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{
"id": "mp-1201788",
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"structure_string": "Na2 U2 Co1 H8 C12 O28\n1.0\n6.502846 0.029274 0.573983\n2.814104 7.134360 1.962943\n0.069263 -0.041576 13.005328\nNa U Co H C O\n2 2 1 8 12 28\ndirect\n0.747185 0.838437 0.791064 Na\n0.252815 0.161563 0.208936 Na\n0.763223 0.337473 0.803450 U\n0.236777 0.662527 0.196550 U\n0.500000 0.000000 0.500000 Co\n0.916100 0.852219 0.575546 H\n0.083900 0.147781 0.424454 H\n0.806242 0.060583 0.593692 H\n0.193758 0.939416 0.406308 H\n0.751033 0.978471 0.319080 H\n0.248967 0.021529 0.680920 H\n0.647873 0.193324 0.325582 H\n0.352127 0.806676 0.674418 H\n0.309217 0.249935 0.773947 C\n0.690783 0.750065 0.226053 C\n0.215252 0.455085 0.780759 C\n0.784748 0.544915 0.219241 C\n0.803389 0.386971 0.543579 C\n0.196611 0.613029 0.456421 C\n0.696630 0.590288 0.560613 C\n0.303370 0.409712 0.439387 C\n0.524367 0.589824 0.978807 C\n0.475633 0.410176 0.021194 C\n0.973518 0.932151 0.975157 C\n0.026482 0.067849 0.024843 C\n0.169384 0.176789 0.766670 O\n0.830616 0.823211 0.233330 O\n0.007288 0.528426 0.789871 O\n0.992712 0.471574 0.210129 O\n0.353492 0.533705 0.776051 O\n0.646508 0.466295 0.223949 O\n0.517485 0.169160 0.774724 O\n0.482515 0.830840 0.225276 O\n0.821976 0.261641 0.631969 O\n0.178024 0.738359 0.368031 O\n0.680703 0.598703 0.658244 O\n0.319297 0.401297 0.341756 O\n0.633141 0.728684 0.482907 O\n0.366859 0.271316 0.517093 O\n0.861084 0.355491 0.454805 O\n0.138916 0.644509 0.545195 O\n0.631152 0.599624 0.892058 O\n0.368848 0.400376 0.107942 O\n0.456525 0.713004 0.032551 O\n0.543475 0.286996 0.967449 O\n0.889115 0.999321 0.882363 O\n0.110885 0.000679 0.117637 O\n0.015924 0.767271 0.029070 O\n0.984076 0.232729 0.970930 O\n0.778082 0.944518 0.598141 O\n0.221918 0.055482 0.401859 O\n0.692595 0.064241 0.368058 O\n0.307405 0.935759 0.631942 O\n",
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{
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"structure_string": "Na1 Mg30 Si1 O32\n1.0\n8.548928 0.000000 0.000000\n0.000000 8.548928 0.000000\n0.000000 0.000000 8.550703\nNa Mg Si O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253437 0.253437 0.000000 Mg\n0.253437 0.746563 0.000000 Mg\n0.746563 0.253437 0.000000 Mg\n0.746563 0.746563 0.000000 Mg\n0.251263 0.251263 0.500000 Mg\n0.251263 0.748737 0.500000 Mg\n0.748737 0.251263 0.500000 Mg\n0.748737 0.748737 0.500000 Mg\n0.000000 0.252117 0.251347 Mg\n0.000000 0.747883 0.251347 Mg\n0.500000 0.252160 0.249481 Mg\n0.500000 0.747840 0.249481 Mg\n0.000000 0.252117 0.748653 Mg\n0.000000 0.747883 0.748653 Mg\n0.500000 0.252160 0.750519 Mg\n0.500000 0.747840 0.750519 Mg\n0.252117 0.000000 0.251347 Mg\n0.252160 0.500000 0.249481 Mg\n0.747883 0.000000 0.251347 Mg\n0.747840 0.500000 0.249481 Mg\n0.252117 0.000000 0.748653 Mg\n0.252160 0.500000 0.750519 Mg\n0.747883 0.000000 0.748653 Mg\n0.747840 0.500000 0.750519 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.223943 O\n0.000000 0.500000 0.248720 O\n0.500000 0.000000 0.248720 O\n0.500000 0.500000 0.262957 O\n0.000000 0.000000 0.776057 O\n0.000000 0.500000 0.751280 O\n0.500000 0.000000 0.751280 O\n0.500000 0.500000 0.737043 O\n0.248853 0.248853 0.248784 O\n0.248853 0.751147 0.248784 O\n0.751147 0.248853 0.248784 O\n0.751147 0.751147 0.248784 O\n0.248853 0.248853 0.751216 O\n0.248853 0.751147 0.751216 O\n0.751147 0.248853 0.751216 O\n0.751147 0.751147 0.751216 O\n0.000000 0.219209 0.000000 O\n0.000000 0.780791 0.000000 O\n0.500000 0.233465 0.000000 O\n0.500000 0.766535 0.000000 O\n0.000000 0.245436 0.500000 O\n0.000000 0.754564 0.500000 O\n0.500000 0.246260 0.500000 O\n0.500000 0.753740 0.500000 O\n0.219209 0.000000 0.000000 O\n0.233465 0.500000 0.000000 O\n0.780791 0.000000 0.000000 O\n0.766535 0.500000 0.000000 O\n0.245436 0.000000 0.500000 O\n0.246260 0.500000 0.500000 O\n0.754564 0.000000 0.500000 O\n0.753740 0.500000 0.500000 O\n",
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{
"id": "mp-755070",
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"structure_string": "Ce2 Sm2 O4\n1.0\n0.000431 4.973515 0.000397\n2.492331 -2.486145 4.977084\n4.983852 0.000431 0.000620\nCe Sm O\n2 2 4\ndirect\n0.246277 0.498539 0.249792 Ce\n0.496583 0.997843 0.502777 Ce\n0.996988 0.997720 0.002677 Sm\n0.748313 0.498293 0.749895 Sm\n0.745292 0.498873 0.250346 O\n0.245077 0.491686 0.748723 O\n0.498542 0.000480 0.003303 O\n0.995799 0.997313 0.502128 O\n",
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"formula_full": "Ce2 Sm2 O4",
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{
"id": "mp-1018952",
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"structure_string": "Pr2 Zn2 In2\n1.0\n2.379073 -4.120676 0.000000\n2.379073 4.120676 0.000000\n0.000000 0.000000 7.749496\nPr Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
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{
"id": "mp-6766",
"created_at": "2022-09-04T14:48:10.355841Z",
"structure_string": "Ca2 Mg2 Si4 O12\n1.0\n4.514953 4.945850 0.000000\n-4.514953 4.945850 0.000000\n0.000000 1.504845 5.112973\nCa Mg Si O\n2 2 4 12\ndirect\n0.701090 0.298910 0.750000 Ca\n0.298910 0.701090 0.250000 Ca\n0.092425 0.907575 0.750000 Mg\n0.907575 0.092425 0.250000 Mg\n0.806915 0.620611 0.232704 Si\n0.193085 0.379389 0.767296 Si\n0.379389 0.193085 0.267296 Si\n0.620611 0.806915 0.732704 Si\n0.364947 0.334800 0.497898 O\n0.665200 0.635053 0.002102 O\n0.635053 0.665200 0.502102 O\n0.334800 0.364947 0.997898 O\n0.611896 0.113313 0.180134 O\n0.886687 0.388104 0.319866 O\n0.388104 0.886687 0.819866 O\n0.113313 0.611896 0.680134 O\n0.027710 0.203315 0.857162 O\n0.796685 0.972290 0.642838 O\n0.972290 0.796685 0.142838 O\n0.203315 0.027710 0.357162 O\n",
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{
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"structure_string": "Zr6 Al16 Ni7\n1.0\n0.000000 6.051938 6.051938\n6.051938 0.000000 6.051938\n6.051938 6.051938 0.000000\nZr Al Ni\n6 16 7\ndirect\n0.691357 0.691357 0.308643 Zr\n0.308643 0.691357 0.308643 Zr\n0.691357 0.308643 0.308643 Zr\n0.308643 0.308643 0.691357 Zr\n0.691357 0.308643 0.691357 Zr\n0.308643 0.691357 0.691357 Zr\n0.880826 0.880826 0.357523 Al\n0.880826 0.357523 0.880826 Al\n0.357523 0.880826 0.880826 Al\n0.880826 0.880826 0.880826 Al\n0.119174 0.119174 0.642477 Al\n0.119174 0.642477 0.119174 Al\n0.642477 0.119174 0.119174 Al\n0.119174 0.119174 0.119174 Al\n0.666417 0.666417 0.000749 Al\n0.666417 0.000749 0.666417 Al\n0.000749 0.666417 0.666417 Al\n0.666417 0.666417 0.666417 Al\n0.333583 0.333583 0.999251 Al\n0.333583 0.999251 0.333583 Al\n0.999251 0.333583 0.333583 Al\n0.333583 0.333583 0.333583 Al\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n",
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{
"id": "mp-1100520",
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"structure_string": "Li9 Mn7 O16\n1.0\n5.094550 0.000000 0.000000\n2.296009 7.342837 0.000000\n0.558750 1.308103 8.008119\nLi Mn O\n9 7 16\ndirect\n0.506925 0.561896 0.800289 Li\n0.498668 0.813080 0.066948 Li\n0.493075 0.438104 0.199711 Li\n0.490156 0.693314 0.438927 Li\n0.509844 0.306686 0.561073 Li\n0.501332 0.186920 0.933052 Li\n0.514580 0.060928 0.317853 Li\n0.485420 0.939072 0.682147 Li\n0.000000 0.000000 0.500000 Li\n0.006202 0.627859 0.622769 Mn\n0.993798 0.372141 0.377231 Mn\n0.001271 0.876692 0.868453 Mn\n0.998729 0.123308 0.131547 Mn\n0.000000 0.500000 0.000000 Mn\n0.995682 0.752142 0.255322 Mn\n0.004318 0.247858 0.744678 Mn\n0.770414 0.463845 0.609763 O\n0.765789 0.717092 0.857875 O\n0.791700 0.331593 0.954794 O\n0.769520 0.593569 0.227382 O\n0.758790 0.230288 0.342294 O\n0.768638 0.094396 0.730684 O\n0.768552 0.965627 0.110414 O\n0.783889 0.823580 0.454063 O\n0.208300 0.668407 0.045206 O\n0.231362 0.905604 0.269316 O\n0.229586 0.536155 0.390237 O\n0.241210 0.769712 0.657706 O\n0.230480 0.406431 0.772618 O\n0.234211 0.282908 0.142125 O\n0.216111 0.176420 0.545937 O\n0.231448 0.034373 0.889586 O\n",
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"formula_full": "Li9 Mn7 O16",
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{
"id": "mp-758787",
"created_at": "2022-09-04T14:48:00.680078Z",
"structure_string": "Li8 Fe4 Si4 O20\n1.0\n4.549829 0.000000 0.000000\n0.000000 9.073969 0.000000\n0.000000 0.000000 9.155232\nLi Fe Si O\n8 4 4 20\ndirect\n0.607830 0.000000 0.000368 Li\n0.392170 0.000000 0.500368 Li\n0.002520 0.237825 0.001106 Li\n0.997480 0.237825 0.501106 Li\n0.013312 0.500000 0.257287 Li\n0.986688 0.500000 0.757287 Li\n0.002520 0.762175 0.001106 Li\n0.997480 0.762175 0.501106 Li\n0.966491 0.000000 0.280658 Fe\n0.033509 0.000000 0.780658 Fe\n0.399532 0.500000 0.998030 Fe\n0.600468 0.500000 0.498030 Fe\n0.501219 0.250681 0.248989 Si\n0.498781 0.250681 0.748989 Si\n0.501219 0.749319 0.248989 Si\n0.498781 0.749319 0.748989 Si\n0.812438 0.000000 0.464172 O\n0.187562 0.000000 0.964172 O\n0.738253 0.149072 0.160468 O\n0.261747 0.149072 0.660468 O\n0.262359 0.153443 0.340643 O\n0.737641 0.153443 0.840643 O\n0.293202 0.353720 0.142011 O\n0.706798 0.353720 0.642011 O\n0.711059 0.354460 0.354330 O\n0.288941 0.354460 0.854330 O\n0.214505 0.500000 0.493453 O\n0.785495 0.500000 0.993453 O\n0.711059 0.645540 0.354330 O\n0.288941 0.645540 0.854330 O\n0.293202 0.646280 0.142011 O\n0.706798 0.646280 0.642011 O\n0.262359 0.846557 0.340643 O\n0.737641 0.846557 0.840643 O\n0.261747 0.850928 0.660468 O\n0.738253 0.850928 0.160468 O\n",
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{
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},
{
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"structure_string": "Pd3 W1\n1.0\n-1.943255 1.943255 4.037994\n1.943255 -1.943255 4.037994\n1.943255 1.943255 -4.037994\nPd W\n3 1\ndirect\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 W\n",
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{
"id": "mp-1095703",
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"structure_string": "Mg30 Cd1 Sn1 O32\n1.0\n8.639830 0.000000 0.000000\n0.000000 8.639830 0.000000\n0.000000 0.000000 8.639461\nMg Cd Sn O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251900 0.251900 0.000000 Mg\n0.748100 0.251900 0.000000 Mg\n0.251900 0.748100 0.000000 Mg\n0.748100 0.748100 0.000000 Mg\n0.250184 0.250184 0.500000 Mg\n0.749816 0.250184 0.500000 Mg\n0.250184 0.749816 0.500000 Mg\n0.749816 0.749816 0.500000 Mg\n0.254119 0.000000 0.254057 Mg\n0.745881 0.000000 0.254057 Mg\n0.248050 0.500000 0.252321 Mg\n0.751950 0.500000 0.252321 Mg\n0.254119 0.000000 0.745943 Mg\n0.745881 0.000000 0.745943 Mg\n0.248050 0.500000 0.747679 Mg\n0.751950 0.500000 0.747679 Mg\n0.000000 0.254119 0.254057 Mg\n0.500000 0.248050 0.252321 Mg\n0.000000 0.745881 0.254057 Mg\n0.500000 0.751950 0.252321 Mg\n0.000000 0.254119 0.745943 Mg\n0.500000 0.248050 0.747679 Mg\n0.000000 0.745881 0.745943 Mg\n0.500000 0.751950 0.747679 Mg\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.269848 O\n0.500000 0.000000 0.254408 O\n0.000000 0.500000 0.254408 O\n0.500000 0.500000 0.264290 O\n0.000000 0.000000 0.730152 O\n0.500000 0.000000 0.745592 O\n0.000000 0.500000 0.745592 O\n0.500000 0.500000 0.735710 O\n0.249966 0.249966 0.249105 O\n0.750034 0.249966 0.249105 O\n0.249966 0.750034 0.249105 O\n0.750034 0.750034 0.249105 O\n0.249966 0.249966 0.750895 O\n0.750034 0.249966 0.750895 O\n0.249966 0.750034 0.750895 O\n0.750034 0.750034 0.750895 O\n0.268419 0.000000 0.000000 O\n0.731581 0.000000 0.000000 O\n0.238681 0.500000 0.000000 O\n0.761319 0.500000 0.000000 O\n0.252551 0.000000 0.500000 O\n0.747449 0.000000 0.500000 O\n0.248741 0.500000 0.500000 O\n0.751259 0.500000 0.500000 O\n0.000000 0.268419 0.000000 O\n0.500000 0.238681 0.000000 O\n0.000000 0.731581 0.000000 O\n0.500000 0.761319 0.000000 O\n0.000000 0.252551 0.500000 O\n0.500000 0.248741 0.500000 O\n0.000000 0.747449 0.500000 O\n0.500000 0.751259 0.500000 O\n",
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{
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"structure_string": "Li6 Mn3 Co1 O10\n1.0\n2.991688 0.000000 0.000000\n-0.908335 7.759444 0.000000\n-0.136237 -2.073043 7.866321\nLi Mn Co O\n6 3 1 10\ndirect\n0.793864 0.600734 0.909128 Li\n0.993284 0.992639 0.485513 Li\n0.216141 0.408978 0.109304 Li\n0.404613 0.800950 0.696421 Li\n0.590272 0.188506 0.298351 Li\n0.413626 0.809078 0.207367 Li\n0.993004 0.992363 0.007300 Mn\n0.202796 0.403746 0.596602 Mn\n0.589371 0.196946 0.798256 Mn\n0.811684 0.609399 0.390473 Co\n0.433830 0.823896 0.957509 O\n0.571947 0.206828 0.560477 O\n0.790372 0.593449 0.172392 O\n0.968833 0.008179 0.764627 O\n0.180328 0.413103 0.360922 O\n0.228483 0.397641 0.841157 O\n0.421829 0.782975 0.445511 O\n0.560178 0.173381 0.035592 O\n0.826361 0.594510 0.629669 O\n0.009185 0.002697 0.233429 O\n",
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]
}