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{
"id": "mp-1202263",
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"structure_string": "Li8 Ca2 B20 H8 O40\n1.0\n8.397447 0.000000 0.000000\n0.000000 8.877858 0.000000\n0.000000 0.000000 9.546183\nLi Ca B H O\n8 2 20 8 40\ndirect\n0.177051 0.442368 0.789478 Li\n0.822949 0.557632 0.789478 Li\n0.822949 0.942368 0.289478 Li\n0.177051 0.057632 0.289478 Li\n0.324024 0.951673 0.987964 Li\n0.675976 0.048327 0.987964 Li\n0.675976 0.451673 0.487964 Li\n0.324024 0.548327 0.487964 Li\n0.000000 0.500000 0.166653 Ca\n0.000000 0.000000 0.666653 Ca\n0.430587 0.260951 0.889137 B\n0.569413 0.739049 0.889137 B\n0.569413 0.760951 0.389137 B\n0.430587 0.239049 0.389137 B\n0.071436 0.748884 0.899794 B\n0.928564 0.251116 0.899794 B\n0.928564 0.248884 0.399794 B\n0.071436 0.751116 0.399794 B\n0.500000 0.500000 0.764041 B\n0.500000 0.000000 0.264041 B\n0.317130 0.723344 0.748499 B\n0.682870 0.276656 0.748499 B\n0.682870 0.223344 0.248499 B\n0.317130 0.776656 0.248499 B\n0.180463 0.275169 0.541326 B\n0.819537 0.724831 0.541326 B\n0.819537 0.775169 0.041326 B\n0.180463 0.224831 0.041326 B\n0.000000 0.500000 0.510564 B\n0.000000 0.000000 0.010564 B\n0.317661 0.125002 0.656261 H\n0.682339 0.874998 0.656261 H\n0.682339 0.625002 0.156261 H\n0.317661 0.374998 0.156261 H\n0.323079 0.861281 0.573875 H\n0.676921 0.138719 0.573875 H\n0.676921 0.361281 0.073875 H\n0.323079 0.638719 0.073875 H\n0.102127 0.407783 0.596250 O\n0.897873 0.592217 0.596250 O\n0.897873 0.907783 0.096250 O\n0.102127 0.092217 0.096250 O\n0.394661 0.407787 0.858674 O\n0.605339 0.592213 0.858674 O\n0.605339 0.907787 0.358674 O\n0.394661 0.092213 0.358674 O\n0.177409 0.661606 0.828319 O\n0.822591 0.338394 0.828319 O\n0.822591 0.161606 0.328319 O\n0.177409 0.838394 0.328319 O\n0.324808 0.176060 0.966073 O\n0.675192 0.823940 0.966073 O\n0.675192 0.676060 0.466073 O\n0.324808 0.323940 0.466073 O\n0.399013 0.599366 0.679340 O\n0.600987 0.400634 0.679340 O\n0.600987 0.099366 0.179340 O\n0.399013 0.900634 0.179340 O\n0.065867 0.318174 0.951745 O\n0.934133 0.681826 0.951745 O\n0.934133 0.818174 0.451745 O\n0.065867 0.181826 0.451745 O\n0.427724 0.805261 0.847845 O\n0.572276 0.194739 0.847845 O\n0.572276 0.305261 0.347845 O\n0.427724 0.694739 0.347845 O\n0.215270 0.175063 0.662436 O\n0.784730 0.824937 0.662436 O\n0.784730 0.675063 0.162436 O\n0.215270 0.324937 0.162436 O\n0.247665 0.832971 0.646462 O\n0.752335 0.167029 0.646462 O\n0.752335 0.332971 0.146462 O\n0.247665 0.667029 0.146462 O\n0.097021 0.902662 0.910992 O\n0.902979 0.097338 0.910992 O\n0.902979 0.402662 0.410992 O\n0.097021 0.597338 0.410992 O\n",
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"volume": 711.6807538999003,
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"formula_full": "Li8 Ca2 B20 H8 O40",
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{
"id": "mp-1196503",
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"structure_string": "Ca4 Fe8 As8 O40\n1.0\n0.000000 -7.634245 0.000000\n-8.233359 3.817123 0.000000\n0.000000 0.000000 -11.999095\nCa Fe As O\n4 8 8 40\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.244913 0.757131 0.369068 Fe\n0.755087 0.242869 0.369068 Fe\n0.487782 0.242869 0.130932 Fe\n0.512218 0.757131 0.130932 Fe\n0.755087 0.242869 0.630932 Fe\n0.244913 0.757131 0.630932 Fe\n0.512218 0.757131 0.869068 Fe\n0.487782 0.242869 0.869068 Fe\n0.300629 0.089197 0.500000 As\n0.699371 0.910803 0.500000 As\n0.211432 0.910803 0.000000 As\n0.788568 0.089197 0.000000 As\n0.213123 0.426246 0.250000 As\n0.786877 0.573754 0.250000 As\n0.786877 0.573754 0.750000 As\n0.213123 0.426246 0.750000 As\n0.789121 0.033602 0.384550 O\n0.210879 0.966398 0.384550 O\n0.755519 0.966398 0.115450 O\n0.244481 0.033602 0.115450 O\n0.210879 0.966398 0.615450 O\n0.789121 0.033602 0.615450 O\n0.244481 0.033602 0.884550 O\n0.755519 0.966398 0.884550 O\n0.554262 0.168521 0.500000 O\n0.445738 0.831479 0.500000 O\n0.385741 0.831479 0.000000 O\n0.614259 0.168521 0.000000 O\n0.238848 0.245446 0.500000 O\n0.761152 0.754554 0.500000 O\n0.993402 0.754554 0.000000 O\n0.006598 0.245446 0.000000 O\n0.972567 0.298239 0.258383 O\n0.027433 0.701761 0.258383 O\n0.674327 0.701761 0.241617 O\n0.325673 0.298239 0.241617 O\n0.027433 0.701761 0.741617 O\n0.972567 0.298239 0.741617 O\n0.325673 0.298239 0.758383 O\n0.674327 0.701761 0.758383 O\n0.294812 0.552662 0.364044 O\n0.705188 0.447338 0.364044 O\n0.742150 0.447338 0.135956 O\n0.257850 0.552662 0.135956 O\n0.705188 0.447338 0.635956 O\n0.294812 0.552662 0.635956 O\n0.257850 0.552662 0.864044 O\n0.742150 0.447338 0.864044 O\n0.914193 0.332740 0.500000 O\n0.085807 0.667260 0.500000 O\n0.581453 0.667260 0.000000 O\n0.418547 0.332740 0.000000 O\n0.424518 0.849036 0.250000 O\n0.575482 0.150964 0.250000 O\n0.575482 0.150964 0.750000 O\n0.424518 0.849036 0.750000 O\n",
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{
"id": "mp-1188451",
"created_at": "2022-09-04T14:40:34.962234Z",
"structure_string": "Nd1 P12 Os4\n1.0\n-4.065783 4.065783 4.065783\n4.065783 -4.065783 4.065783\n4.065783 4.065783 -4.065783\nNd P Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.356929 0.213730 0.856801 P\n0.643071 0.786270 0.143199 P\n0.643071 0.499872 0.856801 P\n0.356929 0.500128 0.143199 P\n0.213730 0.856801 0.356929 P\n0.786270 0.143199 0.643071 P\n0.499872 0.856801 0.643071 P\n0.500128 0.143199 0.356929 P\n0.856801 0.356929 0.213730 P\n0.143199 0.643071 0.786270 P\n0.856801 0.643071 0.499872 P\n0.143199 0.356929 0.500128 P\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
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{
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"structure_string": "Mn10 V2 O16\n1.0\n5.427361 -0.001737 -0.904235\n-0.356878 6.027834 -1.844441\n0.005856 0.003536 10.402484\nMn V O\n10 2 16\ndirect\n0.242635 0.364554 0.732612 Mn\n0.757365 0.635446 0.267388 Mn\n0.503979 0.250955 0.002694 Mn\n0.496021 0.749045 0.997306 Mn\n0.744444 0.109619 0.736288 Mn\n0.255556 0.890381 0.263712 Mn\n0.249665 0.377502 0.263382 Mn\n0.750335 0.622498 0.736618 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.200876 0.787278 0.572163 V\n0.799124 0.212722 0.427837 V\n0.369413 0.594164 0.632850 O\n0.630587 0.405836 0.367150 O\n0.635030 0.956234 0.367772 O\n0.364970 0.043766 0.632228 O\n0.112361 0.645365 0.877896 O\n0.887639 0.354635 0.122104 O\n0.902444 0.790985 0.106571 O\n0.097556 0.209015 0.893429 O\n0.392807 0.574187 0.139983 O\n0.607193 0.425813 0.860017 O\n0.325975 0.057115 0.111169 O\n0.674025 0.942885 0.888831 O\n0.919701 0.815783 0.631150 O\n0.080299 0.184217 0.368850 O\n0.862575 0.304741 0.612975 O\n0.137425 0.695259 0.387025 O\n",
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{
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{
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{
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{
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"structure_string": "Rb4 Na2 Cr2 C12 N12\n1.0\n7.931385 0.000000 0.000000\n0.000000 7.441170 0.000000\n0.000000 7.324182 10.839350\nRb Na Cr C N\n4 2 2 12 12\ndirect\n0.572201 0.724805 0.251630 Rb\n0.072201 0.275195 0.248370 Rb\n0.427799 0.275195 0.748370 Rb\n0.927799 0.724805 0.751630 Rb\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.140619 0.258642 0.964836 C\n0.359381 0.258642 0.464836 C\n0.859381 0.741358 0.035164 C\n0.640619 0.741358 0.535164 C\n0.285492 0.818613 0.543674 C\n0.785492 0.181387 0.956326 C\n0.714508 0.181387 0.456326 C\n0.214508 0.818613 0.043674 C\n0.022473 0.102188 0.819829 C\n0.522473 0.897812 0.680171 C\n0.977527 0.897812 0.180171 C\n0.477527 0.102188 0.319829 C\n0.037227 0.163848 0.715565 N\n0.537227 0.836152 0.784435 N\n0.962773 0.836152 0.284435 N\n0.462773 0.163848 0.215565 N\n0.163798 0.710818 0.569994 N\n0.336202 0.710818 0.069994 N\n0.836202 0.289182 0.430006 N\n0.663798 0.289182 0.930006 N\n0.222649 0.407554 0.943681 N\n0.722649 0.592446 0.556319 N\n0.777351 0.592446 0.056319 N\n0.277351 0.407554 0.443681 N\n",
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