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{
"id": "mp-1207563",
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{
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"formula_full": "La1 Mg2 Mn3 S8",
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{
"id": "mp-1028276",
"created_at": "2022-09-04T14:48:31.013304Z",
"structure_string": "K1 Mg14 Sn1\n1.0\n6.480838 0.000000 0.000000\n-3.240419 5.612570 -0.000000\n-0.000000 0.000000 10.861056\nK Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.163636 0.831817 0.125000 Mg\n0.173214 0.836606 0.625000 Mg\n0.668183 0.336364 0.125000 Mg\n0.663394 0.326786 0.625000 Mg\n0.668183 0.831817 0.125000 Mg\n0.663394 0.836606 0.625000 Mg\n0.336762 0.163238 0.367073 Mg\n0.336762 0.163238 0.882927 Mg\n0.336762 0.673526 0.367073 Mg\n0.336762 0.673526 0.882927 Mg\n0.826474 0.163238 0.367073 Mg\n0.826474 0.163238 0.882927 Mg\n0.833333 0.666667 0.381509 Mg\n0.833333 0.666667 0.868491 Mg\n0.166667 0.333333 0.125000 Sn\n",
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"formula_full": "K1 Mg14 Sn1",
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{
"id": "mp-1305541",
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"structure_string": "Li6 Ti2 Ni6 O16\n1.0\n5.082577 -1.502305 2.474110\n0.044853 3.139016 -4.970112\n-3.217426 8.153214 4.851195\nLi Ti Ni O\n6 2 6 16\ndirect\n0.500056 0.250062 0.750043 Li\n0.499828 0.749819 0.249942 Li\n0.507381 0.001723 0.502737 Li\n0.492609 0.498289 0.997257 Li\n0.499964 0.250012 0.249887 Li\n0.499919 0.749935 0.750146 Li\n0.987043 0.983611 0.995586 Ti\n0.012903 0.516353 0.504413 Ti\n0.999863 0.749847 0.250005 Ni\n0.000182 0.250152 0.749998 Ni\n0.000138 0.750094 0.750080 Ni\n0.000619 0.002722 0.499616 Ni\n0.999510 0.497372 0.000346 Ni\n0.999954 0.249925 0.249964 Ni\n0.234831 0.858223 0.615030 O\n0.214615 0.346208 0.124483 O\n0.764986 0.642154 0.884871 O\n0.785549 0.153529 0.375627 O\n0.201553 0.086550 0.356976 O\n0.208418 0.578499 0.864147 O\n0.798162 0.413230 0.143098 O\n0.791945 0.921649 0.635707 O\n0.219866 0.128273 0.871524 O\n0.226828 0.634722 0.369242 O\n0.223592 0.370174 0.629886 O\n0.220423 0.867892 0.128912 O\n0.776633 0.130098 0.870042 O\n0.779345 0.631851 0.371144 O\n0.780351 0.371861 0.628537 O\n0.772937 0.865172 0.130754 O\n",
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"formula_full": "Li6 Ti2 Ni6 O16",
"formula_reduced": "Li3TiNi3O8",
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{
"id": "mp-1041927",
"created_at": "2022-09-04T14:48:30.765107Z",
"structure_string": "Ca2 Co4 O8\n1.0\n-3.073271 3.113610 4.375052\n3.073271 -3.113610 4.375052\n3.073271 3.113610 -4.375052\nCa Co O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.135876 0.885876 0.250000 Co\n0.864124 0.114124 0.750000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.726278 0.210358 0.984080 O\n0.728049 0.239278 0.488771 O\n0.726278 0.742199 0.515920 O\n0.250507 0.239278 0.011229 O\n0.749493 0.760722 0.988771 O\n0.271951 0.760722 0.511229 O\n0.273722 0.257801 0.484080 O\n0.273722 0.789642 0.015920 O\n",
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"formula_full": "Ca2 Co4 O8",
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{
"id": "mp-561465",
"created_at": "2022-09-04T14:48:30.772970Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n2.701521 -4.679171 0.000000\n2.701521 4.679171 0.000000\n0.000000 0.000000 16.243782\nTl Sb O\n4 4 12\ndirect\n0.666667 0.333333 0.945347 Tl\n0.666667 0.333333 0.554653 Tl\n0.333333 0.666667 0.445347 Tl\n0.333333 0.666667 0.054653 Tl\n0.333333 0.666667 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.336113 0.064148 0.822314 O\n0.935852 0.271965 0.822314 O\n0.935852 0.663887 0.677686 O\n0.663887 0.728035 0.177686 O\n0.064148 0.336113 0.177686 O\n0.064148 0.728035 0.322314 O\n0.336113 0.271965 0.677686 O\n0.728035 0.064148 0.677686 O\n0.728035 0.663887 0.822314 O\n0.271965 0.935852 0.177686 O\n0.271965 0.336113 0.322314 O\n0.663887 0.935852 0.322314 O\n",
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{
"id": "mp-1202621",
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"structure_string": "K12 B4 P12 H12 O48\n1.0\n3.795863 12.702424 0.000000\n-3.795863 12.702424 0.000000\n0.000000 6.959964 12.615178\nK B P H O\n12 4 12 12 48\ndirect\n0.725690 0.739089 0.588365 K\n0.260911 0.274310 0.911635 K\n0.274310 0.260911 0.411635 K\n0.739089 0.725690 0.088365 K\n0.998822 0.904526 0.155325 K\n0.095474 0.001178 0.344675 K\n0.001178 0.095474 0.844675 K\n0.904526 0.998822 0.655325 K\n0.790839 0.421202 0.038631 K\n0.578798 0.209161 0.461369 K\n0.209161 0.578798 0.961369 K\n0.421202 0.790839 0.538631 K\n0.100499 0.560317 0.660728 B\n0.439683 0.899501 0.839272 B\n0.899501 0.439683 0.339272 B\n0.560317 0.100499 0.160728 B\n0.734228 0.780635 0.311658 P\n0.219365 0.265772 0.188342 P\n0.265772 0.219365 0.688342 P\n0.780635 0.734228 0.811658 P\n0.025505 0.761069 0.458144 P\n0.238931 0.974495 0.041856 P\n0.974495 0.238931 0.541856 P\n0.761069 0.025505 0.958144 P\n0.675104 0.477021 0.304529 P\n0.522979 0.324896 0.195471 P\n0.324896 0.522979 0.695471 P\n0.477021 0.675104 0.804529 P\n0.528320 0.561588 0.965148 H\n0.438412 0.471680 0.534852 H\n0.471680 0.438412 0.034852 H\n0.561588 0.528320 0.465148 H\n0.908938 0.731261 0.366312 H\n0.268739 0.091062 0.133688 H\n0.091062 0.268739 0.633688 H\n0.731261 0.908938 0.866312 H\n0.269666 0.580627 0.334253 H\n0.419373 0.730334 0.165747 H\n0.730334 0.419373 0.665747 H\n0.580627 0.269666 0.834253 H\n0.610962 0.519256 0.897442 O\n0.480744 0.389038 0.602558 O\n0.389038 0.480744 0.102558 O\n0.519256 0.610962 0.397442 O\n0.919591 0.934799 0.991867 O\n0.065201 0.080409 0.508133 O\n0.080409 0.065201 0.008133 O\n0.934799 0.919591 0.491867 O\n0.922565 0.669162 0.327298 O\n0.330838 0.077435 0.172702 O\n0.077435 0.330838 0.672702 O\n0.669162 0.922565 0.827298 O\n0.887705 0.579504 0.900984 O\n0.420496 0.112295 0.599016 O\n0.112295 0.420496 0.099016 O\n0.579504 0.887705 0.400984 O\n0.187511 0.696490 0.360827 O\n0.303510 0.812489 0.139173 O\n0.812489 0.303510 0.639173 O\n0.696490 0.187511 0.860827 O\n0.718247 0.319309 0.337899 O\n0.680691 0.281753 0.162101 O\n0.281753 0.680691 0.662101 O\n0.319309 0.718247 0.837899 O\n0.900042 0.691335 0.697599 O\n0.308665 0.099958 0.802401 O\n0.099958 0.308665 0.302401 O\n0.691335 0.900042 0.197599 O\n0.780678 0.635293 0.294983 O\n0.364707 0.219322 0.205017 O\n0.219322 0.364707 0.705017 O\n0.635293 0.780678 0.794983 O\n0.137297 0.577314 0.544528 O\n0.422686 0.862703 0.955472 O\n0.862703 0.422686 0.455472 O\n0.577314 0.137297 0.044528 O\n0.857993 0.391608 0.301919 O\n0.608392 0.142007 0.198081 O\n0.142007 0.608392 0.698081 O\n0.391608 0.857993 0.801919 O\n0.609497 0.597900 0.701865 O\n0.402100 0.390503 0.798135 O\n0.390503 0.402100 0.298135 O\n0.597900 0.609497 0.201865 O\n0.810898 0.890379 0.926432 O\n0.109621 0.189102 0.573568 O\n0.189102 0.109621 0.073568 O\n0.890379 0.810898 0.426432 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Sr4 Sn2 H16 O16\n1.0\n-5.639505 0.000000 2.419531\n0.057850 0.000000 -6.190150\n0.000000 -11.300405 0.000000\nSr Sn H O\n4 2 16 16\ndirect\n0.726388 0.390055 0.870346 Sr\n0.273612 0.109945 0.370346 Sr\n0.273612 0.609945 0.129654 Sr\n0.726388 0.890055 0.629654 Sr\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.141057 0.726204 0.696936 H\n0.858943 0.773796 0.196936 H\n0.858943 0.273796 0.303064 H\n0.141057 0.226204 0.803064 H\n0.245470 0.327783 0.620973 H\n0.754530 0.172217 0.120973 H\n0.754530 0.672217 0.379027 H\n0.245470 0.827783 0.879027 H\n0.584683 0.313851 0.584465 H\n0.415317 0.186149 0.084465 H\n0.415317 0.686149 0.415535 H\n0.584683 0.813851 0.915535 H\n0.367049 0.553343 0.761917 H\n0.632951 0.946657 0.261917 H\n0.632951 0.446657 0.238083 H\n0.367049 0.053343 0.738083 H\n0.979415 0.624143 0.671158 O\n0.020585 0.875857 0.171158 O\n0.020585 0.375857 0.328842 O\n0.979415 0.124143 0.828842 O\n0.119995 0.245884 0.559691 O\n0.880005 0.254116 0.059691 O\n0.880005 0.754116 0.440309 O\n0.119995 0.745884 0.940309 O\n0.650491 0.249479 0.521680 O\n0.349509 0.250521 0.021680 O\n0.349509 0.750521 0.478320 O\n0.650491 0.749479 0.978320 O\n0.455650 0.471708 0.724418 O\n0.544350 0.028292 0.224418 O\n0.544350 0.528292 0.275582 O\n0.455650 0.971708 0.775582 O\n",
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}