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{
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{
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{
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"structure_string": "Li10 Ni6 Sn4 O20\n1.0\n-1.112956 5.107486 -0.149285\n-6.850533 -2.850418 7.270444\n2.452506 2.538549 7.307968\nLi Ni Sn O\n10 6 4 20\ndirect\n0.999928 0.000045 0.500026 Li\n0.499927 0.500042 0.999992 Li\n0.599075 0.088219 0.312846 Li\n0.099003 0.588195 0.812908 Li\n0.400983 0.911901 0.687023 Li\n0.900940 0.411880 0.187061 Li\n0.690533 0.189687 0.606709 Li\n0.190575 0.689691 0.106677 Li\n0.309432 0.810400 0.393300 Li\n0.809465 0.310405 0.893263 Li\n0.000446 0.500035 0.500102 Ni\n0.096247 0.099743 0.800158 Ni\n0.903372 0.899776 0.200185 Ni\n0.500082 0.000011 0.999962 Ni\n0.596352 0.599907 0.300031 Ni\n0.403789 0.400086 0.699762 Ni\n0.306220 0.297138 0.401781 Sn\n0.806226 0.797151 0.901800 Sn\n0.693687 0.702759 0.598233 Sn\n0.193710 0.202776 0.098192 Sn\n0.637746 0.402442 0.454130 O\n0.137664 0.902422 0.954275 O\n0.362363 0.597568 0.545738 O\n0.862313 0.097527 0.045882 O\n0.061219 0.305529 0.640991 O\n0.561186 0.805522 0.141014 O\n0.938842 0.694447 0.359050 O\n0.438842 0.194434 0.859050 O\n0.968231 0.202128 0.343440 O\n0.468240 0.702127 0.843445 O\n0.031700 0.797929 0.656481 O\n0.531730 0.297921 0.156482 O\n0.259794 0.002102 0.225655 O\n0.759846 0.502087 0.725589 O\n0.740152 0.997951 0.774475 O\n0.240218 0.497939 0.274408 O\n0.337167 0.102961 0.560457 O\n0.837250 0.602989 0.060352 O\n0.662696 0.897052 0.439608 O\n0.162810 0.397079 0.939469 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Li10 Ni6 Sn4 O20",
"formula_reduced": "Li5Ni3(SnO5)2",
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{
"id": "mp-1024045",
"created_at": "2022-09-04T14:41:46.081067Z",
"structure_string": "Mg3 Zn1 O4\n1.0\n4.280078 0.000000 0.000000\n0.000000 4.280078 0.000000\n0.000000 0.000000 4.280078\nMg Zn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"formula_full": "Mg3 Zn1 O4",
"formula_reduced": "Mg3ZnO4",
"formula_anonymous": "AB3C4",
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"updated_at": "2021-11-28T01:35:21.495000Z",
"spacegroup": 221
},
{
"id": "mp-1045504",
"created_at": "2022-09-04T14:40:00.799647Z",
"structure_string": "Al2 Ni4 O8\n1.0\n5.120527 0.004102 -2.694447\n-1.405615 4.925864 -2.690915\n-0.236025 -0.313449 5.781003\nAl Ni O\n2 4 8\ndirect\n0.000011 0.500006 0.000007 Al\n0.000004 0.000004 0.500011 Al\n0.371163 0.621187 0.749992 Ni\n0.628867 0.378817 0.250027 Ni\n0.499995 0.000010 0.499997 Ni\n0.000001 0.999982 0.999978 Ni\n0.767113 0.773968 0.508439 O\n0.765534 0.258667 0.991543 O\n0.223194 0.248165 0.973640 O\n0.232864 0.226037 0.491550 O\n0.225430 0.750458 0.473601 O\n0.234452 0.741325 0.008432 O\n0.774552 0.249531 0.526408 O\n0.776819 0.751848 0.026376 O\n",
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"formula_full": "Al2 Ni4 O8",
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{
"id": "mp-625274",
"created_at": "2022-09-04T14:39:44.803880Z",
"structure_string": "H20 I4 O24\n1.0\n18.464062 0.000000 0.000000\n0.000000 4.921963 0.000000\n0.000000 1.914683 5.176516\nH I O\n20 4 24\ndirect\n0.545465 0.638579 0.022093 H\n0.993006 0.954635 0.348413 H\n0.493006 0.045365 0.651587 H\n0.045465 0.361421 0.977907 H\n0.609630 0.196538 0.488372 H\n0.979876 0.589957 0.089462 H\n0.479876 0.410043 0.910538 H\n0.109630 0.803462 0.511628 H\n0.965264 0.355887 0.602652 H\n0.465264 0.644113 0.397348 H\n0.690244 0.789146 0.889064 H\n0.800197 0.335544 0.353965 H\n0.300197 0.664456 0.646035 H\n0.190244 0.210854 0.110936 H\n0.864127 0.758477 0.840281 H\n0.364127 0.241523 0.159719 H\n0.706944 0.491959 0.664579 H\n0.773230 0.994977 0.115783 H\n0.273230 0.005023 0.884217 H\n0.206944 0.508041 0.335421 H\n0.615715 0.172325 0.973801 I\n0.872295 0.738022 0.405329 I\n0.372295 0.261978 0.594671 I\n0.115715 0.827675 0.026199 I\n0.534904 0.460868 0.952584 O\n0.944825 0.020727 0.393736 O\n0.444825 0.979273 0.606264 O\n0.034904 0.539132 0.047416 O\n0.575110 0.185314 0.647025 O\n0.909538 0.659463 0.125236 O\n0.409538 0.340537 0.874764 O\n0.075110 0.814686 0.352975 O\n0.557837 0.855506 0.128271 O\n0.923618 0.434268 0.668448 O\n0.423618 0.565732 0.331552 O\n0.057837 0.144494 0.871729 O\n0.701792 0.970894 0.929134 O\n0.788570 0.492381 0.425020 O\n0.288570 0.507619 0.574980 O\n0.201792 0.029106 0.070866 O\n0.650507 0.215356 0.265780 O\n0.829815 0.814920 0.688409 O\n0.329815 0.185080 0.311591 O\n0.150507 0.784644 0.734220 O\n0.669449 0.530800 0.777523 O\n0.815913 0.061640 0.194078 O\n0.315913 0.938360 0.805922 O\n0.169449 0.469200 0.222477 O\n",
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{
"id": "mp-1370295",
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"structure_string": "Li5 Ti2 Mn3 O10\n1.0\n5.240435 0.000000 0.000000\n-1.067166 5.182100 0.000000\n-1.520386 -2.796557 7.218029\nLi Ti Mn O\n5 2 3 10\ndirect\n0.217555 0.495177 0.399605 Li\n0.392638 0.509866 0.784503 Li\n0.505131 0.988843 0.506137 Li\n0.785488 0.500550 0.603752 Li\n0.605272 0.485539 0.221294 Li\n0.099535 0.029040 0.688186 Ti\n0.901146 0.969285 0.314381 Ti\n0.997662 0.500066 0.000740 Mn\n0.687225 0.990433 0.895190 Mn\n0.311489 0.008350 0.107684 Mn\n0.050484 0.232482 0.833215 O\n0.134879 0.785748 0.542205 O\n0.316007 0.751866 0.935241 O\n0.217166 0.261200 0.234524 O\n0.424974 0.234352 0.652744 O\n0.574539 0.763035 0.349544 O\n0.778192 0.738164 0.765620 O\n0.680089 0.247474 0.065930 O\n0.864734 0.211066 0.459636 O\n0.947513 0.766415 0.167784 O\n",
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"formula_full": "Li5 Ti2 Mn3 O10",
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{
"id": "mp-1039875",
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"structure_string": "Mg30 Cr1 Si1 O32\n1.0\n8.573820 0.000000 0.000000\n0.000000 8.573820 0.000000\n0.000000 0.000000 8.532754\nMg Cr Si O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253308 0.000000 0.251432 Mg\n0.253308 0.000000 0.748568 Mg\n0.746692 0.000000 0.251432 Mg\n0.746692 0.000000 0.748568 Mg\n0.250286 0.500000 0.250439 Mg\n0.250286 0.500000 0.749561 Mg\n0.749714 0.500000 0.250439 Mg\n0.749714 0.500000 0.749561 Mg\n0.000000 0.253308 0.251432 Mg\n0.000000 0.253308 0.748568 Mg\n0.500000 0.250286 0.250439 Mg\n0.500000 0.250286 0.749561 Mg\n0.000000 0.746692 0.251432 Mg\n0.000000 0.746692 0.748568 Mg\n0.500000 0.749714 0.250439 Mg\n0.500000 0.749714 0.749561 Mg\n0.251538 0.251538 0.000000 Mg\n0.250475 0.250475 0.500000 Mg\n0.748462 0.251538 0.000000 Mg\n0.749525 0.250475 0.500000 Mg\n0.251538 0.748462 0.000000 Mg\n0.250475 0.749525 0.500000 Mg\n0.748462 0.748462 0.000000 Mg\n0.749525 0.749525 0.500000 Mg\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Si\n0.000000 0.259267 0.000000 O\n0.000000 0.259962 0.500000 O\n0.500000 0.251397 0.000000 O\n0.500000 0.251472 0.500000 O\n0.000000 0.740733 0.000000 O\n0.000000 0.740038 0.500000 O\n0.500000 0.748603 0.000000 O\n0.500000 0.748528 0.500000 O\n0.249280 0.249280 0.249703 O\n0.249280 0.249280 0.750297 O\n0.750720 0.249280 0.249703 O\n0.750720 0.249280 0.750297 O\n0.249280 0.750720 0.249703 O\n0.249280 0.750720 0.750297 O\n0.750720 0.750720 0.249703 O\n0.750720 0.750720 0.750297 O\n0.000000 0.000000 0.257771 O\n0.000000 0.000000 0.742229 O\n0.500000 0.000000 0.249870 O\n0.500000 0.000000 0.750130 O\n0.000000 0.500000 0.249870 O\n0.000000 0.500000 0.750130 O\n0.500000 0.500000 0.250010 O\n0.500000 0.500000 0.749990 O\n0.259267 0.000000 0.000000 O\n0.259962 0.000000 0.500000 O\n0.740733 0.000000 0.000000 O\n0.740038 0.000000 0.500000 O\n0.251397 0.500000 0.000000 O\n0.251472 0.500000 0.500000 O\n0.748603 0.500000 0.000000 O\n0.748528 0.500000 0.500000 O\n",
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{
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"structure_string": "B20 Ir4 W5\n1.0\n1.479204 -2.562056 0.000000\n1.479204 2.562056 0.000000\n0.000000 0.000000 37.497812\nB Ir W\n20 4 5\ndirect\n0.333333 0.666667 0.141365 B\n0.333333 0.666667 0.944659 B\n0.333333 0.666667 0.740982 B\n0.333333 0.666667 0.541171 B\n0.333333 0.666667 0.341119 B\n0.000000 0.000000 0.956665 B\n0.000000 0.000000 0.759515 B\n0.000000 0.000000 0.559106 B\n0.000000 0.000000 0.359452 B\n0.000000 0.000000 0.158612 B\n0.000000 0.000000 0.043335 B\n0.000000 0.000000 0.841388 B\n0.000000 0.000000 0.640548 B\n0.000000 0.000000 0.440894 B\n0.000000 0.000000 0.240485 B\n0.333333 0.666667 0.055341 B\n0.333333 0.666667 0.858635 B\n0.333333 0.666667 0.658881 B\n0.333333 0.666667 0.458829 B\n0.333333 0.666667 0.259018 B\n0.333333 0.666667 0.799615 Ir\n0.333333 0.666667 0.600122 Ir\n0.333333 0.666667 0.399878 Ir\n0.333333 0.666667 0.200385 Ir\n0.000000 0.000000 0.100101 W\n0.000000 0.000000 0.899899 W\n0.000000 0.000000 0.700028 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.299972 W\n",
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{
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{
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}
]
}