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{
"id": "mp-31739",
"created_at": "2022-09-04T14:48:27.947035Z",
"structure_string": "Li4 Cr2 P8 O26\n1.0\n5.058613 0.000000 0.000000\n1.113162 7.880498 0.000000\n0.597764 2.622448 13.057394\nLi Cr P O\n4 2 8 26\ndirect\n0.593799 0.695899 0.015801 Li\n0.072762 0.323921 0.518113 Li\n0.406201 0.304101 0.984199 Li\n0.927238 0.676079 0.481887 Li\n0.450195 0.048222 0.756857 Cr\n0.549805 0.951778 0.243143 Cr\n0.993562 0.894481 0.650176 P\n0.321159 0.657149 0.804157 P\n0.648115 0.426217 0.676778 P\n0.006438 0.105519 0.349824 P\n0.904248 0.198965 0.860648 P\n0.678841 0.342851 0.195843 P\n0.351885 0.573783 0.323222 P\n0.095752 0.801035 0.139352 P\n0.745483 0.056084 0.839160 O\n0.042192 0.737656 0.751166 O\n0.285192 0.510608 0.889400 O\n0.872591 0.356550 0.761502 O\n0.301062 0.030948 0.345119 O\n0.795173 0.866378 0.136059 O\n0.496817 0.598198 0.709059 O\n0.069662 0.821402 0.556850 O\n0.204827 0.133622 0.863941 O\n0.208911 0.738581 0.045840 O\n0.791089 0.261419 0.954160 O\n0.503183 0.401802 0.290941 O\n0.549589 0.196110 0.167800 O\n0.836207 0.964367 0.332259 O\n0.454279 0.294488 0.682622 O\n0.211997 0.520513 0.423599 O\n0.930338 0.178598 0.443150 O\n0.698938 0.969052 0.654881 O\n0.788003 0.479487 0.576401 O\n0.545721 0.705512 0.317378 O\n0.127409 0.643450 0.238498 O\n0.163793 0.035633 0.667741 O\n0.450411 0.803890 0.832200 O\n0.254517 0.943916 0.160840 O\n0.957808 0.262344 0.248834 O\n0.714808 0.489392 0.110600 O\n",
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{
"id": "mp-1210006",
"created_at": "2022-09-04T14:48:27.276193Z",
"structure_string": "Na2 Li2 Tm4 F16\n1.0\n4.133651 -5.213617 0.000000\n4.133651 5.213617 0.000000\n0.000000 0.000000 7.009049\nNa Li Tm F\n2 2 4 16\ndirect\n0.655918 0.655918 0.250000 Na\n0.344082 0.344082 0.750000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.075407 0.450146 0.250000 Tm\n0.924593 0.549854 0.750000 Tm\n0.450146 0.075407 0.250000 Tm\n0.549854 0.924593 0.750000 Tm\n0.087744 0.087744 0.250000 F\n0.912256 0.912256 0.750000 F\n0.934668 0.657594 0.050176 F\n0.065332 0.342406 0.949824 F\n0.657594 0.934668 0.449824 F\n0.342406 0.065332 0.550176 F\n0.388184 0.388184 0.250000 F\n0.611816 0.611816 0.750000 F\n0.746044 0.304538 0.250000 F\n0.253956 0.695462 0.750000 F\n0.304538 0.746044 0.250000 F\n0.695462 0.253956 0.750000 F\n0.065332 0.342406 0.550176 F\n0.934668 0.657594 0.449824 F\n0.342406 0.065332 0.949824 F\n0.657594 0.934668 0.050176 F\n",
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"formula_full": "Na2 Li2 Tm4 F16",
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},
{
"id": "mp-805503",
"created_at": "2022-09-04T14:48:24.186830Z",
"structure_string": "Li3 Mn5 Cr3 O16\n1.0\n5.840652 0.000000 0.000000\n-2.917924 -5.139517 0.000000\n0.008709 3.337373 -9.634029\nLi Mn Cr O\n3 5 3 16\ndirect\n0.686742 0.237750 0.567968 Li\n0.187473 0.247704 0.060947 Li\n0.319193 0.761545 0.437023 Li\n0.500078 0.003197 0.998386 Mn\n0.750921 0.495988 0.752821 Mn\n0.249852 0.500907 0.249708 Mn\n0.252399 0.499137 0.752413 Mn\n0.751796 0.500789 0.248592 Mn\n0.249909 0.997082 0.753141 Cr\n0.000221 0.998701 0.501293 Cr\n0.753419 0.004200 0.248432 Cr\n0.609776 0.035128 0.871497 O\n0.168179 0.037902 0.871846 O\n0.616098 0.519837 0.354360 O\n0.113978 0.516089 0.856246 O\n0.344824 0.962171 0.635845 O\n0.396687 0.528560 0.131788 O\n0.885786 0.959256 0.636293 O\n0.896606 0.515122 0.638268 O\n0.105923 0.485241 0.363277 O\n0.602718 0.466539 0.868960 O\n0.116764 0.039563 0.365503 O\n0.891445 0.481344 0.148302 O\n0.655334 0.039073 0.364552 O\n0.387522 0.481743 0.646496 O\n0.840185 0.967304 0.129185 O\n0.390465 0.967717 0.130403 O\n",
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],
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"formula_full": "Li3 Mn5 Cr3 O16",
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{
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},
{
"id": "mp-1193219",
"created_at": "2022-09-04T14:48:30.576278Z",
"structure_string": "Fe4 Mo8 S16\n1.0\n3.245033 5.923911 0.000000\n-3.245033 5.923911 0.000000\n0.000000 5.556598 11.764501\nFe Mo S\n4 8 16\ndirect\n0.535059 0.281263 0.450308 Fe\n0.281263 0.535059 0.950308 Fe\n0.800578 0.038580 0.948707 Fe\n0.038580 0.800578 0.448707 Fe\n0.869331 0.652036 0.706104 Mo\n0.652036 0.869331 0.206104 Mo\n0.462323 0.670250 0.692971 Mo\n0.670250 0.462323 0.192971 Mo\n0.932318 0.214987 0.689670 Mo\n0.214987 0.932318 0.189670 Mo\n0.400244 0.107746 0.707305 Mo\n0.107746 0.400244 0.207305 Mo\n0.824017 0.579746 0.550179 S\n0.579746 0.824017 0.050179 S\n0.506645 0.745280 0.848226 S\n0.745280 0.506645 0.348226 S\n0.030280 0.782031 0.807540 S\n0.782031 0.030280 0.307540 S\n0.302171 0.539980 0.590686 S\n0.539980 0.302171 0.090686 S\n0.531355 0.263439 0.815654 S\n0.263439 0.531355 0.315654 S\n0.801254 0.059350 0.583553 S\n0.059350 0.801254 0.083553 S\n0.316457 0.056340 0.559507 S\n0.056340 0.316457 0.059507 S\n0.015781 0.265158 0.838589 S\n0.265158 0.015781 0.338589 S\n",
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"formula_full": "Fe4 Mo8 S16",
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{
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"structure_string": "H24 Os1 C8 N2 F6\n1.0\n7.139002 -4.080528 0.000000\n7.139002 4.080528 0.000000\n4.806645 0.000000 6.671749\nH Os C N F\n24 1 8 2 6\ndirect\n0.284842 0.974193 0.252331 H\n0.283117 0.251496 0.487478 H\n0.507616 0.987917 0.230533 H\n0.492384 0.012083 0.769467 H\n0.974194 0.252331 0.284842 H\n0.465780 0.307010 0.960228 H\n0.251496 0.487478 0.283117 H\n0.748504 0.512522 0.716883 H\n0.692990 0.039772 0.534220 H\n0.960228 0.465780 0.307010 H\n0.025807 0.747669 0.715158 H\n0.715158 0.025807 0.747669 H\n0.987917 0.230533 0.507616 H\n0.716883 0.748504 0.512522 H\n0.230533 0.507616 0.987917 H\n0.012083 0.769467 0.492384 H\n0.487478 0.283117 0.251496 H\n0.769467 0.492384 0.012083 H\n0.307010 0.960228 0.465780 H\n0.512522 0.716883 0.748504 H\n0.534220 0.692990 0.039772 H\n0.747669 0.715158 0.025807 H\n0.039772 0.534220 0.692990 H\n0.252331 0.284842 0.974193 H\n0.000000 0.000000 0.000000 Os\n0.974646 0.696622 0.655850 C\n0.676511 0.676511 0.676511 C\n0.696622 0.655850 0.974646 C\n0.344150 0.025354 0.303378 C\n0.025354 0.303378 0.344150 C\n0.655850 0.974646 0.696622 C\n0.303378 0.344150 0.025354 C\n0.323489 0.323489 0.323489 C\n0.249221 0.249221 0.249221 N\n0.750779 0.750779 0.750779 N\n0.193880 0.832189 0.140514 F\n0.859486 0.806120 0.167811 F\n0.167811 0.859486 0.806120 F\n0.140514 0.193880 0.832189 F\n0.832189 0.140514 0.193880 F\n0.806120 0.167811 0.859486 F\n",
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{
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{
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{
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{
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"formula_full": "Ba1 Na1 Dy1 W1 O6",
"formula_reduced": "BaNaDyWO6",
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"spacegroup": 216
},
{
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"structure_string": "Br2 F10\n1.0\n3.366393 -3.750450 0.000000\n3.366393 3.750450 0.000000\n0.000000 0.000000 7.995674\nBr F\n2 10\ndirect\n0.826429 0.173571 0.749986 Br\n0.173571 0.826429 0.249986 Br\n0.082691 0.457250 0.741003 F\n0.917309 0.542750 0.241003 F\n0.348650 0.651350 0.104437 F\n0.651350 0.348650 0.604437 F\n0.344064 0.655936 0.409739 F\n0.655936 0.344064 0.909739 F\n0.025697 0.974303 0.063834 F\n0.974303 0.025697 0.563834 F\n0.457250 0.082691 0.241003 F\n0.542750 0.917309 0.741003 F\n",
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"volume": 201.8985823020005,
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"formula_full": "Br2 F10",
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},
{
"id": "mp-1114036",
"created_at": "2022-09-04T14:48:29.814125Z",
"structure_string": "K1 Rb2 Sc1 Cl6\n1.0\n0.000000 5.489413 5.489413\n5.489413 0.000000 5.489413\n5.489413 5.489413 0.000000\nK Rb Sc Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.772471 0.227529 0.227529 Cl\n0.227529 0.227529 0.772471 Cl\n0.227529 0.772471 0.772471 Cl\n0.227529 0.772471 0.227529 Cl\n0.772471 0.227529 0.772471 Cl\n0.772471 0.772471 0.227529 Cl\n",
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"elements": [
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"density": 2.3475562447251517,
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"volume": 330.8321559174983,
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"formula_full": "K1 Rb2 Sc1 Cl6",
"formula_reduced": "KRb2ScCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
}
]
}