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{
"id": "mp-974482",
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{
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"structure_string": "Na4 Ge5 O12\n1.0\n2.632879 -4.560279 0.000000\n2.632879 4.560279 0.000000\n0.000000 0.000000 9.416942\nNa Ge O\n4 5 12\ndirect\n0.000000 0.000000 0.310519 Na\n0.333333 0.666667 0.096372 Na\n0.666667 0.333333 0.903628 Na\n0.000000 0.000000 0.689481 Na\n0.666667 0.333333 0.211875 Ge\n0.666667 0.333333 0.523426 Ge\n0.333333 0.666667 0.476574 Ge\n0.000000 0.000000 0.000000 Ge\n0.333333 0.666667 0.788125 Ge\n0.918786 0.672381 0.124022 O\n0.327619 0.246406 0.124022 O\n0.753594 0.081214 0.124022 O\n0.603074 0.578724 0.385358 O\n0.421276 0.024350 0.385358 O\n0.975650 0.396926 0.385358 O\n0.672381 0.753594 0.875978 O\n0.246406 0.918786 0.875978 O\n0.081214 0.327619 0.875978 O\n0.396926 0.421276 0.614642 O\n0.578724 0.975650 0.614642 O\n0.024350 0.603074 0.614642 O\n",
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{
"id": "mp-1222248",
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"structure_string": "Mn10 Cr8 O24\n1.0\n6.073499 0.000000 0.000000\n-0.065108 6.088365 0.000000\n-2.986518 -2.997403 13.017457\nMn Cr O\n10 8 24\ndirect\n0.789880 0.544504 0.083791 Mn\n0.461744 0.208801 0.416866 Mn\n0.122321 0.875010 0.748963 Mn\n0.538256 0.791199 0.583134 Mn\n0.210120 0.455496 0.916209 Mn\n0.877679 0.124990 0.251037 Mn\n0.665496 0.667469 0.831114 Mn\n0.334504 0.332531 0.168886 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.664964 0.664416 0.334551 Cr\n0.335036 0.335584 0.665449 Cr\n0.500000 0.000000 0.000000 Cr\n0.164221 0.669009 0.333307 Cr\n0.835779 0.330991 0.666693 Cr\n0.664636 0.166409 0.832033 Cr\n0.335364 0.833591 0.167967 Cr\n0.000000 0.500000 0.500000 Cr\n0.585235 0.115239 0.675705 O\n0.257350 0.776274 0.011263 O\n0.920145 0.448272 0.343319 O\n0.894604 0.398618 0.821213 O\n0.562404 0.066568 0.154970 O\n0.211763 0.754088 0.491324 O\n0.445730 0.420007 0.824706 O\n0.121685 0.087862 0.165940 O\n0.759109 0.727506 0.488436 O\n0.591632 0.557050 0.673103 O\n0.247325 0.218148 0.006301 O\n0.918132 0.892423 0.342017 O\n0.742650 0.223726 0.988737 O\n0.414765 0.884761 0.324295 O\n0.079855 0.551728 0.656681 O\n0.437596 0.933432 0.845030 O\n0.105396 0.601382 0.178787 O\n0.788237 0.245912 0.508676 O\n0.878315 0.912138 0.834060 O\n0.554270 0.579993 0.175294 O\n0.240891 0.272494 0.511564 O\n0.752675 0.781852 0.993699 O\n0.408368 0.442950 0.326897 O\n0.081868 0.107577 0.657983 O\n",
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"formula_full": "Mn10 Cr8 O24",
"formula_reduced": "Mn5Cr4O12",
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{
"id": "mp-555678",
"created_at": "2022-09-04T14:42:10.880762Z",
"structure_string": "Na4 Ti5 O12\n1.0\n2.686036 -4.652351 0.000000\n2.686036 4.652351 0.000000\n0.000000 0.000000 9.653030\nNa Ti O\n4 5 12\ndirect\n0.666667 0.333333 0.900298 Na\n0.333333 0.666667 0.099702 Na\n0.000000 0.000000 0.311691 Na\n0.000000 0.000000 0.688309 Na\n0.333333 0.666667 0.472982 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.783410 Ti\n0.666667 0.333333 0.527018 Ti\n0.666667 0.333333 0.216590 Ti\n0.429545 0.015801 0.379689 O\n0.586256 0.570455 0.379689 O\n0.984199 0.413744 0.379689 O\n0.767657 0.100304 0.122237 O\n0.899696 0.667353 0.122237 O\n0.015801 0.586256 0.620311 O\n0.667353 0.767657 0.877763 O\n0.100304 0.332647 0.877763 O\n0.570455 0.984199 0.620311 O\n0.332647 0.232343 0.122237 O\n0.413744 0.429545 0.620311 O\n0.232343 0.899696 0.877763 O\n",
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"elements": [
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"density_atomic": 0.08704450123894096,
"volume": 241.25590589983486,
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"formula_full": "Na4 Ti5 O12",
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"energy": -169.47304839999998,
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{
"id": "mp-766597",
"created_at": "2022-09-04T14:43:41.065262Z",
"structure_string": "Li8 Ti10 S24\n1.0\n6.493273 0.000000 0.000000\n2.348552 11.421658 0.000000\n2.793784 3.040797 11.284306\nLi Ti S\n8 10 24\ndirect\n0.146593 0.407151 0.404216 Li\n0.355995 0.580659 0.110714 Li\n0.274450 0.912114 0.021726 Li\n0.309615 0.766913 0.556316 Li\n0.690385 0.233087 0.443684 Li\n0.725550 0.087886 0.978274 Li\n0.644005 0.419341 0.889286 Li\n0.853407 0.592849 0.595784 Li\n0.261261 0.091579 0.276288 Ti\n0.191781 0.092269 0.677660 Ti\n0.189337 0.275418 0.922571 Ti\n0.124264 0.592369 0.860183 Ti\n0.420595 0.425976 0.646799 Ti\n0.579405 0.574024 0.353201 Ti\n0.875736 0.407631 0.139817 Ti\n0.810663 0.724582 0.077429 Ti\n0.808219 0.907731 0.322340 Ti\n0.738739 0.908421 0.723712 Ti\n0.050085 0.265457 0.302438 S\n0.245029 0.420185 0.017172 S\n0.341470 0.102203 0.082689 S\n0.102522 0.103378 0.866934 S\n0.046382 0.429703 0.772276 S\n0.110533 0.918354 0.384404 S\n0.320084 0.263642 0.569307 S\n0.252784 0.570702 0.484014 S\n0.568839 0.080369 0.342969 S\n0.171649 0.731158 0.946970 S\n0.540493 0.417648 0.270497 S\n0.465577 0.731263 0.192596 S\n0.534423 0.268737 0.807404 S\n0.459507 0.582352 0.729503 S\n0.828351 0.268842 0.053030 S\n0.431161 0.919631 0.657031 S\n0.747216 0.429298 0.515986 S\n0.679916 0.736358 0.430693 S\n0.889467 0.081646 0.615596 S\n0.953618 0.570297 0.227724 S\n0.897478 0.896622 0.133066 S\n0.658530 0.897797 0.917311 S\n0.754971 0.579815 0.982828 S\n0.949915 0.734543 0.697562 S\n",
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"volume": 836.8886326955713,
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"formula_full": "Li8 Ti10 S24",
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{
"id": "mp-759800",
"created_at": "2022-09-04T14:46:57.175331Z",
"structure_string": "Na8 Mn10 O24\n1.0\n4.298112 4.332781 0.000000\n-4.298112 4.332781 0.000000\n0.000000 3.604508 13.149314\nNa Mn O\n8 10 24\ndirect\n0.469477 0.195073 0.577366 Na\n0.888192 0.111808 0.750000 Na\n0.804927 0.530523 0.922634 Na\n0.000000 0.000000 0.000000 Na\n0.195073 0.469477 0.077366 Na\n0.111808 0.888192 0.250000 Na\n0.530523 0.804927 0.422634 Na\n0.000000 0.000000 0.500000 Na\n0.675210 0.643665 0.668062 Mn\n0.170323 0.643951 0.668947 Mn\n0.356335 0.324790 0.831938 Mn\n0.356049 0.829677 0.831053 Mn\n0.500000 0.000000 0.000000 Mn\n0.643665 0.675210 0.168062 Mn\n0.643951 0.170323 0.168947 Mn\n0.324790 0.356335 0.331938 Mn\n0.829677 0.356049 0.331053 Mn\n0.000000 0.500000 0.500000 Mn\n0.933016 0.436957 0.651759 O\n0.917965 0.828175 0.678450 O\n0.421461 0.430372 0.681604 O\n0.420203 0.849403 0.677800 O\n0.569628 0.578539 0.818396 O\n0.150597 0.579797 0.822200 O\n0.563043 0.066984 0.848241 O\n0.171825 0.082035 0.821550 O\n0.298039 0.239665 0.974142 O\n0.299210 0.786746 0.972511 O\n0.700790 0.213254 0.027489 O\n0.701961 0.760335 0.025858 O\n0.828175 0.917965 0.178450 O\n0.436957 0.933016 0.151759 O\n0.849403 0.420203 0.177800 O\n0.430372 0.421461 0.181604 O\n0.578539 0.569628 0.318396 O\n0.579797 0.150597 0.322200 O\n0.066984 0.563043 0.348241 O\n0.082035 0.171825 0.321550 O\n0.239665 0.298039 0.474142 O\n0.786746 0.299210 0.472511 O\n0.760335 0.701961 0.525858 O\n0.213254 0.700790 0.527489 O\n",
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{
"id": "mp-759802",
"created_at": "2022-09-04T14:47:54.945523Z",
"structure_string": "Li8 Co10 O24\n1.0\n8.426347 0.000000 0.000000\n0.000000 4.912856 0.000000\n0.000000 1.638873 9.831417\nLi Co O\n8 10 24\ndirect\n0.246830 0.259446 0.999158 Li\n0.395052 0.011864 0.234751 Li\n0.746369 0.995296 0.233727 Li\n0.246369 0.004704 0.766273 Li\n0.895052 0.988136 0.765249 Li\n0.746830 0.740554 0.000842 Li\n0.921510 0.506965 0.235734 Li\n0.421510 0.493035 0.764266 Li\n0.415752 0.248433 0.496931 Co\n0.082046 0.251559 0.498323 Co\n0.747133 0.251487 0.500621 Co\n0.923536 0.244540 0.997171 Co\n0.584583 0.253698 0.999157 Co\n0.915752 0.751567 0.503069 Co\n0.582046 0.748441 0.501677 Co\n0.247133 0.748513 0.499379 Co\n0.423536 0.755460 0.002829 Co\n0.084583 0.746302 0.000843 Co\n0.909826 0.119660 0.400251 O\n0.251098 0.109582 0.399757 O\n0.581813 0.109516 0.399592 O\n0.759536 0.149848 0.898699 O\n0.081813 0.890484 0.600408 O\n0.751098 0.890418 0.600243 O\n0.409826 0.880340 0.599749 O\n0.071140 0.097997 0.889480 O\n0.436178 0.109155 0.893015 O\n0.936178 0.890845 0.106985 O\n0.571140 0.902003 0.110520 O\n0.259536 0.850152 0.101301 O\n0.414004 0.616147 0.401952 O\n0.754440 0.621583 0.399651 O\n0.079816 0.617698 0.403304 O\n0.257601 0.647449 0.893570 O\n0.579816 0.382302 0.596696 O\n0.254440 0.378417 0.600349 O\n0.914004 0.383853 0.598048 O\n0.566874 0.612191 0.897297 O\n0.938430 0.612033 0.898134 O\n0.438430 0.387967 0.101866 O\n0.066874 0.387809 0.102703 O\n0.757601 0.352551 0.106430 O\n",
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{
"id": "mp-29303",
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"structure_string": "Tl8 Sn10 S24\n1.0\n7.503959 0.006235 -0.021654\n-3.701798 8.798859 -2.527678\n0.013208 -0.049132 17.367803\nTl Sn S\n8 10 24\ndirect\n0.312608 0.761628 0.701983 Tl\n0.687392 0.238372 0.298017 Tl\n0.101407 0.462544 0.854664 Tl\n0.898593 0.537456 0.145336 Tl\n0.417406 0.152875 0.612654 Tl\n0.582594 0.847125 0.387346 Tl\n0.624624 0.517411 0.856832 Tl\n0.375376 0.482589 0.143168 Tl\n0.683147 0.574369 0.582497 Sn\n0.316853 0.425631 0.417503 Sn\n0.017771 0.323590 0.597244 Sn\n0.982229 0.676410 0.402756 Sn\n0.884462 0.031798 0.729986 Sn\n0.115538 0.968202 0.270014 Sn\n0.687589 0.127358 0.947510 Sn\n0.312411 0.872642 0.052490 Sn\n0.184713 0.119321 0.942123 Sn\n0.815287 0.880679 0.057877 Sn\n0.471583 0.676086 0.521906 S\n0.528417 0.323914 0.478094 S\n0.012132 0.707556 0.545553 S\n0.987868 0.292444 0.454447 S\n0.730512 0.762640 0.721501 S\n0.269488 0.237360 0.278499 S\n0.330362 0.443291 0.672821 S\n0.669638 0.556709 0.327179 S\n0.881979 0.051497 0.592704 S\n0.118021 0.948503 0.407296 S\n0.810437 0.439525 0.670682 S\n0.189563 0.560475 0.329318 S\n0.210461 0.152304 0.798137 S\n0.789539 0.847696 0.201863 S\n0.337429 0.914260 0.908014 S\n0.662571 0.085740 0.091986 S\n0.693425 0.163802 0.803253 S\n0.306575 0.836198 0.196747 S\n0.961895 0.679608 0.007984 S\n0.038105 0.320392 0.992016 S\n0.469958 0.678771 0.016852 S\n0.530042 0.321229 0.983148 S\n0.170354 0.082022 0.087592 S\n0.829646 0.917978 0.912408 S\n",
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