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{
"id": "mp-683937",
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"structure_string": "Ni52 Sn32 P12\n1.0\n6.463907 0.000000 0.000000\n-0.203620 11.424046 0.000000\n-1.299003 -1.667233 20.130962\nNi Sn P\n52 32 12\ndirect\n0.952475 0.965319 0.092306 Ni\n0.830546 0.895268 0.284411 Ni\n0.885161 0.323555 0.791432 Ni\n0.169454 0.104732 0.715589 Ni\n0.570932 0.865677 0.052472 Ni\n0.654791 0.221038 0.612327 Ni\n0.463157 0.784872 0.252619 Ni\n0.404482 0.715009 0.126143 Ni\n0.478838 0.159494 0.360058 Ni\n0.291774 0.072903 0.136587 Ni\n0.976763 0.685197 0.338535 Ni\n0.937256 0.336730 0.229247 Ni\n0.584100 0.513744 0.899019 Ni\n0.415900 0.486256 0.100981 Ni\n0.345209 0.778962 0.387673 Ni\n0.849241 0.098793 0.799211 Ni\n0.536843 0.215128 0.747381 Ni\n0.324124 0.122067 0.554807 Ni\n0.611675 0.202121 0.183425 Ni\n0.708226 0.927097 0.863413 Ni\n0.738045 0.534322 0.738059 Ni\n0.845391 0.974876 0.683514 Ni\n0.254400 0.416389 0.839704 Ni\n0.500000 0.500000 0.500000 Ni\n0.047525 0.034681 0.907694 Ni\n0.595518 0.284991 0.873857 Ni\n0.059022 0.541573 0.653418 Ni\n0.194615 0.715104 0.589739 Ni\n0.388325 0.797879 0.816575 Ni\n0.429068 0.134323 0.947528 Ni\n0.745600 0.583611 0.160296 Ni\n0.062744 0.663270 0.770753 Ni\n0.880686 0.587628 0.534672 Ni\n0.314129 0.354200 0.578582 Ni\n0.769391 0.243039 0.990519 Ni\n0.230609 0.756961 0.009481 Ni\n0.628446 0.577526 0.294952 Ni\n0.805385 0.284896 0.410261 Ni\n0.371554 0.422474 0.705048 Ni\n0.261955 0.465678 0.261941 Ni\n0.114839 0.676445 0.208568 Ni\n0.685871 0.645800 0.421418 Ni\n0.119314 0.412372 0.465328 Ni\n0.154609 0.025124 0.316486 Ni\n0.521162 0.840506 0.639942 Ni\n0.088533 0.366245 0.043265 Ni\n0.000000 0.000000 0.500000 Ni\n0.940978 0.458427 0.346582 Ni\n0.675876 0.877933 0.445193 Ni\n0.150759 0.901207 0.200789 Ni\n0.023237 0.314803 0.661465 Ni\n0.911467 0.633755 0.956735 Ni\n0.776385 0.811180 0.161443 Sn\n0.044023 0.897457 0.792140 Sn\n0.615165 0.090633 0.065963 Sn\n0.311426 0.551159 0.384948 Sn\n0.890165 0.862277 0.974518 Sn\n0.263571 0.307268 0.157585 Sn\n0.522372 0.731320 0.525720 Sn\n0.757068 0.361985 0.110312 Sn\n0.736429 0.692732 0.842415 Sn\n0.109835 0.137723 0.025482 Sn\n0.667160 0.998633 0.564920 Sn\n0.418587 0.367922 0.981033 Sn\n0.223615 0.188820 0.838557 Sn\n0.581413 0.632078 0.018967 Sn\n0.403373 0.666226 0.705637 Sn\n0.477628 0.268680 0.474280 Sn\n0.864110 0.739361 0.660061 Sn\n0.135890 0.260639 0.339939 Sn\n0.969487 0.227479 0.528244 Sn\n0.504299 0.972951 0.749841 Sn\n0.955977 0.102543 0.207860 Sn\n0.058909 0.590999 0.076288 Sn\n0.173384 0.945609 0.613444 Sn\n0.030513 0.772521 0.471756 Sn\n0.384835 0.909367 0.934037 Sn\n0.826616 0.054391 0.386556 Sn\n0.332840 0.001367 0.435080 Sn\n0.941091 0.409001 0.923712 Sn\n0.242932 0.638015 0.889688 Sn\n0.596627 0.333774 0.294363 Sn\n0.495701 0.027049 0.250159 Sn\n0.688574 0.448841 0.615052 Sn\n0.734183 0.115863 0.900825 P\n0.571377 0.411446 0.797111 P\n0.204517 0.528738 0.555820 P\n0.663056 0.774711 0.344413 P\n0.265817 0.884137 0.099175 P\n0.336944 0.225289 0.655587 P\n0.936527 0.536415 0.249040 P\n0.795483 0.471262 0.444180 P\n0.063473 0.463585 0.750960 P\n0.155371 0.825679 0.298171 P\n0.844629 0.174321 0.701829 P\n0.428623 0.588554 0.202889 P\n",
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"updated_at": "2021-11-28T01:36:40.100000Z",
"spacegroup": 2
},
{
"id": "mp-1189464",
"created_at": "2022-09-04T14:44:26.940036Z",
"structure_string": "Zr2 Tl4 Pb2 Se8\n1.0\n4.308604 8.049939 0.000000\n-4.308604 8.049939 0.000000\n0.000000 2.319694 6.791135\nZr Tl Pb Se\n2 4 2 8\ndirect\n0.124815 0.875185 0.750000 Zr\n0.875185 0.124815 0.250000 Zr\n0.125831 0.377629 0.730639 Tl\n0.622371 0.874169 0.769361 Tl\n0.874169 0.622371 0.269361 Tl\n0.377629 0.125831 0.230639 Tl\n0.623308 0.376692 0.750000 Pb\n0.376692 0.623308 0.250000 Pb\n0.004728 0.797045 0.503407 Se\n0.202955 0.995272 0.996593 Se\n0.995272 0.202955 0.496593 Se\n0.797045 0.004728 0.003407 Se\n0.235740 0.548122 0.966737 Se\n0.451878 0.764260 0.533263 Se\n0.764260 0.451878 0.033263 Se\n0.548122 0.235740 0.466737 Se\n",
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"elements": [
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"chemical_system": "Pb-Se-Tl-Zr",
"density": 7.21217386948883,
"density_atomic": 0.03396397037794571,
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"formula_full": "Zr2 Tl4 Pb2 Se8",
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{
"id": "mp-973877",
"created_at": "2022-09-04T14:44:26.841626Z",
"structure_string": "Pa1 B1 O3\n1.0\n3.619435 0.000000 0.000000\n0.000000 3.619435 0.000000\n0.000000 0.000000 3.619435\nPa B O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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"formula_full": "Pa1 B1 O3",
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{
"id": "mp-1204616",
"created_at": "2022-09-04T14:44:26.946543Z",
"structure_string": "Rb8 Li8 Mo8 O40\n1.0\n7.937636 0.000000 0.000000\n0.000000 11.065445 0.000000\n0.000000 0.000000 12.981077\nRb Li Mo O\n8 8 8 40\ndirect\n0.808400 0.703402 0.371707 Rb\n0.308400 0.296598 0.128293 Rb\n0.191600 0.796598 0.871707 Rb\n0.691600 0.203402 0.628293 Rb\n0.191600 0.296598 0.628293 Rb\n0.691600 0.703402 0.871707 Rb\n0.808400 0.203402 0.128293 Rb\n0.308400 0.796598 0.371707 Rb\n0.984027 0.417034 0.323547 Li\n0.484027 0.582966 0.176453 Li\n0.015973 0.082966 0.823547 Li\n0.515973 0.917034 0.676453 Li\n0.015973 0.582966 0.676453 Li\n0.515973 0.417034 0.823547 Li\n0.984027 0.917034 0.176453 Li\n0.484027 0.082966 0.323547 Li\n0.062773 0.623251 0.125936 Mo\n0.562774 0.376749 0.374064 Mo\n0.937226 0.876749 0.625936 Mo\n0.437227 0.123251 0.874064 Mo\n0.937226 0.376749 0.874064 Mo\n0.437227 0.623251 0.625936 Mo\n0.062773 0.123251 0.374064 Mo\n0.562774 0.876749 0.125936 Mo\n0.941335 0.511900 0.197842 O\n0.441335 0.488100 0.302158 O\n0.058665 0.988100 0.697842 O\n0.558665 0.011900 0.802158 O\n0.058665 0.488100 0.802158 O\n0.558665 0.511900 0.697842 O\n0.941335 0.011900 0.302158 O\n0.441335 0.988100 0.197842 O\n0.966866 0.662000 0.007776 O\n0.466866 0.338000 0.492224 O\n0.033134 0.838000 0.507776 O\n0.533134 0.162000 0.992224 O\n0.033134 0.338000 0.992224 O\n0.533134 0.662000 0.507776 O\n0.966866 0.162000 0.492224 O\n0.466866 0.838000 0.007776 O\n0.073531 0.758234 0.204463 O\n0.573531 0.241766 0.295537 O\n0.926469 0.741766 0.704463 O\n0.426469 0.258234 0.795537 O\n0.926469 0.241766 0.795537 O\n0.426469 0.758234 0.704463 O\n0.073531 0.258234 0.295537 O\n0.573531 0.741766 0.204463 O\n0.273759 0.567275 0.102859 O\n0.773759 0.432725 0.397141 O\n0.726241 0.932725 0.602859 O\n0.226241 0.067275 0.897141 O\n0.726241 0.432725 0.897141 O\n0.226241 0.567275 0.602859 O\n0.273759 0.067275 0.397141 O\n0.773759 0.932725 0.102859 O\n0.145197 0.543699 0.396066 O\n0.645197 0.456301 0.103934 O\n0.854803 0.956301 0.896066 O\n0.354803 0.043699 0.603934 O\n0.854803 0.456301 0.603934 O\n0.354803 0.543699 0.896066 O\n0.145197 0.043699 0.103934 O\n0.645197 0.956301 0.396066 O\n",
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{
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"structure_string": "K4 Cu2 H8 Cl8 O4\n1.0\n7.473842 0.000000 0.000000\n0.000000 7.473842 0.000000\n0.000000 0.000000 7.911251\nK Cu H Cl O\n4 2 8 8 4\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.423751 0.576249 0.178125 H\n0.576249 0.423751 0.178125 H\n0.076249 0.076249 0.678125 H\n0.923751 0.923751 0.678125 H\n0.576249 0.423751 0.821875 H\n0.423751 0.576249 0.821875 H\n0.923751 0.923751 0.321875 H\n0.076249 0.076249 0.321875 H\n0.281095 0.718905 0.500000 Cl\n0.718905 0.281095 0.500000 Cl\n0.218905 0.218905 0.000000 Cl\n0.781095 0.781095 0.000000 Cl\n0.280093 0.719907 0.000000 Cl\n0.719907 0.280093 0.000000 Cl\n0.219907 0.219907 0.500000 Cl\n0.780093 0.780093 0.500000 Cl\n0.500000 0.500000 0.251795 O\n0.000000 0.000000 0.751795 O\n0.500000 0.500000 0.748205 O\n0.000000 0.000000 0.248205 O\n",
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{
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"structure_string": "Na3 Ce3 S6 O27\n1.0\n6.990377 0.000000 0.000000\n-3.495189 6.053844 0.000000\n0.000000 0.000000 13.067253\nNa Ce S O\n3 3 6 27\ndirect\n0.470438 0.000000 0.833333 Na\n0.529562 0.529562 0.500000 Na\n0.000000 0.470438 0.166667 Na\n0.575032 0.575032 0.000000 Ce\n0.000000 0.424968 0.666667 Ce\n0.424968 0.000000 0.333333 Ce\n0.016341 0.456882 0.909081 S\n0.440540 0.983659 0.575748 S\n0.543118 0.559460 0.242415 S\n0.983659 0.440540 0.424252 S\n0.456882 0.016341 0.090919 S\n0.559460 0.543118 0.757585 S\n0.172872 0.421107 0.971025 O\n0.248235 0.827128 0.637691 O\n0.578893 0.751765 0.304358 O\n0.827128 0.248235 0.362309 O\n0.421107 0.172872 0.028975 O\n0.751765 0.578893 0.695642 O\n0.881167 0.505208 0.982750 O\n0.624041 0.118833 0.649417 O\n0.494792 0.375959 0.316083 O\n0.118833 0.624041 0.350583 O\n0.505208 0.881167 0.017250 O\n0.375959 0.494792 0.683917 O\n0.134782 0.641969 0.834870 O\n0.507187 0.865218 0.501536 O\n0.358031 0.492813 0.168203 O\n0.865218 0.507187 0.498464 O\n0.641969 0.134782 0.165130 O\n0.492813 0.358031 0.831797 O\n0.870116 0.261216 0.845505 O\n0.391101 0.129884 0.512172 O\n0.738784 0.608899 0.178839 O\n0.129884 0.391101 0.487828 O\n0.261216 0.870116 0.154495 O\n0.608899 0.738784 0.821161 O\n0.871965 0.871965 0.000000 O\n0.000000 0.128035 0.666667 O\n0.128035 0.000000 0.333333 O\n",
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{
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"structure_string": "Yb10 Sn6\n1.0\n-4.062350 4.062350 7.631321\n4.062350 -4.062350 7.631321\n4.062350 4.062350 -7.631321\nYb Sn\n10 6\ndirect\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.531263 0.031263 0.848883 Yb\n0.182380 0.682380 0.151117 Yb\n0.031263 0.182380 0.500000 Yb\n0.682380 0.531263 0.500000 Yb\n0.468737 0.968737 0.151117 Yb\n0.817620 0.317620 0.848883 Yb\n0.968737 0.817620 0.500000 Yb\n0.317620 0.468737 0.500000 Yb\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n0.874012 0.374012 0.248023 Sn\n0.125988 0.625988 0.751977 Sn\n0.374012 0.125988 0.500000 Sn\n0.625988 0.874012 0.500000 Sn\n",
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{
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{
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{
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"structure_string": "Ca2 Nd4 Te8\n1.0\n-4.770811 4.770811 4.823665\n4.770811 -4.770811 4.823665\n4.770811 4.770811 -4.823665\nCa Nd Te\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.375000 0.750633 0.875633 Nd\n0.500633 0.625000 0.375633 Nd\n0.875000 0.499367 0.124367 Nd\n0.249367 0.125000 0.624367 Nd\n0.269093 0.871857 0.247454 Te\n0.771639 0.874403 0.252546 Te\n0.125597 0.378143 0.897236 Te\n0.978361 0.730907 0.602764 Te\n0.621857 0.519093 0.747454 Te\n0.480907 0.228361 0.102764 Te\n0.128143 0.375597 0.397236 Te\n0.624403 0.021639 0.752546 Te\n",
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}