string": "Ca4 B12 O32\n1.0\n11.731714 0.000000 0.000000\n0.000000 6.316021 0.000000\n0.000000 3.482185 7.999999\nCa B O\n4 12 32\ndirect\n0.271248 0.337932 0.107328 Ca\n0.771248 0.662068 0.392672 Ca\n0.728752 0.662068 0.892672 Ca\n0.228752 0.337932 0.607328 Ca\n0.302688 0.782444 0.831946 B\n0.802688 0.217556 0.668054 B\n0.697312 0.217556 0.168054 B\n0.197312 0.782444 0.331946 B\n0.311768 0.934479 0.520022 B\n0.811768 0.065521 0.979978 B\n0.688232 0.065521 0.479978 B\n0.188232 0.934479 0.020022 B\n0.448023 0.621510 0.697808 B\n0.948023 0.378490 0.802192 B\n0.551977 0.378490 0.302192 B\n0.051977 0.621510 0.197808 B\n0.235623 0.770415 0.483116 O\n0.735623 0.229585 0.016884 O\n0.764377 0.229585 0.516884 O\n0.264377 0.770415 0.983116 O\n0.271191 0.946182 0.680645 O\n0.771191 0.053818 0.819355 O\n0.728809 0.053818 0.319355 O\n0.228809 0.946182 0.180645 O\n0.297989 0.167762 0.395859 O\n0.797989 0.832238 0.104141 O\n0.702011 0.832238 0.604141 O\n0.202011 0.167762 0.895859 O\n0.374152 0.601410 0.842426 O\n0.874152 0.398590 0.657574 O\n0.625848 0.398590 0.157574 O\n0.125848 0.601410 0.342426 O\n0.426256 0.829507 0.545541 O\n0.926256 0.170493 0.954459 O\n0.573744 0.170493 0.454459 O\n0.073744 0.829507 0.045541 O\n0.565557 0.595177 0.752817 O\n0.065557 0.404823 0.747183 O\n0.434443 0.404823 0.247183 O\n0.934443 0.595177 0.252817 O\n0.422913 0.437869 0.646401 O\n0.922913 0.562131 0.853599 O\n0.577087 0.562131 0.353599 O\n0.077087 0.437869 0.146401 O\n0.490306 0.034452 0.055341 O\n0.990306 0.965548 0.444659 O\n0.509694 0.965548 0.944659 O\n0.009694 0.034452 0.555341 O\n",
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},
{
"id": "mp-638424",
"created_at": "2022-09-04T14:48:21.752305Z",
"structure_string": "Sb8 S8 O36\n1.0\n6.683271 0.000000 0.000000\n0.000000 6.683271 0.000000\n0.000000 0.000000 17.385676\nSb S O\n8 8 36\ndirect\n0.848255 0.978498 0.343026 Sb\n0.978498 0.848255 0.656974 Sb\n0.151745 0.021502 0.843026 Sb\n0.021502 0.151745 0.156974 Sb\n0.521502 0.348255 0.593026 Sb\n0.651745 0.478498 0.906974 Sb\n0.478498 0.651745 0.093026 Sb\n0.348255 0.521502 0.406974 Sb\n0.354778 0.036608 0.304174 S\n0.036608 0.354778 0.695826 S\n0.463392 0.854778 0.554174 S\n0.145222 0.536608 0.945826 S\n0.536608 0.145222 0.054174 S\n0.963392 0.645222 0.195826 S\n0.854778 0.463392 0.445826 S\n0.645222 0.963392 0.804174 S\n0.297996 0.953134 0.596714 O\n0.708136 0.891378 0.725709 O\n0.325635 0.461539 0.902175 O\n0.501722 0.130441 0.795813 O\n0.369559 0.001722 0.045813 O\n0.359584 0.359584 0.500000 O\n0.108622 0.291864 0.774291 O\n0.453134 0.202004 0.346714 O\n0.046866 0.702004 0.903286 O\n0.859584 0.140416 0.250000 O\n0.953134 0.297996 0.403286 O\n0.825635 0.038461 0.847825 O\n0.174365 0.961539 0.347825 O\n0.038461 0.825635 0.152175 O\n0.498278 0.869559 0.295813 O\n0.630441 0.998278 0.545813 O\n0.797996 0.546866 0.153286 O\n0.702004 0.046866 0.096714 O\n0.791864 0.391378 0.524291 O\n0.202004 0.453134 0.653286 O\n0.130441 0.501722 0.204187 O\n0.001722 0.369559 0.954187 O\n0.640416 0.640416 0.000000 O\n0.461539 0.325635 0.097825 O\n0.891378 0.708136 0.274291 O\n0.538461 0.674365 0.597825 O\n0.869559 0.498278 0.704187 O\n0.391378 0.791864 0.475709 O\n0.291864 0.108622 0.225709 O\n0.208136 0.608622 0.024291 O\n0.998278 0.630441 0.454187 O\n0.674365 0.538461 0.402175 O\n0.961539 0.174365 0.652175 O\n0.546866 0.797996 0.846714 O\n0.140416 0.859584 0.750000 O\n0.608622 0.208136 0.975709 O\n",
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"formula_full": "Sb8 S8 O36",
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},
{
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