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{
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{
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"structure_string": "Ca10 Zr8 Ti2 Ge10 O50\n1.0\n-5.793210 0.000000 0.000000\n2.316445 7.560264 0.000000\n-1.060818 -3.782155 -24.812946\nCa Zr Ti Ge O\n10 8 2 10 50\ndirect\n0.706619 0.655408 0.880764 Ca\n0.105025 0.855504 0.079549 Ca\n0.498166 0.045506 0.279216 Ca\n0.899090 0.246093 0.479560 Ca\n0.299810 0.445226 0.680470 Ca\n0.293381 0.344592 0.119236 Ca\n0.700190 0.554774 0.319530 Ca\n0.100910 0.753907 0.520440 Ca\n0.501834 0.954494 0.720784 Ca\n0.894975 0.144496 0.920451 Ca\n0.100160 0.301131 0.299143 Zr\n0.500000 0.500000 0.500000 Zr\n0.899840 0.698869 0.700857 Zr\n0.000000 0.500000 0.000000 Zr\n0.403128 0.702238 0.198289 Zr\n0.800152 0.900494 0.399811 Zr\n0.199848 0.099506 0.600189 Zr\n0.596872 0.297762 0.801711 Zr\n0.299808 0.899137 0.900803 Ti\n0.700192 0.100863 0.099197 Ti\n0.004423 0.034670 0.787638 Ge\n0.199386 0.636868 0.385819 Ge\n0.599761 0.836783 0.586100 Ge\n0.405441 0.231410 0.985335 Ge\n0.800419 0.433150 0.183664 Ge\n0.199581 0.566850 0.816336 Ge\n0.400239 0.163217 0.413900 Ge\n0.800614 0.363132 0.614181 Ge\n0.594559 0.768590 0.014665 Ge\n0.995577 0.965330 0.212362 Ge\n0.544118 0.101656 0.869231 O\n0.768931 0.718254 0.468508 O\n0.168076 0.916695 0.668733 O\n0.943846 0.306064 0.068066 O\n0.367396 0.521561 0.267434 O\n0.632604 0.478439 0.732566 O\n0.831924 0.083305 0.331267 O\n0.231069 0.281746 0.531492 O\n0.056154 0.693936 0.931934 O\n0.455882 0.898344 0.130769 O\n0.813560 0.171216 0.765956 O\n0.012518 0.774549 0.362620 O\n0.412810 0.974501 0.562853 O\n0.209525 0.365685 0.965554 O\n0.608739 0.569067 0.162346 O\n0.391261 0.430933 0.837654 O\n0.587190 0.025499 0.437147 O\n0.987482 0.225451 0.637380 O\n0.790475 0.634315 0.034446 O\n0.186440 0.828784 0.234044 O\n0.246768 0.029146 0.960468 O\n0.438887 0.633055 0.563103 O\n0.839246 0.832829 0.763863 O\n0.646710 0.229614 0.159266 O\n0.039100 0.433401 0.362583 O\n0.960900 0.566599 0.637417 O\n0.160754 0.167171 0.236137 O\n0.561113 0.366945 0.436897 O\n0.353290 0.770386 0.840734 O\n0.753232 0.970854 0.039532 O\n0.192043 0.619449 0.744663 O\n0.390218 0.216999 0.342522 O\n0.790646 0.416029 0.542905 O\n0.580351 0.823933 0.942958 O\n0.979136 0.021869 0.140961 O\n0.020864 0.978131 0.859039 O\n0.209354 0.583971 0.457095 O\n0.609782 0.783001 0.657478 O\n0.419649 0.176067 0.057042 O\n0.807957 0.380551 0.255337 O\n0.903983 0.457151 0.841288 O\n0.106241 0.061200 0.439920 O\n0.506148 0.261247 0.640040 O\n0.303097 0.656204 0.041561 O\n0.705568 0.860307 0.240269 O\n0.294432 0.139693 0.759731 O\n0.493852 0.738753 0.359960 O\n0.893759 0.938800 0.560080 O\n0.696903 0.343796 0.958439 O\n0.096017 0.542849 0.158712 O\n",
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"structure_string": "Cs2 Li1 Er1 Cl6\n1.0\n0.000000 5.294111 5.294111\n5.294111 0.000000 5.294111\n5.294111 5.294111 0.000000\nCs Li Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Er\n0.751992 0.248008 0.248008 Cl\n0.248008 0.248008 0.751992 Cl\n0.248008 0.751992 0.751992 Cl\n0.248008 0.751992 0.248008 Cl\n0.751992 0.248008 0.751992 Cl\n0.751992 0.751992 0.248008 Cl\n",
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},
{
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"structure_string": "Sn12 Ir8 Se12\n1.0\n6.434870 -6.427886 0.000000\n6.434870 6.427886 0.000000\n0.013961 0.000000 9.095332\nSn Ir Se\n12 8 12\ndirect\n0.500657 0.348943 0.168286 Sn\n0.168286 0.500657 0.348943 Sn\n0.348943 0.168286 0.500657 Sn\n0.499343 0.651057 0.831714 Sn\n0.831714 0.499343 0.651057 Sn\n0.651057 0.831714 0.499343 Sn\n0.998443 0.848197 0.332200 Sn\n0.332200 0.998443 0.848197 Sn\n0.848197 0.332200 0.998443 Sn\n0.001557 0.151803 0.667800 Sn\n0.667800 0.001557 0.151803 Sn\n0.151803 0.667800 0.001557 Sn\n0.245157 0.245157 0.245157 Ir\n0.754843 0.754843 0.754843 Ir\n0.244490 0.745526 0.744154 Ir\n0.744154 0.244490 0.745526 Ir\n0.745526 0.744154 0.244490 Ir\n0.755510 0.254474 0.255846 Ir\n0.255846 0.755510 0.254474 Ir\n0.254474 0.255846 0.755510 Ir\n0.653466 0.998678 0.851155 Se\n0.851155 0.653466 0.998678 Se\n0.998678 0.851155 0.653466 Se\n0.346534 0.001322 0.148845 Se\n0.148845 0.346534 0.001322 Se\n0.001322 0.148845 0.346534 Se\n0.152454 0.499775 0.650420 Se\n0.650420 0.152454 0.499775 Se\n0.499775 0.650420 0.152454 Se\n0.847546 0.500225 0.349580 Se\n0.349580 0.847546 0.500225 Se\n0.500225 0.349580 0.847546 Se\n",
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},
{
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"created_at": "2022-09-04T14:46:02.982994Z",
"structure_string": "Na8 Ge4 S12\n1.0\n15.615339 0.000000 0.000000\n0.000000 5.873399 0.000000\n0.000000 2.791110 6.377669\nNa Ge S\n8 4 12\ndirect\n0.168293 0.983076 0.548863 Na\n0.831707 0.016924 0.451137 Na\n0.331707 0.483076 0.548863 Na\n0.668293 0.516924 0.451137 Na\n0.530407 0.835987 0.784465 Na\n0.030407 0.664013 0.215535 Na\n0.469593 0.164013 0.215535 Na\n0.969593 0.335987 0.784465 Na\n0.671546 0.150642 0.049876 Ge\n0.171546 0.349358 0.950124 Ge\n0.328454 0.849358 0.950124 Ge\n0.828454 0.650642 0.049876 Ge\n0.856279 0.551285 0.383670 S\n0.643721 0.051285 0.383670 S\n0.356279 0.948715 0.616330 S\n0.143721 0.448715 0.616330 S\n0.931193 0.830737 0.825908 S\n0.431193 0.669263 0.174092 S\n0.068807 0.169263 0.174092 S\n0.568807 0.330737 0.825908 S\n0.692906 0.804994 0.979792 S\n0.192906 0.695006 0.020208 S\n0.307094 0.195006 0.020208 S\n0.807094 0.304994 0.979792 S\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.04103064500214294,
"volume": 584.9286551246399,
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},
{
"id": "mp-675693",
"created_at": "2022-09-04T14:45:54.723523Z",
"structure_string": "Na16 Cd8 O16\n1.0\n8.866407 -0.007185 -3.150167\n-4.433726 7.693552 -3.134121\n-0.017296 -0.010270 9.401679\nNa Cd O\n16 8 16\ndirect\n0.034815 0.490134 0.768215 Na\n0.233546 0.965848 0.509573 Na\n0.227489 0.274907 0.738308 Na\n0.011169 0.045574 0.269671 Na\n0.225182 0.450362 0.463649 Na\n0.043023 0.272840 0.009153 Na\n0.279709 0.746483 0.232472 Na\n0.728766 0.986011 0.950147 Na\n0.529512 0.762254 0.541980 Na\n0.499898 0.236171 0.957025 Na\n0.489928 0.768275 0.039654 Na\n0.450090 0.458786 0.225404 Na\n0.277976 0.015431 0.049627 Na\n0.732160 0.267434 0.783522 Na\n0.966261 0.733057 0.996294 Na\n0.775334 0.548862 0.535159 Na\n0.264943 0.770061 0.729805 Cd\n0.542004 0.538681 0.777937 Cd\n0.456100 0.224140 0.451404 Cd\n0.001335 0.962685 0.740363 Cd\n0.768064 0.721744 0.255122 Cd\n0.730168 0.216992 0.261323 Cd\n0.753389 0.030397 0.490504 Cd\n0.971612 0.514249 0.233955 Cd\n0.041855 0.755516 0.777789 O\n0.225750 0.975599 0.257817 O\n0.983219 0.988745 0.494895 O\n0.288942 0.542715 0.752289 O\n0.242544 0.714323 0.472618 O\n0.244377 0.212313 0.960711 O\n0.470245 0.262560 0.712170 O\n0.503664 0.492138 0.507937 O\n0.546142 0.753801 0.290078 O\n0.747603 0.772498 0.033220 O\n0.739665 0.269555 0.514605 O\n0.727125 0.471502 0.249418 O\n0.501842 0.001627 0.997442 O\n0.788839 0.027960 0.741292 O\n0.953383 0.252917 0.217884 O\n0.002333 0.504856 0.009567 O\n",
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],
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}
]
}