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{
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{
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"structure_string": "Li4 V4 O8 F8\n1.0\n5.424954 0.000000 0.000000\n0.000000 6.874301 0.000000\n0.000000 0.000000 8.940073\nLi V O F\n4 4 8 8\ndirect\n0.518233 0.371016 0.223886 Li\n0.518233 0.871016 0.276114 Li\n0.481767 0.371016 0.723886 Li\n0.481767 0.871016 0.776114 Li\n0.047562 0.993634 0.056347 V\n0.952438 0.493634 0.943653 V\n0.047562 0.493634 0.443653 V\n0.952438 0.993634 0.556347 V\n0.030388 0.735910 0.976734 O\n0.198211 0.986946 0.217332 O\n0.198211 0.486946 0.282668 O\n0.030388 0.235910 0.523266 O\n0.969612 0.735910 0.476734 O\n0.801789 0.986946 0.717332 O\n0.801789 0.486946 0.782668 O\n0.969612 0.235910 0.023266 O\n0.683414 0.511985 0.076837 F\n0.722392 0.937109 0.115235 F\n0.683414 0.011985 0.423163 F\n0.722392 0.437109 0.384765 F\n0.316586 0.511985 0.576837 F\n0.277608 0.937109 0.615235 F\n0.277608 0.437109 0.884765 F\n0.316586 0.011985 0.923163 F\n",
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{
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"structure_string": "Al4 Fe2 O8\n1.0\n5.047059 -0.045969 2.951607\n-5.017983 0.005168 2.901292\n-1.638499 -4.773854 2.951331\nAl Fe O\n4 2 8\ndirect\n0.500013 0.000012 0.500004 Al\n0.000015 0.500029 0.499987 Al\n0.000004 0.500017 0.000020 Al\n0.000001 0.999990 0.500018 Al\n0.374964 0.249709 0.875052 Fe\n0.624955 0.750192 0.124852 Fe\n0.203071 0.469438 0.262224 O\n0.231686 0.969494 0.733611 O\n0.237837 0.969497 0.296904 O\n0.233608 0.530522 0.731689 O\n0.762208 0.030568 0.703083 O\n0.766365 0.469491 0.268340 O\n0.796928 0.530517 0.737827 O\n0.768345 0.030523 0.266388 O\n",
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{
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"structure_string": "Ba1 Sr1 Tb1 Bi1 O6\n1.0\n-0.000000 -4.338627 -4.338627\n4.338627 -0.000000 -4.338627\n4.338627 -4.338627 0.000000\nBa Sr Tb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.000000 0.000000 Bi\n0.756161 0.243839 0.243839 O\n0.243839 0.756161 0.756161 O\n0.756161 0.243839 0.756161 O\n0.243839 0.756161 0.243839 O\n0.756161 0.756161 0.243839 O\n0.243839 0.243839 0.756161 O\n",
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{
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{
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{
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{
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{
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"formula_full": "Cs2 K4 Fe2 O5",
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"updated_at": "2021-11-28T01:36:32.951000Z",
"spacegroup": 12
},
{
"id": "mp-1069079",
"created_at": "2022-09-04T14:43:49.487567Z",
"structure_string": "Fe2 Bi2 O6\n1.0\n0.000000 -0.000001 4.879828\n3.751414 3.751413 -0.000001\n-3.751417 3.751416 -0.000001\nFe Bi O\n2 2 6\ndirect\n0.476167 0.000000 0.500001 Fe\n0.476163 0.500000 0.000000 Fe\n0.048707 0.000000 0.000000 Bi\n0.048707 0.500000 0.499999 Bi\n0.856306 0.500000 0.000000 O\n0.856303 0.000000 0.500000 O\n0.330413 0.249999 0.250001 O\n0.330412 0.750001 0.749999 O\n0.330412 0.249999 0.749998 O\n0.330412 0.750002 0.250001 O\n",
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],
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"density": 7.564040948115276,
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"formula_full": "Fe2 Bi2 O6",
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"spacegroup": 99
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{
"id": "mp-774823",
"created_at": "2022-09-04T14:43:37.753343Z",
"structure_string": "Ti4 Mn4 P8 O32\n1.0\n0.030866 -0.000021 5.017476\n10.105883 6.047255 0.067929\n-10.106161 6.047719 -0.067974\nTi Mn P O\n4 4 8 32\ndirect\n0.469577 0.485399 0.264564 Ti\n0.469580 0.985404 0.764574 Ti\n0.530420 0.514600 0.735433 Ti\n0.530423 0.014594 0.235426 Ti\n0.968611 0.761072 0.488934 Mn\n0.031325 0.238932 0.511065 Mn\n0.968735 0.261101 0.988957 Mn\n0.031347 0.738911 0.011068 Mn\n0.446624 0.172499 0.077416 P\n0.446574 0.672500 0.577425 P\n0.553412 0.827500 0.922579 P\n0.553401 0.327498 0.422576 P\n0.889070 0.571677 0.178362 P\n0.889073 0.071682 0.678378 P\n0.110927 0.428325 0.821630 P\n0.110914 0.928317 0.321629 P\n0.642208 0.401524 0.348519 O\n0.642223 0.901527 0.848526 O\n0.357775 0.598473 0.651481 O\n0.357823 0.098474 0.151472 O\n0.745807 0.176037 0.073852 O\n0.745764 0.676027 0.573871 O\n0.254226 0.823977 0.926132 O\n0.254214 0.323969 0.426131 O\n0.185625 0.548709 0.201242 O\n0.185630 0.048719 0.701260 O\n0.814366 0.451286 0.798754 O\n0.814352 0.951277 0.298747 O\n0.135906 0.354331 0.895555 O\n0.135869 0.854314 0.395549 O\n0.864116 0.645674 0.104437 O\n0.864123 0.145684 0.604455 O\n0.310868 0.106928 0.939702 O\n0.310844 0.606925 0.439700 O\n0.310909 0.310234 0.142994 O\n0.310878 0.810234 0.643000 O\n0.689106 0.689762 0.857006 O\n0.689102 0.189763 0.357004 O\n0.689147 0.893068 0.060303 O\n0.689137 0.393070 0.560297 O\n0.735316 0.633369 0.310714 O\n0.735320 0.133378 0.810729 O\n0.735342 0.439301 0.116649 O\n0.735346 0.939304 0.616663 O\n0.264675 0.366631 0.689277 O\n0.264674 0.866623 0.189277 O\n0.264661 0.560702 0.883345 O\n0.264632 0.060695 0.383339 O\n",
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"density": 3.1706635864589217,
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"volume": 613.271126158676,
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"formula_full": "Ti4 Mn4 P8 O32",
"formula_reduced": "TiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -406.28138245,
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"updated_at": "2021-11-28T01:36:19.052000Z",
"spacegroup": 11
},
{
"id": "mp-1179371",
"created_at": "2022-09-04T14:45:05.108244Z",
"structure_string": "Sr1 H16 O10\n1.0\n4.563258 4.437778 0.000000\n-4.563258 4.437778 0.000000\n0.000000 0.143979 6.792341\nSr H O\n1 16 10\ndirect\n0.990011 0.009989 0.000000 Sr\n0.669119 0.664548 0.199587 H\n0.727200 0.850705 0.348733 H\n0.335324 0.325458 0.194313 H\n0.286468 0.094815 0.292177 H\n0.102348 0.713726 0.292475 H\n0.324251 0.671461 0.184238 H\n0.676408 0.340643 0.196214 H\n0.893545 0.301707 0.305973 H\n0.335452 0.330881 0.800413 H\n0.149295 0.272800 0.651267 H\n0.674542 0.664676 0.805687 H\n0.905185 0.713532 0.707823 H\n0.659357 0.323592 0.803786 H\n0.698293 0.106455 0.694027 H\n0.328539 0.675749 0.815762 H\n0.286274 0.897652 0.707525 H\n0.495923 0.503802 0.109932 O\n0.496198 0.504077 0.890068 O\n0.789033 0.755622 0.253812 O\n0.220243 0.224421 0.248599 O\n0.227913 0.784344 0.235293 O\n0.774979 0.229738 0.244261 O\n0.244378 0.210967 0.746188 O\n0.775579 0.779757 0.751401 O\n0.770262 0.225021 0.755739 O\n0.215656 0.772087 0.764707 O\n",
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"volume": 275.09967244558004,
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"formula_full": "Sr1 H16 O10",
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"formula_anonymous": "AB10C16",
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]
}