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{
"id": "mp-758585",
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{
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{
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"formula_full": "Mg12 Zn2 W2",
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{
"id": "mp-777800",
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"structure_string": "Fe4 O6 F2\n1.0\n3.019483 4.699556 0.000000\n-3.019483 4.699556 0.000000\n0.000000 0.304499 4.689874\nFe O F\n4 6 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.162112 0.162112 0.819004 O\n0.153570 0.652297 0.695015 O\n0.652297 0.153570 0.695015 O\n0.846430 0.347703 0.304985 O\n0.347703 0.846430 0.304985 O\n0.837888 0.837888 0.180996 O\n0.648013 0.648013 0.799829 F\n0.351987 0.351987 0.200171 F\n",
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{
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"structure_string": "V6 O12 F6\n1.0\n5.053508 0.000000 0.000000\n2.368246 4.473333 0.000000\n0.423470 0.326426 12.985841\nV O F\n6 12 6\ndirect\n0.738860 0.625698 0.164378 V\n0.622300 0.703435 0.665406 V\n0.000000 0.000000 0.500000 V\n0.377700 0.296565 0.334594 V\n0.000000 0.000000 0.000000 V\n0.261140 0.374302 0.835622 V\n0.661063 0.075311 0.417842 O\n0.338937 0.924689 0.582158 O\n0.070057 0.674233 0.915627 O\n0.918488 0.755728 0.581408 O\n0.568943 0.417076 0.250887 O\n0.254029 0.079173 0.919054 O\n0.081512 0.244272 0.418592 O\n0.745971 0.920827 0.080946 O\n0.431057 0.582924 0.749113 O\n0.929943 0.325767 0.084373 O\n0.003749 0.416429 0.750478 O\n0.996251 0.583571 0.249522 O\n0.262484 0.666786 0.415907 F\n0.323183 0.739716 0.083857 F\n0.599209 0.006322 0.749502 F\n0.400791 0.993678 0.250498 F\n0.676817 0.260284 0.916143 F\n0.737516 0.333214 0.584093 F\n",
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{
"id": "mp-18203",
"created_at": "2022-09-04T14:40:17.552545Z",
"structure_string": "K2 Ge4 P6 O24\n1.0\n7.974858 -4.065751 0.000000\n7.974858 4.065751 0.000000\n5.902053 0.000000 6.730117\nK Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.147978 0.147978 0.147978 Ge\n0.852022 0.852022 0.852022 Ge\n0.347187 0.347187 0.347187 Ge\n0.652813 0.652813 0.652813 Ge\n0.251650 0.533907 0.966161 P\n0.533907 0.966161 0.251650 P\n0.966161 0.251650 0.533907 P\n0.748350 0.466093 0.033839 P\n0.466093 0.033839 0.748350 P\n0.033839 0.748350 0.466093 P\n0.813029 0.463594 0.528109 O\n0.463594 0.528109 0.813029 O\n0.528109 0.813029 0.463594 O\n0.186971 0.536406 0.471891 O\n0.536406 0.471891 0.186971 O\n0.471891 0.186971 0.536406 O\n0.904848 0.267893 0.112081 O\n0.267893 0.112081 0.904848 O\n0.112081 0.904848 0.267893 O\n0.095152 0.732107 0.887919 O\n0.732107 0.887919 0.095152 O\n0.887919 0.095152 0.732107 O\n0.016334 0.768060 0.636143 O\n0.636143 0.016334 0.768060 O\n0.768060 0.636143 0.016334 O\n0.983666 0.231940 0.363856 O\n0.363857 0.983666 0.231940 O\n0.231940 0.363856 0.983666 O\n0.521861 0.164790 0.214988 O\n0.214988 0.521861 0.164790 O\n0.164790 0.214988 0.521861 O\n0.478139 0.835210 0.785012 O\n0.785012 0.478139 0.835210 O\n0.835210 0.785012 0.478139 O\n",
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{
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"structure_string": "Zn6 Mo6 O24\n1.0\n7.081664 0.000000 0.000000\n-1.742318 8.318979 0.000000\n-2.861659 -1.844404 9.303721\nZn Mo O\n6 6 24\ndirect\n0.252288 0.693611 0.910225 Zn\n0.747712 0.306389 0.089775 Zn\n0.533727 0.698810 0.485481 Zn\n0.466273 0.301190 0.514519 Zn\n0.967923 0.884093 0.712522 Zn\n0.032077 0.115907 0.287478 Zn\n0.504700 0.986879 0.756596 Mo\n0.495300 0.013121 0.243404 Mo\n0.699246 0.602131 0.838802 Mo\n0.300754 0.397869 0.161198 Mo\n0.978774 0.707569 0.374184 Mo\n0.021226 0.292431 0.625816 Mo\n0.264044 0.866675 0.765590 O\n0.735956 0.133325 0.234410 O\n0.555842 0.709659 0.919815 O\n0.444158 0.290341 0.080185 O\n0.555171 0.517831 0.649997 O\n0.444829 0.482169 0.350003 O\n0.552670 0.870327 0.354055 O\n0.447330 0.129673 0.645945 O\n0.661098 0.097452 0.927907 O\n0.338902 0.902548 0.072093 O\n0.648061 0.859791 0.681134 O\n0.351939 0.140209 0.318866 O\n0.022012 0.121122 0.715557 O\n0.977988 0.878878 0.284443 O\n0.048715 0.267995 0.143938 O\n0.951285 0.732005 0.856062 O\n0.148452 0.477938 0.753201 O\n0.851548 0.522062 0.246799 O\n0.143008 0.268068 0.485609 O\n0.856992 0.731932 0.514391 O\n0.254995 0.559764 0.071335 O\n0.745005 0.440236 0.928665 O\n0.236111 0.707736 0.461081 O\n0.763889 0.292264 0.538919 O\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n3.024276 0.000000 0.000000\n0.378408 5.993530 0.000000\n0.323273 2.844283 12.076042\nLi Mn Co O\n7 2 3 12\ndirect\n0.999177 0.498346 0.002716 Li\n0.497995 0.336168 0.829866 Li\n0.500467 0.662963 0.169667 Li\n0.003444 0.822634 0.336733 Li\n0.500001 0.000106 0.499952 Li\n0.998016 0.178366 0.661272 Li\n0.499151 0.499803 0.499376 Li\n0.010480 0.001865 0.001226 Mn\n0.496760 0.832871 0.829262 Mn\n0.988920 0.658697 0.657659 Co\n0.999481 0.341612 0.340419 Co\n0.506346 0.164827 0.172580 Co\n0.542169 0.242765 0.009791 O\n0.030126 0.072730 0.839268 O\n0.991561 0.397486 0.181841 O\n0.523916 0.562659 0.334120 O\n0.999548 0.744884 0.514735 O\n0.525209 0.903725 0.669639 O\n0.467918 0.757709 0.992830 O\n0.969511 0.598228 0.817821 O\n0.018945 0.932520 0.162229 O\n0.465034 0.096272 0.328876 O\n0.998395 0.255145 0.483553 O\n0.467432 0.437621 0.664568 O\n",
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{
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{
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{
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"formula_full": "Sr2 Yb2 Al6 Si2 N8 O6",
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{
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"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n1.672131 -2.896216 0.000000\n1.672131 2.896216 0.000000\n0.000000 0.000000 38.022380\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333333 0.666667 0.707457 Te\n0.333333 0.666667 0.607612 Te\n0.333333 0.666667 0.093896 Mo\n0.333333 0.666667 0.469650 Mo\n0.666667 0.333333 0.657560 Mo\n0.666667 0.333333 0.281802 W\n0.333333 0.666667 0.325870 Se\n0.666667 0.333333 0.050080 Se\n0.666667 0.333333 0.137745 Se\n0.333333 0.666667 0.237756 Se\n0.666667 0.333333 0.429782 S\n0.666667 0.333333 0.509539 S\n",
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"chemical_system": "Mo-S-Se-Te-W",
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"density_atomic": 0.03258447331463306,
"volume": 368.2735603589158,
"volume_molar": 18.481626822231224,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
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"updated_at": "2021-11-28T01:34:55.022000Z",
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}
]
}