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{
"id": "mp-978506",
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"structure_string": "Sm1 Si1 O3\n1.0\n3.768474 0.000000 0.000000\n0.000000 3.768474 0.000000\n0.000000 0.000000 3.768474\nSm Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
"id": "mp-510070",
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"structure_string": "Sr6 Ni2 Rh2 O12\n1.0\n6.720537 -0.014521 -0.240639\n-0.248336 6.713451 -0.240794\n-0.014448 -0.015113 6.725058\nSr Ni Rh O\n6 2 2 12\ndirect\n0.615101 0.884863 0.250115 Sr\n0.250009 0.615099 0.884824 Sr\n0.884850 0.250016 0.615095 Sr\n0.384901 0.115137 0.749884 Sr\n0.749993 0.384899 0.115177 Sr\n0.115150 0.749984 0.384905 Sr\n0.250017 0.250006 0.250032 Ni\n0.749983 0.749995 0.749969 Ni\n0.999994 0.999992 0.999990 Rh\n0.500002 0.499998 0.500009 Rh\n0.288370 0.964246 0.089466 O\n0.089586 0.288365 0.964254 O\n0.964242 0.089525 0.288441 O\n0.535706 0.211645 0.410420 O\n0.410495 0.535738 0.211707 O\n0.211649 0.410507 0.535730 O\n0.711632 0.035752 0.910539 O\n0.910414 0.711639 0.035748 O\n0.035758 0.910474 0.711559 O\n0.464291 0.788356 0.589580 O\n0.589505 0.464266 0.788287 O\n0.788353 0.589495 0.464269 O\n",
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"formula_full": "Sr6 Ni2 Rh2 O12",
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{
"id": "mp-606703",
"created_at": "2022-09-04T14:41:22.115262Z",
"structure_string": "Ce8 Ge6 S24\n1.0\n6.226801 -9.732951 0.000000\n6.226801 9.732951 0.000000\n-8.986521 0.000000 7.262631\nCe Ge S\n8 6 24\ndirect\n0.931885 0.472134 0.707706 Ce\n0.707706 0.931885 0.472134 Ce\n0.207706 0.972134 0.431885 Ce\n0.472134 0.707706 0.931885 Ce\n0.972134 0.431885 0.207706 Ce\n0.999788 0.999788 0.999788 Ce\n0.431885 0.207706 0.972134 Ce\n0.499788 0.499788 0.499788 Ce\n0.467003 0.854301 0.641580 Ge\n0.141580 0.354301 0.967003 Ge\n0.967003 0.141580 0.354301 Ge\n0.854301 0.641580 0.467003 Ge\n0.641580 0.467003 0.854301 Ge\n0.354301 0.967003 0.141580 Ge\n0.688926 0.873369 0.688520 S\n0.373369 0.188926 0.188520 S\n0.295484 0.609453 0.583252 S\n0.583252 0.295484 0.609453 S\n0.781617 0.383524 0.313189 S\n0.688520 0.688926 0.873369 S\n0.609453 0.583252 0.295484 S\n0.813189 0.883524 0.281617 S\n0.129588 0.852078 0.582756 S\n0.352078 0.629588 0.082756 S\n0.582756 0.129588 0.852078 S\n0.083252 0.109453 0.795484 S\n0.109453 0.795484 0.083252 S\n0.188926 0.188520 0.373369 S\n0.188520 0.373369 0.188926 S\n0.629588 0.082756 0.352078 S\n0.383524 0.313189 0.781617 S\n0.082756 0.352078 0.629588 S\n0.281617 0.813189 0.883524 S\n0.883524 0.281617 0.813189 S\n0.313189 0.781617 0.383524 S\n0.852078 0.582756 0.129588 S\n0.873369 0.688520 0.688926 S\n0.795484 0.083252 0.109453 S\n",
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{
"id": "mp-1305526",
"created_at": "2022-09-04T14:41:21.254790Z",
"structure_string": "Li4 V10 O20\n1.0\n5.179512 -0.068397 0.314315\n1.841492 6.699062 7.116078\n-1.099762 -3.223993 7.660136\nLi V O\n4 10 20\ndirect\n0.730950 0.466538 0.928135 Li\n0.246029 0.974939 0.424444 Li\n0.769034 0.033430 0.571951 Li\n0.253787 0.525067 0.075543 Li\n0.249947 0.749945 0.250170 V\n0.750032 0.249977 0.750013 V\n0.778238 0.348518 0.337524 V\n0.289252 0.849790 0.833819 V\n0.721607 0.151077 0.162578 V\n0.211071 0.650488 0.666055 V\n0.264439 0.429768 0.467827 V\n0.768290 0.922500 0.967285 V\n0.235353 0.070349 0.032078 V\n0.731983 0.577371 0.532795 V\n0.012654 0.036784 0.825229 O\n0.518790 0.547729 0.327080 O\n0.487355 0.463285 0.674680 O\n0.981194 0.952287 0.172924 O\n0.923816 0.142729 0.361141 O\n0.413085 0.642304 0.865318 O\n0.576219 0.357088 0.138890 O\n0.086906 0.857842 0.634664 O\n0.949592 0.373544 0.579726 O\n0.461589 0.856216 0.070879 O\n0.550409 0.126460 0.920286 O\n0.038403 0.643862 0.429086 O\n0.931845 0.245146 0.973021 O\n0.456355 0.745333 0.476079 O\n0.568019 0.254888 0.526950 O\n0.043688 0.754710 0.023940 O\n0.049406 0.426927 0.264320 O\n0.563675 0.923837 0.759816 O\n0.450350 0.073016 0.235729 O\n0.936639 0.576257 0.740026 O\n",
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{
"id": "mp-1194354",
"created_at": "2022-09-04T14:41:22.123492Z",
"structure_string": "K3 Ti4 Si3 O20\n1.0\n7.837445 0.000000 0.000000\n0.000000 7.837445 0.000000\n0.000000 0.000000 7.837445\nK Ti Si O\n3 4 3 20\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.853549 0.853549 0.146451 Ti\n0.853549 0.146451 0.853549 Ti\n0.146451 0.853549 0.853549 Ti\n0.146451 0.146451 0.146451 Ti\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.616360 0.876934 0.123066 O\n0.876934 0.876934 0.383640 O\n0.876934 0.616360 0.123066 O\n0.616360 0.123066 0.876934 O\n0.876934 0.123066 0.616360 O\n0.876934 0.383640 0.876934 O\n0.383640 0.876934 0.876934 O\n0.123066 0.876934 0.616360 O\n0.123066 0.616360 0.876934 O\n0.383640 0.123066 0.123066 O\n0.123066 0.123066 0.383640 O\n0.123066 0.383640 0.123066 O\n0.112184 0.112184 0.887816 O\n0.112184 0.887816 0.112184 O\n0.887816 0.112184 0.112184 O\n0.887816 0.887816 0.887816 O\n0.321541 0.321541 0.678459 O\n0.321541 0.678459 0.321541 O\n0.678459 0.321541 0.321541 O\n0.678459 0.678459 0.678459 O\n",
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{
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{
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{
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{
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"structure_string": "Li8 V6 P16 O58\n1.0\n9.739790 0.000000 0.000000\n4.832872 8.497959 0.000000\n0.123564 0.018007 14.340131\nLi V P O\n8 6 16 58\ndirect\n0.231786 0.091585 0.550716 Li\n0.095385 0.668820 0.554077 Li\n0.237175 0.661424 0.061008 Li\n0.668453 0.096164 0.063583 Li\n0.674717 0.231320 0.557381 Li\n0.321950 0.912121 0.944434 Li\n0.964141 0.060043 0.005561 Li\n0.003539 0.996198 0.481491 Li\n0.437784 0.563366 0.254245 V\n0.566272 0.435820 0.749897 V\n0.435453 0.002378 0.745934 V\n0.565359 0.998882 0.248640 V\n0.000419 0.434408 0.246383 V\n0.999195 0.560433 0.754776 V\n0.082846 0.219102 0.843636 P\n0.218236 0.088653 0.337634 P\n0.084646 0.689068 0.342366 P\n0.334287 0.338362 0.131506 P\n0.330943 0.337900 0.633220 P\n0.228107 0.684382 0.841228 P\n0.308279 0.776288 0.659737 P\n0.686266 0.088726 0.844192 P\n0.312034 0.909467 0.159106 P\n0.687439 0.223340 0.343606 P\n0.779939 0.306655 0.164434 P\n0.672280 0.663981 0.364855 P\n0.661530 0.668533 0.865678 P\n0.918363 0.304384 0.660148 P\n0.783865 0.912827 0.665331 P\n0.918369 0.779308 0.161156 P\n0.007690 0.206639 0.578479 O\n0.079564 0.259741 0.324952 O\n0.227638 0.980143 0.069962 O\n0.257277 0.084444 0.833952 O\n0.077598 0.381303 0.829864 O\n0.189311 0.336318 0.179764 O\n0.080270 0.535163 0.329616 O\n0.014693 0.789754 0.082981 O\n0.086352 0.655005 0.833229 O\n0.324080 0.189259 0.668460 O\n0.376599 0.084230 0.328643 O\n0.185628 0.485663 0.679591 O\n0.321621 0.357884 0.028350 O\n0.325282 0.351080 0.529463 O\n0.332377 0.486940 0.176147 O\n0.531955 0.087315 0.829544 O\n0.486919 0.187488 0.163813 O\n0.258330 0.655104 0.328530 O\n0.211901 0.799823 0.757533 O\n0.205800 0.782867 0.581293 O\n0.232072 0.760156 0.931107 O\n0.383361 0.526361 0.823664 O\n0.485267 0.330020 0.672345 O\n0.347815 0.735562 0.164807 O\n0.531594 0.381382 0.329177 O\n0.652141 0.088002 0.327334 O\n0.202476 0.994257 0.249008 O\n0.193256 0.021863 0.426422 O\n0.796128 0.005415 0.585865 O\n0.340630 0.916323 0.657505 O\n0.463794 0.617720 0.672110 O\n0.658208 0.258521 0.823440 O\n0.524855 0.658964 0.319011 O\n0.617948 0.457550 0.172705 O\n0.793443 0.199974 0.086505 O\n0.766983 0.207889 0.434515 O\n0.804580 0.211256 0.261120 O\n0.743265 0.342623 0.659832 O\n0.512002 0.814800 0.828117 O\n0.465880 0.916202 0.171742 O\n0.664076 0.521106 0.816784 O\n0.668024 0.656688 0.968615 O\n0.670626 0.651156 0.467431 O\n0.816433 0.518954 0.316101 O\n0.621266 0.918316 0.673712 O\n0.669875 0.810131 0.322387 O\n0.914579 0.346968 0.162546 O\n0.993299 0.204343 0.753763 O\n0.007032 0.201173 0.928939 O\n0.923939 0.459660 0.674356 O\n0.811705 0.666212 0.819009 O\n0.923821 0.618856 0.171395 O\n0.745591 0.916004 0.158589 O\n0.764147 0.033660 0.936531 O\n0.806505 0.981929 0.762719 O\n0.919461 0.738660 0.664118 O\n0.022270 0.772704 0.433086 O\n0.986604 0.804722 0.259048 O\n",
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"elements": [
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],
"chemical_system": "Li-O-P-V",
"density": 2.4969073440940845,
"density_atomic": 0.0741421761490829,
"volume": 1186.908782162695,
"volume_molar": 8.122422449390825,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
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"energy_per_atom": -7.618188308409091,
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"formation_energy": null,
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"energy_uncorrected": -620.35457114,
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"updated_at": "2021-11-28T01:35:18.753000Z",
"spacegroup": 1
},
{
"id": "mp-37919",
"created_at": "2022-09-04T14:41:23.378723Z",
"structure_string": "Y2 C2 Br2\n1.0\n4.575828 0.000000 0.000000\n0.000000 5.015189 0.000000\n0.000000 0.000000 5.385092\nY C Br\n2 2 2\ndirect\n0.000000 0.000000 0.123484 Y\n0.500000 0.500000 0.876516 Y\n0.000000 0.500000 0.048890 C\n0.500000 0.000000 0.951110 C\n0.000000 0.500000 0.474534 Br\n0.500000 0.000000 0.525466 Br\n",
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],
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"formula_full": "Y2 C2 Br2",
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"spacegroup": 59
},
{
"id": "mp-1247554",
"created_at": "2022-09-04T14:41:22.389697Z",
"structure_string": "Mg2 Co10 N8\n1.0\n7.988866 0.000000 0.000000\n0.000000 5.737737 0.000000\n0.000000 0.000000 4.404383\nMg Co N\n2 10 8\ndirect\n0.750000 0.250000 0.703758 Mg\n0.250000 0.750000 0.296242 Mg\n0.580893 0.495645 0.266078 Co\n0.919107 0.495645 0.266078 Co\n0.580893 0.004355 0.266078 Co\n0.919107 0.004355 0.266078 Co\n0.419107 0.504355 0.733922 Co\n0.080893 0.504355 0.733922 Co\n0.419107 0.995645 0.733922 Co\n0.080893 0.995645 0.733922 Co\n0.750000 0.750000 0.705989 Co\n0.250000 0.250000 0.294011 Co\n0.750000 0.978397 0.003264 N\n0.750000 0.521603 0.003264 N\n0.250000 0.021603 0.996736 N\n0.250000 0.478397 0.996736 N\n0.531123 0.750000 0.518347 N\n0.968877 0.750000 0.518347 N\n0.468878 0.250000 0.481653 N\n0.031123 0.250000 0.481653 N\n",
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]
}