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{
"id": "mp-1105511",
"created_at": "2022-09-04T14:47:26.162712Z",
"structure_string": "Er2 Cr2 Te2 O12\n1.0\n-2.594764 -4.494302 0.000001\n-2.594798 4.494321 -0.000002\n-0.000005 0.000008 -9.696493\nEr Cr Te O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.333324 0.666662 0.250000 Cr\n0.666676 0.333338 0.750000 Cr\n0.333379 0.666689 0.750000 Te\n0.666621 0.333311 0.250000 Te\n0.363029 0.352572 0.138502 O\n0.647393 0.010450 0.138502 O\n0.989517 0.636936 0.138502 O\n0.636971 0.647428 0.861498 O\n0.352607 0.989550 0.861498 O\n0.010483 0.363064 0.861498 O\n0.647393 0.636943 0.361498 O\n0.363029 0.010457 0.361498 O\n0.989517 0.352581 0.361498 O\n0.352607 0.363057 0.638502 O\n0.636971 0.989543 0.638502 O\n0.010483 0.647419 0.638502 O\n",
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{
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"formula_full": "Ba4 Mg2 Co4 Cu2 F28",
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{
"id": "mp-1204852",
"created_at": "2022-09-04T14:47:26.188800Z",
"structure_string": "Cs8 Mo8 S8 Cl16 O16\n1.0\n21.158128 0.000000 0.000000\n0.000000 7.622479 0.000000\n0.000000 0.886693 10.681207\nCs Mo S Cl O\n8 8 8 16 16\ndirect\n0.929865 0.797978 0.513875 Cs\n0.429865 0.202022 0.986125 Cs\n0.070135 0.202022 0.486125 Cs\n0.570135 0.797978 0.013875 Cs\n0.701314 0.402545 0.780548 Cs\n0.201314 0.597455 0.719452 Cs\n0.298686 0.597455 0.219452 Cs\n0.798686 0.402545 0.280548 Cs\n0.920043 0.255555 0.769603 Mo\n0.420043 0.744445 0.730397 Mo\n0.079957 0.744445 0.230397 Mo\n0.579957 0.255555 0.269603 Mo\n0.823435 0.992540 0.016975 Mo\n0.323435 0.007460 0.483025 Mo\n0.176565 0.007460 0.983025 Mo\n0.676565 0.992540 0.516975 Mo\n0.848899 0.830470 0.836459 S\n0.348899 0.169530 0.663541 S\n0.151101 0.169530 0.163541 S\n0.651101 0.830470 0.336459 S\n0.580213 0.177938 0.483922 S\n0.080213 0.822062 0.016078 S\n0.419787 0.822062 0.516078 S\n0.919787 0.177938 0.983922 S\n0.920201 0.359707 0.509807 Cl\n0.420201 0.640293 0.990193 Cl\n0.079799 0.640293 0.490193 Cl\n0.579799 0.359707 0.009807 Cl\n0.649340 0.941404 0.733260 Cl\n0.149340 0.058596 0.766740 Cl\n0.350660 0.058596 0.266740 Cl\n0.850660 0.941404 0.233260 Cl\n0.755877 0.754496 0.547591 Cl\n0.255877 0.245504 0.952409 Cl\n0.244123 0.245504 0.452409 Cl\n0.744123 0.754496 0.047591 Cl\n0.497597 0.529342 0.723485 Cl\n0.997597 0.470658 0.776515 Cl\n0.502403 0.470658 0.276515 Cl\n0.002403 0.529342 0.223485 Cl\n0.887242 0.776452 0.960045 O\n0.387242 0.223548 0.539955 O\n0.112758 0.223548 0.039955 O\n0.612758 0.776452 0.460045 O\n0.840883 0.304156 0.744239 O\n0.340883 0.695844 0.755761 O\n0.159117 0.695844 0.255761 O\n0.659117 0.304156 0.244239 O\n0.942503 0.058924 0.708962 O\n0.442503 0.941076 0.791038 O\n0.057497 0.941076 0.291038 O\n0.557497 0.058924 0.208962 O\n0.729185 0.165514 0.495237 O\n0.229185 0.834486 0.004763 O\n0.270815 0.834486 0.504763 O\n0.770815 0.165514 0.995237 O\n",
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"volume": 1722.637148122788,
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"formula_full": "Cs8 Mo8 S8 Cl16 O16",
"formula_reduced": "CsMoS(ClO)2",
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"spacegroup": 14
},
{
"id": "mp-777445",
"created_at": "2022-09-04T14:47:26.126121Z",
"structure_string": "Li6 Fe8 B8 O24\n1.0\n5.223558 0.000000 0.000000\n-2.597615 4.559766 0.000000\n-0.287961 -0.423250 20.409550\nLi Fe B O\n6 8 8 24\ndirect\n0.676911 0.653687 0.330061 Li\n0.674233 0.650769 0.831185 Li\n0.649254 0.675006 0.584135 Li\n0.342148 0.336081 0.204881 Li\n0.334018 0.345701 0.456605 Li\n0.341396 0.349503 0.958592 Li\n0.988277 0.674413 0.188078 Fe\n0.010129 0.672623 0.692506 Fe\n0.329413 0.995259 0.067238 Fe\n0.315816 0.006013 0.566676 Fe\n0.674763 0.000918 0.441663 Fe\n0.679576 0.005374 0.940584 Fe\n0.991874 0.319894 0.315030 Fe\n0.007620 0.319129 0.813662 Fe\n0.000260 0.337332 0.063200 B\n0.995192 0.336596 0.564730 B\n0.666754 0.004257 0.187783 B\n0.668997 0.006598 0.687696 B\n0.339369 0.998042 0.312807 B\n0.342697 0.000246 0.813376 B\n0.005028 0.667955 0.438602 B\n0.004666 0.666687 0.939514 B\n0.928110 0.257986 0.205083 O\n0.900635 0.272255 0.709840 O\n0.726894 0.101618 0.044893 O\n0.019610 0.600159 0.083054 O\n0.740743 0.071700 0.549703 O\n0.972708 0.578907 0.587004 O\n0.418690 0.031114 0.167512 O\n0.731822 0.651226 0.432330 O\n0.398723 0.984415 0.671455 O\n0.737080 0.656779 0.930929 O\n0.641413 0.732900 0.190885 O\n0.702972 0.764346 0.679670 O\n0.360301 0.269286 0.305858 O\n0.354343 0.265173 0.815855 O\n0.249468 0.311804 0.058340 O\n0.587222 0.979226 0.333493 O\n0.269920 0.362206 0.556614 O\n0.586293 0.973273 0.831414 O\n0.028194 0.420080 0.423702 O\n0.028542 0.420434 0.923238 O\n0.252295 0.929499 0.459477 O\n0.254022 0.923324 0.962725 O\n0.076045 0.741768 0.297393 O\n0.077268 0.745082 0.792451 O\n",
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"volume": 486.11878804623007,
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"formula_full": "Li6 Fe8 B8 O24",
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{
"id": "mp-1186126",
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"structure_string": "Na1 Co1 O3\n1.0\n3.763369 0.000000 0.000000\n0.000000 3.763369 0.000000\n0.000000 0.000000 3.763369\nNa Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Co\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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"structure_string": "Li8 V6 O16\n1.0\n-1.556798 2.600533 5.007230\n5.409704 -1.537878 2.489730\n3.859231 7.136749 -2.522737\nLi V O\n8 6 16\ndirect\n0.007181 0.001969 0.999170 Li\n0.492864 0.503500 0.499515 Li\n0.496219 0.497815 0.000178 Li\n0.004539 0.998600 0.500619 Li\n0.493298 0.214160 0.856694 Li\n0.007561 0.715818 0.357488 Li\n0.494094 0.782663 0.142921 Li\n0.005237 0.282182 0.643207 Li\n0.494367 0.001411 0.498070 V\n0.245579 0.746178 0.745514 V\n0.253262 0.247922 0.244280 V\n0.005646 0.499505 0.999161 V\n0.753931 0.252881 0.254827 V\n0.745523 0.751728 0.754531 V\n0.004234 0.471674 0.235546 O\n0.494941 0.969904 0.734108 O\n0.993218 0.526866 0.763693 O\n0.506550 0.028147 0.262968 O\n0.489030 0.462165 0.244682 O\n0.010460 0.961328 0.745120 O\n0.750427 0.732814 0.974153 O\n0.274097 0.220116 0.488861 O\n0.225511 0.718395 0.989550 O\n0.749887 0.233531 0.474279 O\n0.485314 0.536967 0.757018 O\n0.015109 0.038288 0.256749 O\n0.239148 0.269240 0.013751 O\n0.735783 0.781459 0.523963 O\n0.765155 0.280762 0.024181 O\n0.261836 0.772013 0.515200 O\n",
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{
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"structure_string": "Ca2 Cu1 C1 N2 O2\n1.0\n3.754083 0.000000 0.000000\n0.000000 3.754083 0.000000\n0.000000 0.000000 7.881647\nCa Cu C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.701708 Ca\n0.500000 0.500000 0.298292 Ca\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.841940 N\n0.000000 0.000000 0.158060 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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"formula_full": "Ca2 Cu1 C1 N2 O2",
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{
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"structure_string": "Mg2 Fe4 O8\n1.0\n5.231235 -3.019932 0.000000\n5.231235 3.019932 0.000000\n3.487863 0.000000 4.931595\nMg Fe O\n2 4 8\ndirect\n0.003465 0.003465 0.003465 Mg\n0.626112 0.626112 0.626112 Mg\n0.245933 0.245933 0.245933 Fe\n0.627110 0.627110 0.116127 Fe\n0.116127 0.627110 0.627110 Fe\n0.627110 0.116127 0.627110 Fe\n0.379477 0.853343 0.379477 O\n0.853343 0.379477 0.379477 O\n0.379477 0.379477 0.853343 O\n0.380195 0.380195 0.380195 O\n0.867006 0.867006 0.867006 O\n0.869413 0.869413 0.405820 O\n0.405820 0.869413 0.869413 O\n0.869413 0.405820 0.869413 O\n",
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{
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"structure_string": "Li7 Mn17 O32\n1.0\n8.304038 6.040932 0.000000\n-8.304038 6.040932 0.000000\n0.000000 5.643710 6.052627\nLi Mn O\n7 17 32\ndirect\n0.937735 0.562653 0.501723 Li\n0.810834 0.189166 0.000000 Li\n0.684830 0.807839 0.003581 Li\n0.564222 0.435778 0.500000 Li\n0.437347 0.062265 0.498277 Li\n0.192161 0.315170 0.996419 Li\n0.061511 0.938489 0.500000 Li\n0.869699 0.868662 0.255159 Mn\n0.000529 0.754838 0.995353 Mn\n0.001957 0.253592 0.495723 Mn\n0.626516 0.126474 0.748453 Mn\n0.746408 0.998043 0.504277 Mn\n0.873526 0.373484 0.251547 Mn\n0.751919 0.501039 0.998869 Mn\n0.381587 0.377801 0.247041 Mn\n0.498961 0.248081 0.001131 Mn\n0.622199 0.618413 0.752959 Mn\n0.497078 0.744253 0.502231 Mn\n0.255747 0.502922 0.497769 Mn\n0.123779 0.626198 0.746778 Mn\n0.373802 0.876221 0.253222 Mn\n0.310762 0.689238 0.000000 Mn\n0.245162 0.999471 0.004647 Mn\n0.131338 0.130301 0.744841 Mn\n0.886184 0.870523 0.010434 O\n0.746102 0.009961 0.733926 O\n0.871439 0.359274 0.495419 O\n0.990039 0.253898 0.266074 O\n0.640726 0.128561 0.504581 O\n0.783983 0.523135 0.212807 O\n0.873294 0.388634 0.010557 O\n0.006551 0.745318 0.767017 O\n0.493773 0.261456 0.235333 O\n0.610476 0.598012 0.006268 O\n0.738544 0.506227 0.764667 O\n0.401988 0.389524 0.993732 O\n0.837770 0.850989 0.519463 O\n0.503490 0.736900 0.736473 O\n0.612688 0.626495 0.522805 O\n0.725610 0.961850 0.291039 O\n0.265646 0.526593 0.715784 O\n0.381549 0.861033 0.490930 O\n0.473407 0.734354 0.284216 O\n0.138967 0.618451 0.509070 O\n0.611366 0.126706 0.989443 O\n0.254682 0.993449 0.232983 O\n0.374216 0.891306 0.006060 O\n0.476865 0.216017 0.787193 O\n0.016670 0.777571 0.214562 O\n0.129477 0.113816 0.989566 O\n0.222429 0.983330 0.785438 O\n0.373505 0.387312 0.477195 O\n0.038150 0.274390 0.708961 O\n0.149011 0.162230 0.480537 O\n0.263100 0.496510 0.263527 O\n0.108694 0.625784 0.993940 O\n",
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"formula_full": "Li7 Mn17 O32",
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},
{
"id": "mp-1191373",
"created_at": "2022-09-04T14:47:26.151497Z",
"structure_string": "Mg1 Mn2 As2 Pb2 O18\n1.0\n5.116038 0.000000 0.000000\n-0.365010 5.302347 0.000000\n-2.369483 -2.407495 12.462268\nMg Mn As Pb O\n1 2 2 2 18\ndirect\n0.000000 0.500000 0.000000 Mg\n0.469992 0.225071 0.451727 Mn\n0.530008 0.774929 0.548273 Mn\n0.872365 0.113599 0.279937 As\n0.127635 0.886401 0.720063 As\n0.661802 0.347994 0.720987 Pb\n0.338198 0.652006 0.279013 Pb\n0.151148 0.014335 0.361196 O\n0.848852 0.985665 0.638804 O\n0.654244 0.315190 0.339013 O\n0.345756 0.684810 0.660987 O\n0.370502 0.093915 0.568249 O\n0.629498 0.906085 0.431751 O\n0.287314 0.529903 0.437243 O\n0.712686 0.470097 0.562757 O\n0.829320 0.276513 0.869216 O\n0.170680 0.723487 0.130784 O\n0.664218 0.760254 0.969239 O\n0.335782 0.239746 0.030761 O\n0.583823 0.281129 0.050033 O\n0.416177 0.718871 0.949967 O\n0.016474 0.299307 0.205767 O\n0.983526 0.700693 0.794233 O\n0.697110 0.826567 0.217764 O\n0.302890 0.173433 0.782236 O\n",
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"formula_full": "Mg1 Mn2 As2 Pb2 O18",
"formula_reduced": "MgMn2As2(PbO9)2",
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{
"id": "mp-1216109",
"created_at": "2022-09-04T14:47:26.135551Z",
"structure_string": "Zr3 Nb1 Cr4 F24\n1.0\n0.011959 0.000000 -5.949268\n0.000000 -8.211426 0.000000\n-11.867355 0.000000 0.023896\nZr Nb Cr F\n3 1 4 24\ndirect\n0.231736 0.750000 0.625761 Zr\n0.732342 0.250000 0.875122 Zr\n0.767327 0.250000 0.373771 Zr\n0.268867 0.750000 0.125072 Nb\n0.749022 0.750000 0.375480 Cr\n0.748661 0.750000 0.877386 Cr\n0.248411 0.250000 0.624652 Cr\n0.252333 0.250000 0.124678 Cr\n0.468758 0.750000 0.746862 F\n0.040762 0.750000 0.241086 F\n0.531661 0.250000 0.253588 F\n0.967451 0.250000 0.754531 F\n0.466468 0.750000 0.504395 F\n0.030648 0.750000 0.004397 F\n0.532970 0.250000 0.495482 F\n0.966886 0.250000 0.996231 F\n0.765506 0.500451 0.374119 F\n0.734690 0.998591 0.875287 F\n0.234838 0.000068 0.625273 F\n0.265284 0.500282 0.124893 F\n0.234838 0.499932 0.625273 F\n0.265284 0.999718 0.124893 F\n0.765506 0.999549 0.374119 F\n0.734690 0.501409 0.875287 F\n0.982514 0.750000 0.502920 F\n0.509218 0.750000 0.008633 F\n0.017216 0.250000 0.496157 F\n0.483564 0.250000 0.995542 F\n0.984274 0.750000 0.747428 F\n0.519194 0.750000 0.247510 F\n0.015893 0.250000 0.252242 F\n0.483190 0.250000 0.751933 F\n",
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{
"id": "mp-1004528",
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"structure_string": "Cs1 B3 Pb1 F12\n1.0\n5.063400 4.675419 0.000000\n-5.063400 4.675419 0.000000\n0.000000 0.146345 6.863776\nCs B Pb F\n1 3 1 12\ndirect\n0.521502 0.521502 0.409274 Cs\n0.991782 0.991782 0.487835 B\n0.493545 0.022758 0.020318 B\n0.022758 0.493545 0.020318 B\n0.951525 0.951525 0.934890 Pb\n0.162783 0.936436 0.578800 F\n0.936436 0.162783 0.578800 F\n0.841234 0.841234 0.519006 F\n0.027617 0.027617 0.285916 F\n0.617617 0.898302 0.124156 F\n0.476822 0.193152 0.122254 F\n0.307631 0.918035 0.001814 F\n0.580528 0.058731 0.834181 F\n0.193152 0.476822 0.122254 F\n0.898302 0.617617 0.124156 F\n0.918035 0.307631 0.001814 F\n0.058731 0.580528 0.834181 F\n",
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],
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"density": 3.0684580338604057,
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"formula_full": "Cs1 B3 Pb1 F12",
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}
]
}