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{
"id": "mp-1237178",
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{
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"structure_string": "Li4 Cr1 Fe1 W2 O12\n1.0\n5.104899 0.000000 0.000000\n0.003856 5.407822 0.000000\n0.007090 0.536109 7.487872\nLi Cr Fe W O\n4 1 1 2 12\ndirect\n0.997147 0.437231 0.706062 Li\n0.492593 0.915108 0.214630 Li\n0.000666 0.454643 0.227783 Li\n0.512649 0.925530 0.708819 Li\n0.004970 0.980267 0.981211 Cr\n0.502116 0.496744 0.501746 Fe\n0.989809 0.003451 0.477754 W\n0.504743 0.479793 0.002297 W\n0.706824 0.198113 0.574686 O\n0.875873 0.014812 0.244933 O\n0.697900 0.819593 0.948518 O\n0.810054 0.713832 0.573025 O\n0.192679 0.708406 0.066649 O\n0.614860 0.524497 0.244551 O\n0.377459 0.525593 0.765273 O\n0.812350 0.311542 0.945976 O\n0.177707 0.314923 0.456610 O\n0.303108 0.196879 0.068517 O\n0.118920 0.007672 0.768788 O\n0.307573 0.828971 0.450975 O\n",
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{
"id": "mp-769473",
"created_at": "2022-09-04T14:39:26.101836Z",
"structure_string": "Li13 Ni9 O22\n1.0\n6.378810 0.000000 0.000000\n-2.034608 6.088605 0.000000\n-2.514738 -2.002298 9.476905\nLi Ni O\n13 9 22\ndirect\n0.087126 0.450655 0.635597 Li\n0.820889 0.088073 0.727666 Li\n0.181134 0.908010 0.773141 Li\n0.274385 0.363629 0.908296 Li\n0.540523 0.734443 0.818451 Li\n0.000000 0.000000 0.000000 Li\n0.725615 0.636371 0.091704 Li\n0.459477 0.265557 0.181549 Li\n0.818866 0.091990 0.226859 Li\n0.912874 0.549345 0.364403 Li\n0.179111 0.911927 0.272334 Li\n0.641182 0.181766 0.453562 Li\n0.358818 0.818234 0.546438 Li\n0.453339 0.266533 0.680517 Ni\n0.908213 0.542312 0.862862 Ni\n0.635934 0.180292 0.954581 Ni\n0.091787 0.457688 0.137138 Ni\n0.364066 0.819708 0.045419 Ni\n0.270762 0.362242 0.407785 Ni\n0.546661 0.733467 0.319483 Ni\n0.000000 0.000000 0.500000 Ni\n0.729238 0.637758 0.592215 Ni\n0.754622 0.364491 0.657058 O\n0.417128 0.525641 0.604047 O\n0.145242 0.174581 0.688289 O\n0.936022 0.277856 0.931037 O\n0.508067 0.025869 0.762288 O\n0.851529 0.784403 0.786542 O\n0.605694 0.438694 0.888817 O\n0.394306 0.561306 0.111183 O\n0.219727 0.642043 0.857129 O\n0.780273 0.357957 0.142871 O\n0.342079 0.083215 0.984149 O\n0.148471 0.215597 0.213458 O\n0.657921 0.916785 0.015851 O\n0.245378 0.635509 0.342942 O\n0.063978 0.722144 0.068963 O\n0.854758 0.825419 0.311711 O\n0.582872 0.474359 0.395953 O\n0.974803 0.261320 0.435102 O\n0.491933 0.974131 0.237712 O\n0.295015 0.086190 0.474057 O\n0.025197 0.738680 0.564898 O\n0.704985 0.913810 0.525943 O\n",
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"formula_full": "Li13 Ni9 O22",
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{
"id": "mp-1226338",
"created_at": "2022-09-04T14:39:26.111331Z",
"structure_string": "Cr1 Ni3\n1.0\n8.216914 -1.250627 0.000000\n8.216914 1.250627 0.000000\n8.026567 0.000000 2.157769\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250530 0.250530 0.250530 Ni\n0.500000 0.500000 0.500000 Ni\n0.749470 0.749470 0.749470 Ni\n",
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"formula_full": "Cr1 Ni3",
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"spacegroup": 166
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{
"id": "mp-762268",
"created_at": "2022-09-04T14:39:26.140697Z",
"structure_string": "Li3 V2 O6\n1.0\n4.985715 0.000000 0.000000\n-2.424231 4.477114 0.000000\n-1.040567 -1.609120 4.794947\nLi V O\n3 2 6\ndirect\n0.004186 0.495228 0.997654 Li\n0.652028 0.849417 0.997557 Li\n0.354655 0.152154 0.005610 Li\n0.833106 0.670390 0.489341 V\n0.167487 0.318501 0.510341 V\n0.808597 0.293508 0.259824 O\n0.202338 0.699226 0.733941 O\n0.965163 0.094118 0.726495 O\n0.426789 0.543600 0.272649 O\n0.574949 0.454319 0.730158 O\n0.058454 0.933667 0.273633 O\n",
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"formula_full": "Li3 V2 O6",
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{
"id": "mp-1206256",
"created_at": "2022-09-04T14:39:26.299106Z",
"structure_string": "Th2 Ge3 Ir3\n1.0\n2.945289 0.000000 0.000000\n0.000000 2.945289 0.000000\n0.000000 0.000000 21.060383\nTh Ge Ir\n2 3 3\ndirect\n0.500000 0.500000 0.762332 Th\n0.500000 0.500000 0.237668 Th\n0.500000 0.500000 0.387623 Ge\n0.500000 0.500000 0.612377 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.117651 Ir\n0.500000 0.500000 0.882349 Ir\n0.500000 0.500000 0.500000 Ir\n",
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],
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"volume": 182.69307922210567,
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"formula_full": "Th2 Ge3 Ir3",
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{
"id": "mp-1020115",
"created_at": "2022-09-04T14:39:26.115044Z",
"structure_string": "Mg16 Si16 O48\n1.0\n8.964748 0.000000 0.000000\n0.000000 5.279397 0.000000\n0.000000 1.704058 18.610757\nMg Si O\n16 16 48\ndirect\n0.098154 0.566896 0.812888 Mg\n0.901846 0.066896 0.812888 Mg\n0.740253 0.561959 0.816218 Mg\n0.259747 0.061959 0.816218 Mg\n0.400371 0.186846 0.563584 Mg\n0.599629 0.686846 0.563584 Mg\n0.755447 0.185380 0.564088 Mg\n0.244553 0.685380 0.564088 Mg\n0.099612 0.819462 0.312380 Mg\n0.900388 0.319462 0.312380 Mg\n0.741057 0.817763 0.310845 Mg\n0.258943 0.317763 0.310845 Mg\n0.401581 0.758654 0.060575 Mg\n0.598419 0.258654 0.060575 Mg\n0.238281 0.265010 0.058439 Mg\n0.761719 0.765010 0.058439 Mg\n0.913682 0.354842 0.963165 Si\n0.086318 0.854842 0.963165 Si\n0.413410 0.469816 0.911073 Si\n0.586590 0.969816 0.911073 Si\n0.410710 0.804663 0.711204 Si\n0.589290 0.304663 0.711204 Si\n0.090823 0.278770 0.666865 Si\n0.909177 0.778770 0.666865 Si\n0.588810 0.073096 0.416088 Si\n0.411190 0.573096 0.416088 Si\n0.089698 0.106858 0.460778 Si\n0.910302 0.606858 0.460778 Si\n0.089961 0.528267 0.163858 Si\n0.910039 0.028267 0.163858 Si\n0.409924 0.052390 0.206474 Si\n0.590076 0.552390 0.206474 Si\n0.910553 0.380000 0.875101 O\n0.089447 0.880000 0.875101 O\n0.768952 0.451314 0.003785 O\n0.231048 0.951314 0.003785 O\n0.054007 0.543021 0.988554 O\n0.945993 0.043021 0.988554 O\n0.409915 0.444479 0.999118 O\n0.590085 0.944479 0.999118 O\n0.553566 0.281388 0.885763 O\n0.446434 0.781388 0.885763 O\n0.731453 0.874984 0.870257 O\n0.268547 0.374984 0.870257 O\n0.411390 0.834251 0.623404 O\n0.588610 0.334251 0.623404 O\n0.252612 0.770351 0.750996 O\n0.747388 0.270351 0.750996 O\n0.467578 0.080459 0.740918 O\n0.532422 0.580459 0.740918 O\n0.092096 0.251927 0.754881 O\n0.907904 0.751927 0.754881 O\n0.245874 0.354351 0.626130 O\n0.754126 0.854351 0.626130 O\n0.974263 0.512630 0.638042 O\n0.025737 0.012630 0.638042 O\n0.409126 0.541598 0.503914 O\n0.590874 0.041598 0.503914 O\n0.741422 0.118072 0.371985 O\n0.258578 0.618072 0.371985 O\n0.462775 0.291807 0.388812 O\n0.537225 0.791807 0.388812 O\n0.092957 0.131128 0.372666 O\n0.907043 0.631128 0.372666 O\n0.758632 0.517598 0.502806 O\n0.241368 0.017598 0.502806 O\n0.036260 0.384435 0.488061 O\n0.963740 0.884435 0.488061 O\n0.089697 0.508235 0.251575 O\n0.910303 0.008235 0.251575 O\n0.752064 0.058253 0.123396 O\n0.247936 0.558253 0.123396 O\n0.030114 0.255038 0.133698 O\n0.969886 0.755038 0.133698 O\n0.407727 0.072805 0.118800 O\n0.592273 0.572805 0.118800 O\n0.254926 0.018567 0.249665 O\n0.745074 0.518567 0.249665 O\n0.469132 0.326642 0.235152 O\n0.530868 0.826642 0.235152 O\n",
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"formula_full": "Mg16 Si16 O48",
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{
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"structure_string": "Ca1 Pr1 Cd2\n1.0\n0.000000 3.866571 3.866571\n3.866571 0.000000 3.866571\n3.866571 3.866571 0.000000\nCa Pr Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pr\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
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{
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"structure_string": "K1 Re4 O8 F13\n1.0\n2.713183 14.105798 0.000000\n-2.713183 14.105798 0.000000\n0.000000 0.906040 5.434629\nK Re O F\n1 4 8 13\ndirect\n0.509617 0.490383 0.500000 K\n0.873458 0.974009 0.084199 Re\n0.336040 0.262405 0.616465 Re\n0.737595 0.663960 0.383535 Re\n0.025991 0.126542 0.915801 Re\n0.696720 0.140937 0.826975 O\n0.915105 0.817148 0.175437 O\n0.185321 0.498894 0.693065 O\n0.636631 0.005096 0.689931 O\n0.994904 0.363369 0.310069 O\n0.501106 0.814679 0.306935 O\n0.182852 0.084895 0.824563 O\n0.859063 0.303280 0.173025 O\n0.183682 0.712220 0.909840 F\n0.047553 0.855882 0.353974 F\n0.587595 0.255355 0.288753 F\n0.367429 0.273792 0.276085 F\n0.249035 0.256037 0.895682 F\n0.987397 0.533687 0.502875 F\n0.466313 0.012603 0.497125 F\n0.743963 0.750965 0.104318 F\n0.726208 0.632571 0.723915 F\n0.744645 0.412405 0.711247 F\n0.144118 0.952447 0.646026 F\n0.287780 0.816318 0.090160 F\n0.833930 0.166070 0.000000 F\n",
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{
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"formula_reduced": "MgFe2(SiO3)4",
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"updated_at": "2021-11-28T01:34:38.821000Z",
"spacegroup": 29
},
{
"id": "mp-1106211",
"created_at": "2022-09-04T14:39:26.132902Z",
"structure_string": "As8 O12\n1.0\n0.000000 0.000000 -5.269533\n0.000000 -7.496494 0.000000\n-13.152110 0.000000 0.000000\nAs O\n8 12\ndirect\n0.009342 0.612412 0.115592 As\n0.009342 0.387588 0.884408 As\n0.509342 0.387588 0.115592 As\n0.509342 0.612412 0.884408 As\n0.941199 0.886840 0.384162 As\n0.941199 0.113160 0.615838 As\n0.441199 0.113160 0.384162 As\n0.441199 0.886840 0.615838 As\n0.392322 0.500000 0.000000 O\n0.892322 0.500000 0.000000 O\n0.556732 0.000000 0.500000 O\n0.056732 0.000000 0.500000 O\n0.240214 0.943064 0.322186 O\n0.240214 0.056935 0.677814 O\n0.740214 0.056935 0.322186 O\n0.740214 0.943064 0.677814 O\n0.204218 0.436493 0.175738 O\n0.204218 0.563507 0.824262 O\n0.704218 0.563507 0.175738 O\n0.704218 0.436493 0.824262 O\n",
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"elements": [
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"formula_full": "As8 O12",
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},
{
"id": "mp-758697",
"created_at": "2022-09-04T14:39:26.286770Z",
"structure_string": "Li4 Mn4 P8 O28\n1.0\n8.198447 0.000000 0.000000\n0.000000 6.978443 0.000000\n0.000000 3.217563 8.648155\nLi Mn P O\n4 4 8 28\ndirect\n0.942429 0.299452 0.834003 Li\n0.442429 0.700548 0.665997 Li\n0.557571 0.299452 0.334003 Li\n0.057571 0.700548 0.165997 Li\n0.569915 0.246345 0.870004 Mn\n0.069915 0.753655 0.629996 Mn\n0.930085 0.246345 0.370004 Mn\n0.430085 0.753655 0.129996 Mn\n0.737208 0.540256 0.529234 P\n0.237208 0.459744 0.970766 P\n0.738094 0.930511 0.247239 P\n0.238094 0.069489 0.252761 P\n0.761906 0.930511 0.747239 P\n0.261906 0.069489 0.752761 P\n0.762792 0.540256 0.029234 P\n0.262792 0.459744 0.470766 P\n0.599020 0.485366 0.645583 O\n0.900751 0.574423 0.598761 O\n0.743867 0.377169 0.952126 O\n0.243867 0.622831 0.547874 O\n0.400751 0.425577 0.901239 O\n0.676987 0.747009 0.399820 O\n0.099020 0.514634 0.854417 O\n0.246360 0.882864 0.198077 O\n0.891610 0.881023 0.183139 O\n0.588527 0.960917 0.135784 O\n0.823013 0.747009 0.899820 O\n0.088527 0.039083 0.364216 O\n0.253640 0.882864 0.698077 O\n0.608390 0.881023 0.683139 O\n0.391610 0.118977 0.316861 O\n0.746360 0.117136 0.301923 O\n0.911473 0.960917 0.635784 O\n0.176987 0.252991 0.100180 O\n0.411473 0.039083 0.864216 O\n0.108390 0.118977 0.816861 O\n0.753640 0.117136 0.801923 O\n0.900980 0.485366 0.145583 O\n0.323013 0.252991 0.600180 O\n0.599249 0.574423 0.098761 O\n0.756133 0.377169 0.452126 O\n0.256133 0.622831 0.047874 O\n0.099249 0.425577 0.401239 O\n0.400980 0.514634 0.354417 O\n",
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]
}