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{
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{
"id": "mp-1105639",
"created_at": "2022-09-04T14:45:37.093699Z",
"structure_string": "U4 Fe6 Si10\n1.0\n0.033681 0.000000 -5.474222\n-4.764280 -5.694017 2.670169\n-4.764280 5.694017 2.670169\nU Fe Si\n4 6 10\ndirect\n0.225349 0.869197 0.590878 U\n0.274651 0.409122 0.130803 U\n0.774651 0.130803 0.409122 U\n0.725349 0.590878 0.869197 U\n0.358322 0.251746 0.539652 Fe\n0.141678 0.460348 0.748254 Fe\n0.641678 0.748254 0.460348 Fe\n0.858322 0.539652 0.251746 Fe\n0.250000 0.000005 0.999995 Fe\n0.750000 0.999995 0.000005 Fe\n0.167982 0.066904 0.259252 Si\n0.332018 0.740748 0.933096 Si\n0.832018 0.933096 0.740748 Si\n0.667982 0.259252 0.066904 Si\n0.250000 0.207204 0.792796 Si\n0.750000 0.792796 0.207204 Si\n0.250000 0.513379 0.486621 Si\n0.750000 0.486621 0.513379 Si\n0.250000 0.776166 0.223834 Si\n0.750000 0.223834 0.776166 Si\n",
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{
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"created_at": "2022-09-04T14:40:23.873555Z",
"structure_string": "Zr6 U4 Ge8\n1.0\n7.432117 0.000000 0.000000\n0.000000 7.232680 0.000000\n0.000000 2.472398 6.989299\nZr U Ge\n6 4 8\ndirect\n0.670891 0.749535 0.252028 Zr\n0.329109 0.250465 0.747972 Zr\n0.170891 0.750465 0.747972 Zr\n0.829109 0.249535 0.252028 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.669090 0.938224 0.683051 U\n0.330910 0.061776 0.316949 U\n0.169090 0.561776 0.316949 U\n0.830910 0.438224 0.683051 U\n0.962784 0.855835 0.415299 Ge\n0.037216 0.144165 0.584701 Ge\n0.462784 0.644165 0.584701 Ge\n0.537216 0.355835 0.415299 Ge\n0.866108 0.636307 0.989503 Ge\n0.133892 0.363693 0.010497 Ge\n0.366108 0.863693 0.010497 Ge\n0.633892 0.136307 0.989503 Ge\n",
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"density": 9.195768578061571,
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"formula_full": "Zr6 U4 Ge8",
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"formula_anonymous": "A2B3C4",
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"updated_at": "2021-11-28T01:34:55.177000Z",
"spacegroup": 14
},
{
"id": "mp-777308",
"created_at": "2022-09-04T14:41:06.434034Z",
"structure_string": "Mn8 O14 F2\n1.0\n10.988422 0.000000 0.000000\n0.000000 4.476661 0.000000\n0.000000 0.000566 4.978806\nMn O F\n8 14 2\ndirect\n0.426742 0.992738 0.513758 Mn\n0.082057 0.013413 0.003637 Mn\n0.582057 0.986587 0.996363 Mn\n0.926742 0.007262 0.486242 Mn\n0.818704 0.480341 0.005240 Mn\n0.177126 0.503111 0.498606 Mn\n0.318704 0.519659 0.994760 Mn\n0.677126 0.496889 0.501394 Mn\n0.055193 0.234667 0.669568 O\n0.556105 0.231096 0.676680 O\n0.943405 0.228999 0.164914 O\n0.197023 0.279451 0.173498 O\n0.305266 0.273458 0.675215 O\n0.693743 0.260799 0.174359 O\n0.804662 0.258666 0.670001 O\n0.193743 0.739201 0.825641 O\n0.304662 0.741334 0.329999 O\n0.697023 0.720549 0.826502 O\n0.805266 0.726542 0.324785 O\n0.056105 0.768904 0.323320 O\n0.443405 0.771001 0.835086 O\n0.555193 0.765333 0.330432 O\n0.439976 0.245961 0.173418 F\n0.939976 0.754039 0.826582 F\n",
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"elements": [
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"density": 4.756172005204613,
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"formula_full": "Mn8 O14 F2",
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"spacegroup": 4
},
{
"id": "mp-777813",
"created_at": "2022-09-04T14:42:47.902109Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.952995 0.000000 0.000000\n0.000000 6.984174 0.000000\n0.000000 1.436417 6.964820\nMn O F\n8 14 2\ndirect\n0.511578 0.581068 0.077145 Mn\n0.992771 0.928931 0.425559 Mn\n0.504981 0.071807 0.072375 Mn\n0.973780 0.419806 0.437552 Mn\n0.488422 0.581068 0.577145 Mn\n0.007229 0.928931 0.925559 Mn\n0.026220 0.419806 0.937552 Mn\n0.495019 0.071807 0.572375 Mn\n0.177947 0.935594 0.170497 O\n0.683496 0.832035 0.058706 O\n0.344240 0.326618 0.060200 O\n0.822053 0.935594 0.670497 O\n0.316504 0.832035 0.558706 O\n0.836196 0.438436 0.174311 O\n0.814123 0.673307 0.433694 O\n0.163804 0.438436 0.674311 O\n0.655760 0.326618 0.560200 O\n0.185877 0.673307 0.933694 O\n0.667185 0.062740 0.327983 O\n0.163408 0.173774 0.438428 O\n0.332815 0.062740 0.827983 O\n0.836592 0.173774 0.938428 O\n0.293071 0.555885 0.323551 F\n0.706929 0.555885 0.823551 F\n",
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"density": 4.834810508975198,
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"volume": 240.93108538216822,
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"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy": -191.62360709,
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"spacegroup": 7
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{
"id": "mp-26163",
"created_at": "2022-09-04T14:46:57.148448Z",
"structure_string": "Li6 Cr9 P8 O32\n1.0\n9.205354 0.000000 0.000000\n-3.353827 8.407956 0.000000\n-1.478852 -2.848380 8.353739\nLi Cr P O\n6 9 8 32\ndirect\n0.004396 0.897479 0.644110 Li\n0.995604 0.102521 0.355890 Li\n0.732191 0.249459 0.959894 Li\n0.650207 0.685436 0.694195 Li\n0.349793 0.314564 0.305805 Li\n0.267809 0.750541 0.040106 Li\n0.935124 0.724786 0.210201 Cr\n0.570033 0.125077 0.285679 Cr\n0.563422 0.308059 0.658254 Cr\n0.500000 0.500000 0.000000 Cr\n0.436578 0.691941 0.341746 Cr\n0.000000 0.000000 0.000000 Cr\n0.429967 0.874923 0.714321 Cr\n0.064876 0.275214 0.789799 Cr\n0.000000 0.500000 0.500000 Cr\n0.279478 0.953832 0.407977 P\n0.088781 0.372202 0.161310 P\n0.281005 0.442547 0.654488 P\n0.348673 0.115054 0.961382 P\n0.651327 0.884946 0.038618 P\n0.718995 0.557453 0.345512 P\n0.911219 0.627798 0.838690 P\n0.720522 0.046168 0.592023 P\n0.909079 0.786963 0.796909 O\n0.683454 0.173316 0.711493 O\n0.880564 0.044959 0.676253 O\n0.598379 0.831172 0.852509 O\n0.755206 0.424160 0.405032 O\n0.868742 0.732375 0.421733 O\n0.662437 0.064669 0.105198 O\n0.732897 0.083871 0.434348 O\n0.978825 0.534681 0.723463 O\n0.119436 0.955041 0.323747 O\n0.021133 0.688139 0.012891 O\n0.021175 0.465319 0.276537 O\n0.267103 0.916129 0.565652 O\n0.337563 0.935331 0.894802 O\n0.131258 0.267625 0.578267 O\n0.244794 0.575840 0.594968 O\n0.703823 0.524824 0.160207 O\n0.316546 0.826684 0.288507 O\n0.296177 0.475176 0.839793 O\n0.176139 0.108599 0.902604 O\n0.268543 0.482285 0.170807 O\n0.090921 0.213037 0.203091 O\n0.575618 0.867039 0.556448 O\n0.439588 0.445327 0.618265 O\n0.470728 0.250318 0.906554 O\n0.529272 0.749682 0.093446 O\n0.560412 0.554673 0.381735 O\n0.424382 0.132961 0.443552 O\n0.401621 0.168828 0.147491 O\n0.731457 0.517715 0.829193 O\n0.823861 0.891401 0.097396 O\n0.978867 0.311861 0.987109 O\n",
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],
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"formula_full": "Li6 Cr9 P8 O32",
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{
"id": "mp-1375060",
"created_at": "2022-09-04T14:39:59.840223Z",
"structure_string": "Ca1 La2 Mn2 Fe2 O12\n1.0\n5.452229 0.000000 0.000000\n0.026054 5.480216 0.000000\n0.007942 0.024969 7.716009\nCa La Mn Fe O\n1 2 2 2 12\ndirect\n0.025724 0.000312 0.250036 Ca\n0.983460 0.993905 0.749103 La\n0.522705 0.494895 0.250682 La\n0.499068 0.999008 0.503621 Mn\n0.004818 0.496181 0.996093 Mn\n0.499147 0.001204 0.994645 Fe\n0.007647 0.496229 0.504998 Fe\n0.987397 0.560118 0.247860 O\n0.781929 0.224651 0.034479 O\n0.776537 0.218733 0.465892 O\n0.739801 0.732126 0.974843 O\n0.731477 0.735831 0.525979 O\n0.499610 0.054499 0.746676 O\n0.501504 0.941433 0.251869 O\n0.268133 0.260558 0.457121 O\n0.265044 0.268243 0.044245 O\n0.218241 0.786085 0.514687 O\n0.212154 0.783113 0.984325 O\n0.009956 0.442475 0.752663 O\n",
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"formula_full": "Ca1 La2 Mn2 Fe2 O12",
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{
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"structure_string": "La4 Ni2 O8\n1.0\n1.982665 -6.794103 0.000000\n1.982665 6.794103 0.000000\n0.000000 0.000000 7.343202\nLa Ni O\n4 2 8\ndirect\n0.283623 0.716377 0.144432 La\n0.716377 0.283623 0.644432 La\n0.053063 0.946937 0.347749 La\n0.946937 0.053063 0.847749 La\n0.609540 0.390460 0.037208 Ni\n0.390460 0.609540 0.537208 Ni\n0.543201 0.456799 0.635690 O\n0.766195 0.233805 0.983308 O\n0.353486 0.646514 0.792531 O\n0.233805 0.766195 0.483308 O\n0.646514 0.353486 0.292531 O\n0.897594 0.102406 0.496382 O\n0.456799 0.543201 0.135690 O\n0.102406 0.897594 0.996382 O\n",
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{
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{
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"structure_string": "Li5 Mg11 W12 O48\n1.0\n10.592189 0.000000 0.000000\n0.000000 5.246105 0.000000\n0.000000 0.024659 18.059987\nLi Mg W O\n5 11 12 48\ndirect\n0.000000 0.243836 0.297708 Li\n0.500000 0.253675 0.801444 Li\n0.000000 0.748234 0.197685 Li\n0.500000 0.755990 0.702815 Li\n0.000000 0.902089 0.754112 Li\n0.500000 0.095840 0.248185 Mg\n0.325377 0.259897 0.972095 Mg\n0.674623 0.259897 0.972095 Mg\n0.820219 0.247898 0.472690 Mg\n0.179781 0.247898 0.472690 Mg\n0.000000 0.397253 0.753748 Mg\n0.500000 0.595896 0.248621 Mg\n0.332065 0.753553 0.527816 Mg\n0.667935 0.753553 0.527816 Mg\n0.828305 0.739933 0.025084 Mg\n0.171695 0.739933 0.025084 Mg\n0.000000 0.203100 0.941287 W\n0.277031 0.224766 0.655497 W\n0.722969 0.224766 0.655497 W\n0.775526 0.278886 0.154276 W\n0.224474 0.278886 0.154276 W\n0.500000 0.291391 0.439843 W\n0.000000 0.712158 0.557787 W\n0.725295 0.723081 0.844364 W\n0.274705 0.723081 0.844364 W\n0.775790 0.782571 0.345613 W\n0.224210 0.782571 0.345613 W\n0.500000 0.793897 0.059240 W\n0.864576 0.062115 0.375118 O\n0.135424 0.062115 0.375118 O\n0.500000 0.062690 0.989023 O\n0.872419 0.085134 0.213575 O\n0.127581 0.085134 0.213575 O\n0.260735 0.077443 0.074156 O\n0.739265 0.077443 0.074156 O\n0.357915 0.079846 0.463475 O\n0.642085 0.079846 0.463475 O\n0.869286 0.155664 0.703120 O\n0.130714 0.155664 0.703120 O\n0.000000 0.159790 0.839753 O\n0.500000 0.340142 0.337334 O\n0.370098 0.348663 0.205856 O\n0.629902 0.348663 0.205856 O\n0.142113 0.415930 0.964654 O\n0.857887 0.415930 0.964654 O\n0.760655 0.422864 0.572623 O\n0.239345 0.422864 0.572623 O\n0.375039 0.420379 0.712490 O\n0.624961 0.420379 0.712490 O\n0.000000 0.431308 0.495164 O\n0.364349 0.443592 0.873270 O\n0.635651 0.443592 0.873270 O\n0.864297 0.559981 0.127393 O\n0.135703 0.559981 0.127393 O\n0.500000 0.560001 0.510246 O\n0.873638 0.586482 0.288805 O\n0.126362 0.586482 0.288805 O\n0.259587 0.580876 0.427051 O\n0.740413 0.580876 0.427051 O\n0.357518 0.583316 0.037765 O\n0.642482 0.583316 0.037765 O\n0.867999 0.644164 0.793593 O\n0.132001 0.644164 0.793593 O\n0.000000 0.634589 0.654459 O\n0.500000 0.842008 0.163017 O\n0.370801 0.848755 0.295491 O\n0.629199 0.848755 0.295491 O\n0.864310 0.913852 0.535722 O\n0.135690 0.913852 0.535722 O\n0.761881 0.923053 0.925965 O\n0.238119 0.923053 0.925965 O\n0.371978 0.919125 0.785710 O\n0.628022 0.919125 0.785710 O\n0.000000 0.932406 0.012284 O\n0.361622 0.940038 0.624859 O\n0.638378 0.940038 0.624859 O\n",
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"formula_full": "Li5 Mg11 W12 O48",
"formula_reduced": "Li5Mg11(WO4)12",
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"updated_at": "2021-11-28T01:35:22.098000Z",
"spacegroup": 6
},
{
"id": "mp-779466",
"created_at": "2022-09-04T14:48:23.539526Z",
"structure_string": "Mn4 O7 F1\n1.0\n4.483110 0.058585 0.003152\n0.065037 5.520115 0.001839\n0.003212 0.001556 4.975112\nMn O F\n4 7 1\ndirect\n0.009776 0.854850 0.735742 Mn\n0.008360 0.162737 0.253487 Mn\n0.503153 0.354967 0.755531 Mn\n0.490253 0.636619 0.257466 Mn\n0.232292 0.112167 0.920095 O\n0.231991 0.885881 0.416917 O\n0.273646 0.390741 0.428833 O\n0.262781 0.611151 0.922371 O\n0.731229 0.388506 0.082041 O\n0.731321 0.611397 0.579664 O\n0.767189 0.112314 0.574951 O\n0.758010 0.878673 0.072902 F\n",
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"formula_full": "Mn4 O7 F1",
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{
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"structure_string": "Mn8 O14 F2\n1.0\n4.485974 0.068722 -4.983554\n0.061292 5.497590 -0.014831\n4.450274 0.041330 4.949401\nMn O F\n8 14 2\ndirect\n0.373597 0.353240 0.137388 Mn\n0.122710 0.651993 0.378033 Mn\n0.880220 0.168099 0.136533 Mn\n0.369897 0.129412 0.610666 Mn\n0.138041 0.857933 0.875711 Mn\n0.629207 0.851666 0.372008 Mn\n0.624201 0.648973 0.873896 Mn\n0.874122 0.355720 0.628344 Mn\n0.157192 0.117880 0.080385 O\n0.171583 0.613025 0.094068 O\n0.329069 0.387840 0.409808 O\n0.571169 0.610301 0.154790 O\n0.078196 0.613477 0.658962 O\n0.345478 0.884591 0.417084 O\n0.094207 0.108153 0.669054 O\n0.595747 0.114640 0.170006 O\n0.405617 0.887088 0.824614 O\n0.653527 0.105889 0.576254 O\n0.905412 0.887616 0.323419 O\n0.925152 0.395460 0.349804 O\n0.670483 0.609996 0.591281 O\n0.822522 0.386198 0.907989 O\n0.407804 0.366098 0.839049 F\n0.854848 0.894715 0.920854 F\n",
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{
"id": "mp-1207418",
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"structure_string": "Zr4 Fe4 As4\n1.0\n3.930799 0.000000 0.000000\n0.000000 6.490784 0.000000\n0.000000 0.000000 7.267745\nZr Fe As\n4 4 4\ndirect\n0.250000 0.486748 0.188695 Zr\n0.750000 0.513252 0.811305 Zr\n0.750000 0.013252 0.688695 Zr\n0.250000 0.986748 0.311305 Zr\n0.250000 0.853343 0.937669 Fe\n0.750000 0.146657 0.062331 Fe\n0.750000 0.646657 0.437669 Fe\n0.250000 0.353343 0.562331 Fe\n0.250000 0.721536 0.613947 As\n0.750000 0.278464 0.386053 As\n0.750000 0.778464 0.113947 As\n0.250000 0.221536 0.886053 As\n",
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]
}