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{
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{
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"spacegroup": 194
},
{
"id": "mp-1106359",
"created_at": "2022-09-04T14:40:33.042289Z",
"structure_string": "Li10 Cl6 O2\n1.0\n-3.522245 3.522245 5.907831\n3.522245 -3.522245 5.907831\n3.522245 3.522245 -5.907831\nLi Cl O\n10 6 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.802215 0.302215 0.785228 Li\n0.516988 0.016988 0.214772 Li\n0.302215 0.516988 0.500000 Li\n0.016988 0.802215 0.500000 Li\n0.197785 0.697785 0.214772 Li\n0.483012 0.983012 0.785228 Li\n0.697785 0.483012 0.500000 Li\n0.983012 0.197785 0.500000 Li\n0.750000 0.750000 0.000000 Cl\n0.250000 0.250000 0.000000 Cl\n0.208526 0.708526 0.917053 Cl\n0.791474 0.291474 0.082947 Cl\n0.708526 0.791474 0.500000 Cl\n0.291474 0.208526 0.500000 Cl\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"elements": [
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"volume": 293.1751643416189,
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"formula_full": "Li10 Cl6 O2",
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"spacegroup": 140
},
{
"id": "mp-1096718",
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{
"id": "mp-753403",
"created_at": "2022-09-04T14:40:11.388097Z",
"structure_string": "Li2 Cu4 C4 O12\n1.0\n5.674067 0.000000 0.000000\n-0.116068 6.389026 0.000000\n-0.916081 -0.354329 7.583354\nLi Cu C O\n2 4 4 12\ndirect\n0.054911 0.751815 0.200309 Li\n0.945089 0.248185 0.799691 Li\n0.307656 0.055415 0.020209 Cu\n0.217683 0.541862 0.501557 Cu\n0.782317 0.458138 0.498443 Cu\n0.692344 0.944585 0.979791 Cu\n0.023938 0.666087 0.802556 C\n0.458798 0.177851 0.703993 C\n0.541202 0.822149 0.296007 C\n0.976062 0.333913 0.197444 C\n0.006784 0.786230 0.941232 O\n0.274731 0.167513 0.790113 O\n0.215759 0.671669 0.729089 O\n0.155679 0.460561 0.255462 O\n0.456017 0.282548 0.565474 O\n0.347466 0.919400 0.238105 O\n0.652534 0.080600 0.761895 O\n0.543983 0.717452 0.434526 O\n0.844321 0.539439 0.744538 O\n0.784241 0.328331 0.270911 O\n0.725269 0.832487 0.209887 O\n0.993216 0.213770 0.058768 O\n",
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"formula_full": "Li2 Cu4 C4 O12",
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{
"id": "mp-27583",
"created_at": "2022-09-04T14:40:55.745676Z",
"structure_string": "Sr4 P12 O34\n1.0\n13.533605 0.000000 0.000000\n0.000000 7.306377 0.000000\n0.000000 1.947253 7.083566\nSr P O\n4 12 34\ndirect\n0.217511 0.185354 0.125398 Sr\n0.717511 0.814646 0.874602 Sr\n0.000385 0.783248 0.175797 Sr\n0.500385 0.216752 0.824203 Sr\n0.249013 0.329561 0.617274 P\n0.749013 0.670439 0.382726 P\n0.035113 0.342598 0.616891 P\n0.535113 0.657402 0.383109 P\n0.936912 0.989782 0.599349 P\n0.436912 0.010218 0.400651 P\n0.757232 0.238513 0.472062 P\n0.257232 0.761487 0.527938 P\n0.728911 0.266165 0.049291 P\n0.228911 0.733835 0.950709 P\n0.950223 0.319515 0.000814 P\n0.450223 0.680485 0.999186 P\n0.311880 0.251253 0.788141 O\n0.811880 0.748747 0.211859 O\n0.238454 0.237453 0.461333 O\n0.738454 0.762547 0.538667 O\n0.140051 0.352613 0.712478 O\n0.640051 0.647387 0.287522 O\n0.023108 0.480978 0.432438 O\n0.523108 0.519022 0.567562 O\n0.030650 0.127643 0.611183 O\n0.530650 0.872357 0.388817 O\n0.968524 0.861797 0.484836 O\n0.468524 0.138203 0.515164 O\n0.895007 0.920371 0.794370 O\n0.395007 0.079629 0.205630 O\n0.863634 0.153094 0.467303 O\n0.363634 0.846906 0.532697 O\n0.457062 0.632097 0.232714 O\n0.957062 0.367903 0.767286 O\n0.525271 0.832060 0.917326 O\n0.025271 0.167940 0.082674 O\n0.448020 0.495176 0.952936 O\n0.948020 0.504824 0.047064 O\n0.343879 0.788116 0.964499 O\n0.843879 0.211884 0.035501 O\n0.167860 0.891192 0.988251 O\n0.667860 0.108808 0.011749 O\n0.206916 0.534103 0.055245 O\n0.706916 0.465897 0.944755 O\n0.212195 0.753116 0.725506 O\n0.712195 0.246884 0.274494 O\n0.279471 0.550278 0.524099 O\n0.779471 0.449722 0.475901 O\n0.192918 0.861356 0.370509 O\n0.692918 0.138644 0.629491 O\n",
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"formula_full": "Sr4 P12 O34",
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{
"id": "mp-1174298",
"created_at": "2022-09-04T14:40:26.376367Z",
"structure_string": "Li8 Co6 O14\n1.0\n-2.872523 0.000000 0.000000\n-0.141468 -8.319792 0.000000\n1.070599 2.138876 10.265923\nLi Co O\n8 6 14\ndirect\n0.284004 0.144112 0.569696 Li\n0.568191 0.300427 0.137744 Li\n0.869657 0.425784 0.720231 Li\n0.715996 0.855888 0.430304 Li\n0.000000 0.000000 0.000000 Li\n0.130343 0.574216 0.279769 Li\n0.431809 0.699573 0.862256 Li\n0.000000 0.500000 0.000000 Li\n0.425575 0.225482 0.860682 Co\n0.574425 0.774518 0.139318 Co\n0.712450 0.357267 0.425314 Co\n0.287550 0.642733 0.574686 Co\n0.861013 0.932485 0.717546 Co\n0.138987 0.067515 0.282454 Co\n0.875996 0.180847 0.731757 O\n0.122817 0.317464 0.288317 O\n0.429571 0.439633 0.856092 O\n0.275590 0.895286 0.582126 O\n0.557558 0.018950 0.148890 O\n0.702734 0.608803 0.440052 O\n0.015559 0.754931 0.016887 O\n0.724410 0.104714 0.417874 O\n0.984441 0.245069 0.983113 O\n0.297266 0.391197 0.559948 O\n0.124004 0.819153 0.268243 O\n0.442442 0.981050 0.851110 O\n0.570429 0.560367 0.143908 O\n0.877183 0.682536 0.711683 O\n",
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"formula_full": "Li8 Co6 O14",
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{
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"structure_string": "Y2 Ti2 Si2\n1.0\n4.037166 0.000000 0.000000\n0.000000 4.037166 0.000000\n0.000000 0.000000 7.595139\nY Ti Si\n2 2 2\ndirect\n0.000000 0.500000 0.344301 Y\n0.500000 0.000000 0.655699 Y\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.763440 Si\n0.500000 0.000000 0.236560 Si\n",
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{
"id": "mp-1192353",
"created_at": "2022-09-04T14:40:08.592805Z",
"structure_string": "Sr4 Fe2 Cu2 Pb4 O12\n1.0\n5.556518 0.000000 0.000000\n0.000000 5.589966 0.000000\n0.000000 0.000000 12.441222\nSr Fe Cu Pb O\n4 2 2 4 12\ndirect\n0.745259 0.750627 0.358621 Sr\n0.745259 0.750627 0.641379 Sr\n0.245259 0.249373 0.641379 Sr\n0.245259 0.249373 0.358621 Sr\n0.746982 0.251052 0.500000 Fe\n0.246982 0.748948 0.500000 Fe\n0.708060 0.792785 0.000000 Cu\n0.208060 0.207215 0.000000 Cu\n0.753652 0.239278 0.148832 Pb\n0.753652 0.239278 0.851168 Pb\n0.253652 0.760722 0.851168 Pb\n0.253652 0.760722 0.148832 Pb\n0.694249 0.811290 0.148935 O\n0.694249 0.811290 0.851065 O\n0.194249 0.188710 0.851065 O\n0.194249 0.188710 0.148935 O\n0.745544 0.253983 0.325099 O\n0.745544 0.253983 0.674901 O\n0.245544 0.746017 0.674901 O\n0.245544 0.746017 0.325099 O\n0.497649 0.999651 0.500000 O\n0.997649 0.000349 0.500000 O\n0.997901 0.499307 0.500000 O\n0.497901 0.500693 0.500000 O\n",
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{
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"structure_string": "Cu18 Se10\n1.0\n7.020977 0.000000 0.000000\n2.333178 7.770979 0.000000\n2.348153 1.409573 8.664732\nCu Se\n18 10\ndirect\n0.049305 0.451361 0.149390 Cu\n0.049428 0.949508 0.149436 Cu\n0.950572 0.050492 0.850564 Cu\n0.150442 0.350261 0.450692 Cu\n0.950695 0.548639 0.850610 Cu\n0.445960 0.551591 0.349136 Cu\n0.348957 0.650883 0.046213 Cu\n0.254098 0.749529 0.747085 Cu\n0.649474 0.849813 0.951125 Cu\n0.150904 0.849010 0.449672 Cu\n0.548994 0.950401 0.649926 Cu\n0.451006 0.049599 0.350074 Cu\n0.350526 0.150187 0.048875 Cu\n0.849096 0.150990 0.550328 Cu\n0.651043 0.349117 0.953787 Cu\n0.554040 0.448409 0.650864 Cu\n0.849558 0.649739 0.549308 Cu\n0.745902 0.250471 0.252915 Cu\n0.899423 0.850191 0.700129 Se\n0.904627 0.348830 0.699765 Se\n0.095373 0.651170 0.300235 Se\n0.299220 0.954471 0.898733 Se\n0.100577 0.149809 0.299871 Se\n0.496820 0.249672 0.503083 Se\n0.297997 0.447153 0.898387 Se\n0.702003 0.552847 0.101613 Se\n0.503180 0.750328 0.496917 Se\n0.700780 0.045529 0.101267 Se\n",
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{
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{
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"structure_string": "H64 C24 Se8 N16\n1.0\n6.350704 0.000000 0.000000\n0.000000 12.090546 0.000000\n0.000000 0.000000 15.336592\nH C Se N\n64 24 8 16\ndirect\n0.200253 0.554337 0.890563 H\n0.778351 0.473876 0.700750 H\n0.278351 0.473876 0.799250 H\n0.576966 0.573954 0.713871 H\n0.132903 0.116391 0.591083 H\n0.924994 0.255508 0.845870 H\n0.651885 0.565114 0.965851 H\n0.803555 0.712260 0.137430 H\n0.921201 0.808915 0.743266 H\n0.778351 0.026124 0.200750 H\n0.423034 0.073954 0.786129 H\n0.799747 0.054337 0.609437 H\n0.575006 0.755508 0.845870 H\n0.367097 0.616391 0.591083 H\n0.578799 0.308915 0.743266 H\n0.299747 0.445663 0.390563 H\n0.151885 0.565114 0.534149 H\n0.799747 0.445663 0.109437 H\n0.221649 0.973876 0.799250 H\n0.421201 0.808915 0.756734 H\n0.923034 0.073954 0.713871 H\n0.632903 0.383609 0.408917 H\n0.721649 0.973876 0.700750 H\n0.696445 0.287740 0.637430 H\n0.923034 0.426046 0.213871 H\n0.867097 0.616391 0.908917 H\n0.132903 0.383609 0.091083 H\n0.348115 0.434886 0.034149 H\n0.075006 0.755508 0.654130 H\n0.078799 0.308915 0.756734 H\n0.424994 0.255508 0.654130 H\n0.424994 0.244492 0.154130 H\n0.421201 0.691085 0.256734 H\n0.867097 0.883609 0.408917 H\n0.076966 0.926046 0.286129 H\n0.278351 0.026124 0.299250 H\n0.921201 0.691085 0.243266 H\n0.200253 0.945663 0.390563 H\n0.848115 0.065114 0.965851 H\n0.303555 0.787740 0.862570 H\n0.578799 0.191085 0.243266 H\n0.575006 0.744492 0.345870 H\n0.651885 0.934886 0.465851 H\n0.700253 0.945663 0.109437 H\n0.576966 0.926046 0.213871 H\n0.696445 0.212260 0.137430 H\n0.221649 0.526124 0.299250 H\n0.196445 0.287740 0.862570 H\n0.299747 0.054337 0.890563 H\n0.721649 0.526124 0.200750 H\n0.075006 0.744492 0.154130 H\n0.078799 0.191085 0.256734 H\n0.196445 0.212260 0.362570 H\n0.076966 0.573954 0.786129 H\n0.700253 0.554337 0.609437 H\n0.423034 0.426046 0.286129 H\n0.924994 0.244492 0.345870 H\n0.632903 0.116391 0.908917 H\n0.151885 0.934886 0.034149 H\n0.848115 0.434886 0.465851 H\n0.367097 0.883609 0.091083 H\n0.348115 0.065114 0.534149 H\n0.803555 0.787740 0.637430 H\n0.303555 0.712260 0.362570 H\n0.642963 0.987799 0.168586 C\n0.820657 0.054859 0.402412 C\n0.447926 0.687749 0.327729 C\n0.679343 0.945141 0.902412 C\n0.142963 0.512201 0.831414 C\n0.857037 0.012201 0.668586 C\n0.320657 0.054859 0.097588 C\n0.357037 0.012201 0.831414 C\n0.642963 0.512201 0.668586 C\n0.857037 0.487799 0.168586 C\n0.552074 0.312251 0.672271 C\n0.679343 0.554859 0.402412 C\n0.947926 0.687749 0.172271 C\n0.447926 0.812251 0.827729 C\n0.179343 0.554859 0.097588 C\n0.357037 0.487799 0.331414 C\n0.052074 0.187749 0.327729 C\n0.552074 0.187749 0.172271 C\n0.320657 0.445141 0.597588 C\n0.179343 0.945141 0.597588 C\n0.142963 0.987799 0.331414 C\n0.947926 0.812251 0.672271 C\n0.052074 0.312251 0.827729 C\n0.820657 0.445141 0.902412 C\n0.367607 0.836320 0.556192 Se\n0.632393 0.163680 0.443808 Se\n0.132393 0.336320 0.556192 Se\n0.867607 0.836320 0.943808 Se\n0.632393 0.336320 0.943808 Se\n0.132393 0.163680 0.056192 Se\n0.867607 0.663680 0.443808 Se\n0.367607 0.663680 0.056192 Se\n0.777117 0.950207 0.424871 N\n0.007944 0.575598 0.147048 N\n0.492056 0.424402 0.647048 N\n0.992056 0.424402 0.852952 N\n0.277117 0.950207 0.075129 N\n0.992056 0.075598 0.352952 N\n0.007944 0.924402 0.647048 N\n0.277117 0.549793 0.575129 N\n0.507944 0.924402 0.852952 N\n0.722883 0.049793 0.924871 N\n0.722883 0.450207 0.424871 N\n0.507944 0.575598 0.352952 N\n0.222883 0.450207 0.075129 N\n0.777117 0.549793 0.924871 N\n0.492056 0.075598 0.147048 N\n0.222883 0.049793 0.575129 N\n",
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],
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}
]
}