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{
"id": "mp-1217834",
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{
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"structure_string": "Ca8 Ni16 O32\n1.0\n6.178414 -0.020565 -0.122336\n3.071397 5.319815 0.000000\n11.934939 7.295534 19.563763\nCa Ni O\n8 16 32\ndirect\n0.164253 0.117986 0.024944 Ca\n0.994524 0.501732 0.125503 Ca\n0.144928 0.107897 0.284819 Ca\n0.007036 0.495533 0.375474 Ca\n0.997809 0.498636 0.626230 Ca\n0.497840 0.506785 0.497148 Ca\n0.986812 0.505023 0.875785 Ca\n0.501477 0.492880 0.753190 Ca\n0.501428 0.495658 0.124421 Ni\n0.500869 0.501544 0.249011 Ni\n0.501428 0.005230 0.124421 Ni\n0.133140 0.110795 0.536317 Ni\n0.505920 0.491222 0.372903 Ni\n0.843256 0.889200 0.219586 Ni\n0.149676 0.111237 0.781963 Ni\n0.505920 0.011247 0.372903 Ni\n0.499352 0.501595 0.625138 Ni\n0.857084 0.888019 0.466719 Ni\n0.499352 0.998499 0.625138 Ni\n0.499736 0.989253 0.875535 Ni\n0.499736 0.508870 0.875535 Ni\n0.865347 0.886929 0.715199 Ni\n0.499216 0.493935 0.003229 Ni\n0.830780 0.890132 0.972239 Ni\n0.314227 0.256731 0.061617 O\n0.323780 0.241632 0.173239 O\n0.314227 0.682575 0.061617 O\n0.722804 0.271422 0.058588 O\n0.236395 0.758120 0.186841 O\n0.319469 0.258451 0.310117 O\n0.695948 0.288540 0.189518 O\n0.276337 0.229091 0.441369 O\n0.319469 0.681613 0.310117 O\n0.680441 0.763565 0.073107 O\n0.702326 0.257011 0.320913 O\n0.695948 0.757440 0.189518 O\n0.272423 0.220352 0.568011 O\n0.260688 0.781181 0.419237 O\n0.730365 0.269422 0.428095 O\n0.295556 0.231787 0.685218 O\n0.272423 0.735178 0.568011 O\n0.708659 0.764537 0.315567 O\n0.761817 0.234975 0.567058 O\n0.730365 0.787835 0.428095 O\n0.245502 0.765000 0.681124 O\n0.266861 0.212551 0.820628 O\n0.722249 0.266886 0.682374 O\n0.331297 0.251457 0.916447 O\n0.266861 0.738073 0.820628 O\n0.705551 0.767368 0.564928 O\n0.789761 0.223036 0.816042 O\n0.722249 0.781372 0.682374 O\n0.261702 0.721545 0.948802 O\n0.690043 0.288814 0.944009 O\n0.687295 0.767497 0.819428 O\n0.690043 0.745105 0.944009 O\n",
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{
"id": "mp-675759",
"created_at": "2022-09-04T14:41:11.123009Z",
"structure_string": "Tm10 Ti6 O27\n1.0\n3.760321 6.330303 0.000000\n-3.760321 6.330303 0.000000\n0.000000 4.501982 11.213964\nTm Ti O\n10 6 27\ndirect\n0.982673 0.510492 0.982210 Tm\n0.510492 0.982673 0.982210 Tm\n0.753034 0.753034 0.245744 Tm\n0.241411 0.241411 0.249171 Tm\n0.234073 0.750290 0.248952 Tm\n0.231765 0.231765 0.758927 Tm\n0.493812 0.493812 0.518839 Tm\n0.750290 0.234073 0.248952 Tm\n0.777682 0.219919 0.752888 Tm\n0.219919 0.777682 0.752888 Tm\n0.503247 0.503247 0.996934 Ti\n0.516316 0.004397 0.500021 Ti\n0.004397 0.516316 0.500021 Ti\n0.003418 0.003418 0.508871 Ti\n0.760696 0.760696 0.720971 Ti\n0.007104 0.007104 0.016194 Ti\n0.847813 0.847813 0.029430 O\n0.510939 0.069686 0.339787 O\n0.069686 0.510939 0.339787 O\n0.817640 0.284781 0.047155 O\n0.932055 0.932055 0.200881 O\n0.832766 0.832766 0.533423 O\n0.438288 0.438288 0.169525 O\n0.261158 0.261158 0.564528 O\n0.223141 0.637006 0.445124 O\n0.112499 0.545800 0.771855 O\n0.284781 0.817640 0.047155 O\n0.058808 0.058808 0.341091 O\n0.274006 0.888463 0.544091 O\n0.545800 0.112499 0.771855 O\n0.447449 0.916931 0.183677 O\n0.637006 0.223141 0.445124 O\n0.593759 0.265392 0.933930 O\n0.921528 0.921528 0.690571 O\n0.888463 0.274006 0.544091 O\n0.674206 0.674206 0.447547 O\n0.916931 0.447449 0.183677 O\n0.675714 0.675714 0.903224 O\n0.857070 0.492179 0.687255 O\n0.047511 0.047511 0.836853 O\n0.265392 0.593759 0.933930 O\n0.195585 0.195585 0.955885 O\n0.492179 0.857070 0.687255 O\n",
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"volume": 533.8737545933604,
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"formula_full": "Tm10 Ti6 O27",
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"spacegroup": 8
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{
"id": "mp-1077021",
"created_at": "2022-09-04T14:41:11.652900Z",
"structure_string": "Ti2 S4\n1.0\n1.674076 -2.899585 0.000000\n1.674076 2.899585 0.000000\n0.000000 0.000000 12.959020\nTi S\n2 4\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.866156 S\n0.666667 0.333333 0.133844 S\n0.666667 0.333333 0.366156 S\n0.333333 0.666667 0.633844 S\n",
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{
"id": "mp-504341",
"created_at": "2022-09-04T14:41:11.125660Z",
"structure_string": "Sb2 P8 O24\n1.0\n14.058472 0.000000 0.000000\n0.000000 5.385042 0.000000\n0.000000 1.180051 7.292071\nSb P O\n2 8 24\ndirect\n0.737600 0.514001 0.486582 Sb\n0.237600 0.485999 0.513418 Sb\n0.881149 0.999616 0.559769 P\n0.097827 0.972962 0.564108 P\n0.381149 0.000384 0.440231 P\n0.668807 0.879143 0.083407 P\n0.320567 0.773639 0.111827 P\n0.597827 0.027038 0.435892 P\n0.168807 0.120857 0.916593 P\n0.820567 0.226361 0.888173 P\n0.763877 0.047271 0.045627 O\n0.327291 0.796691 0.566389 O\n0.366944 0.266526 0.478565 O\n0.744128 0.378940 0.765160 O\n0.159281 0.175021 0.453161 O\n0.360738 0.987828 0.232348 O\n0.108983 0.712469 0.513084 O\n0.866944 0.733474 0.521435 O\n0.827291 0.203309 0.433611 O\n0.702823 0.632482 0.202638 O\n0.860738 0.012172 0.767652 O\n0.263877 0.952729 0.954373 O\n0.613808 0.041751 0.223480 O\n0.202823 0.367518 0.797362 O\n0.113808 0.958249 0.776520 O\n0.609964 0.862714 0.923056 O\n0.897921 0.357850 0.964368 O\n0.659281 0.824979 0.546839 O\n0.608983 0.287531 0.486916 O\n0.109964 0.137286 0.076944 O\n0.244128 0.621060 0.234840 O\n0.991289 0.066166 0.529926 O\n0.491289 0.933834 0.470074 O\n0.397921 0.642150 0.035632 O\n",
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{
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{
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{
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{
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"structure_string": "Mg14 Sn1 Bi1\n1.0\n6.437151 0.000000 -0.000000\n-3.218575 5.574736 -0.000000\n0.000000 0.000000 10.408518\nMg Sn Bi\n14 1 1\ndirect\n0.165829 0.832914 0.125000 Mg\n0.165438 0.832718 0.625000 Mg\n0.667086 0.334171 0.125000 Mg\n0.667282 0.334562 0.625000 Mg\n0.667086 0.832914 0.125000 Mg\n0.667282 0.832718 0.625000 Mg\n0.337304 0.162696 0.373310 Mg\n0.337304 0.162696 0.876690 Mg\n0.337304 0.674609 0.373310 Mg\n0.337304 0.674609 0.876690 Mg\n0.825391 0.162696 0.373310 Mg\n0.825391 0.162696 0.876690 Mg\n0.833333 0.666667 0.376273 Mg\n0.833333 0.666667 0.873727 Mg\n0.166667 0.333333 0.125000 Sn\n0.166667 0.333333 0.625000 Bi\n",
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{
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"structure_string": "Ta12 Te16 Cl4 O60\n1.0\n3.913363 9.660596 0.000000\n-3.913363 9.660596 0.000000\n0.000000 9.639394 19.276663\nTa Te Cl O\n12 16 4 60\ndirect\n0.751736 0.003403 0.490350 Ta\n0.248264 0.996597 0.509650 Ta\n0.996597 0.248264 0.009650 Ta\n0.003403 0.751736 0.990350 Ta\n0.491372 0.750925 0.006084 Ta\n0.508628 0.249075 0.993916 Ta\n0.249075 0.508628 0.493916 Ta\n0.750925 0.491372 0.506084 Ta\n0.140146 0.365835 0.252825 Ta\n0.859854 0.634165 0.747175 Ta\n0.634165 0.859854 0.247175 Ta\n0.365835 0.140146 0.752825 Ta\n0.734458 0.606709 0.124726 Te\n0.265542 0.393291 0.875274 Te\n0.393291 0.265542 0.375274 Te\n0.606709 0.734458 0.624726 Te\n0.126607 0.008530 0.363482 Te\n0.873393 0.991470 0.636518 Te\n0.991470 0.873393 0.136518 Te\n0.008530 0.126607 0.863482 Te\n0.230551 0.122878 0.143806 Te\n0.769449 0.877122 0.856194 Te\n0.877122 0.769449 0.356194 Te\n0.122878 0.230551 0.643806 Te\n0.510131 0.395230 0.129202 Te\n0.489869 0.604770 0.870798 Te\n0.604770 0.489869 0.370798 Te\n0.395230 0.510131 0.629202 Te\n0.459595 0.540405 0.250000 Cl\n0.540405 0.459595 0.750000 Cl\n0.962133 0.037867 0.250000 Cl\n0.037867 0.962133 0.750000 Cl\n0.075909 0.343727 0.182311 O\n0.924091 0.656273 0.817689 O\n0.656273 0.924091 0.317689 O\n0.343727 0.075909 0.682311 O\n0.992540 0.256036 0.503960 O\n0.007460 0.743964 0.496040 O\n0.743964 0.007460 0.996040 O\n0.256036 0.992540 0.003960 O\n0.760820 0.036789 0.570595 O\n0.239180 0.963211 0.429405 O\n0.963211 0.239180 0.929405 O\n0.036789 0.760820 0.070595 O\n0.379420 0.083393 0.247264 O\n0.620580 0.916607 0.752736 O\n0.916607 0.620580 0.252736 O\n0.083393 0.379420 0.747264 O\n0.760961 0.949851 0.407399 O\n0.239039 0.050149 0.592601 O\n0.050149 0.239039 0.092601 O\n0.949851 0.760961 0.907399 O\n0.523694 0.803279 0.078535 O\n0.476306 0.196721 0.921465 O\n0.196721 0.476306 0.421465 O\n0.803279 0.523694 0.578535 O\n0.631984 0.901870 0.551272 O\n0.368016 0.098130 0.448728 O\n0.098130 0.368016 0.948728 O\n0.901870 0.631984 0.051272 O\n0.740021 0.475740 0.034932 O\n0.259979 0.524260 0.965068 O\n0.524260 0.259979 0.465068 O\n0.475740 0.740021 0.534932 O\n0.016760 0.266705 0.326949 O\n0.983240 0.733295 0.673051 O\n0.733295 0.983240 0.173051 O\n0.266705 0.016760 0.826949 O\n0.521648 0.335072 0.054047 O\n0.478352 0.664928 0.945953 O\n0.664928 0.478352 0.445953 O\n0.335072 0.521648 0.554047 O\n0.221060 0.348281 0.326095 O\n0.778940 0.651719 0.673905 O\n0.651719 0.778940 0.173905 O\n0.348281 0.221060 0.826095 O\n0.366995 0.656763 0.089478 O\n0.633005 0.343237 0.910522 O\n0.343237 0.633005 0.410522 O\n0.656763 0.366995 0.589478 O\n0.288720 0.431705 0.181297 O\n0.711280 0.568295 0.818703 O\n0.568295 0.711280 0.318703 O\n0.431705 0.288720 0.681297 O\n0.364255 0.190790 0.069980 O\n0.635745 0.809210 0.930020 O\n0.809210 0.635745 0.430020 O\n0.190790 0.364255 0.569980 O\n0.898212 0.085811 0.424219 O\n0.101788 0.914189 0.575781 O\n0.914189 0.101788 0.075781 O\n0.085811 0.898212 0.924219 O\n",
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],
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"formula_full": "Ta12 Te16 Cl4 O60",
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{
"id": "mp-674422",
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"structure_string": "Li11 Mn11 O26\n1.0\n2.720900 -0.007752 4.379379\n1.235462 2.424251 4.379379\n-0.683175 -0.417275 68.214729\nLi Mn O\n11 11 26\ndirect\n0.077987 0.077987 0.089819 Li\n0.874665 0.874665 0.074291 Li\n0.542141 0.542141 0.415948 Li\n0.508437 0.508437 0.498526 Li\n0.505436 0.505436 0.576484 Li\n0.509952 0.509952 0.652345 Li\n0.519882 0.519882 0.727085 Li\n0.527365 0.527365 0.802182 Li\n0.514274 0.514274 0.880610 Li\n0.428658 0.428658 0.971448 Li\n0.984959 0.984959 0.004158 Li\n0.961699 0.961699 0.155848 Mn\n0.969213 0.969213 0.235527 Mn\n0.967971 0.967971 0.312738 Mn\n0.970475 0.970475 0.466147 Mn\n0.964539 0.964539 0.389089 Mn\n0.993099 0.993099 0.540103 Mn\n0.007814 0.007814 0.614518 Mn\n0.016874 0.016874 0.689353 Mn\n0.046419 0.046419 0.837153 Mn\n0.039144 0.039144 0.762229 Mn\n0.025166 0.025166 0.917527 Mn\n0.252503 0.252503 0.018793 O\n0.104907 0.104907 0.114616 O\n0.849348 0.849348 0.048453 O\n0.184708 0.184708 0.185608 O\n0.667799 0.667799 0.138976 O\n0.208006 0.208006 0.260789 O\n0.693979 0.693979 0.215051 O\n0.213494 0.213494 0.336406 O\n0.689365 0.689365 0.293937 O\n0.208240 0.208240 0.412638 O\n0.687878 0.687878 0.370944 O\n0.227924 0.227924 0.486498 O\n0.715701 0.715701 0.444996 O\n0.249255 0.249255 0.560407 O\n0.734747 0.734747 0.520237 O\n0.267522 0.267522 0.634140 O\n0.746271 0.746271 0.595264 O\n0.282198 0.282198 0.707765 O\n0.758916 0.758916 0.669529 O\n0.300003 0.300003 0.781465 O\n0.774765 0.774765 0.743645 O\n0.321649 0.321649 0.854455 O\n0.789040 0.789040 0.817044 O\n0.338119 0.338119 0.929261 O\n0.810214 0.810214 0.889442 O\n0.844281 0.844281 0.962432 O\n",
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]
}