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{
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{
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"structure_string": "Er1 Cd1 Au2\n1.0\n0.000000 3.478138 3.478138\n3.478138 0.000000 3.478138\n3.478138 3.478138 0.000000\nEr Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
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"structure_string": "Ca8 Sn2 S12\n1.0\n3.760289 6.692718 0.000000\n-3.760289 6.692718 0.000000\n0.000000 5.182091 12.470298\nCa Sn S\n8 2 12\ndirect\n0.692993 0.916400 0.861948 Ca\n0.916400 0.692993 0.361948 Ca\n0.229073 0.487827 0.043341 Ca\n0.487827 0.229073 0.543341 Ca\n0.051274 0.268163 0.855898 Ca\n0.268163 0.051274 0.355898 Ca\n0.352037 0.713977 0.704905 Ca\n0.713977 0.352037 0.204905 Ca\n0.319777 0.876751 0.109226 Sn\n0.876751 0.319777 0.609226 Sn\n0.598746 0.083033 0.364228 S\n0.083033 0.598746 0.864228 S\n0.548608 0.586580 0.017065 S\n0.586580 0.548608 0.517065 S\n0.511295 0.070962 0.052822 S\n0.070962 0.511295 0.552822 S\n0.044422 0.983491 0.566807 S\n0.983491 0.044422 0.066807 S\n0.005359 0.415279 0.243610 S\n0.415279 0.005359 0.743610 S\n0.712973 0.308780 0.795949 S\n0.308780 0.712973 0.295949 S\n",
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{
"id": "mp-980201",
"created_at": "2022-09-04T14:48:28.827216Z",
"structure_string": "Tm1 Hf1 Ir2\n1.0\n0.000000 3.331889 3.331889\n3.331889 0.000000 3.331889\n3.331889 3.331889 0.000000\nTm Hf Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-31690",
"created_at": "2022-09-04T14:48:28.850613Z",
"structure_string": "Cr4 P12 O36\n1.0\n9.365777 0.000000 0.000000\n-3.026788 8.882336 0.000000\n-3.285452 -3.601142 8.294160\nCr P O\n4 12 36\ndirect\n0.699107 0.900488 0.790860 Cr\n0.774001 0.251439 0.728207 Cr\n0.300893 0.099512 0.209140 Cr\n0.225999 0.748561 0.271793 Cr\n0.334577 0.571949 0.694904 P\n0.436673 0.302288 0.592887 P\n0.389483 0.996897 0.647688 P\n0.844628 0.486824 0.099324 P\n0.610517 0.003103 0.352312 P\n0.665423 0.428051 0.305096 P\n0.796913 0.064864 0.167922 P\n0.097291 0.186796 0.923675 P\n0.563327 0.697712 0.407113 P\n0.902709 0.813204 0.076325 P\n0.203087 0.935136 0.832078 P\n0.155372 0.513176 0.900676 P\n0.195938 0.371622 0.952585 O\n0.858467 0.827536 0.915797 O\n0.740517 0.147627 0.505291 O\n0.423882 0.966543 0.313839 O\n0.937059 0.218961 0.294444 O\n0.511562 0.264754 0.239729 O\n0.019981 0.570352 0.238690 O\n0.188045 0.644244 0.048818 O\n0.831700 0.903370 0.176300 O\n0.804062 0.628378 0.047415 O\n0.811955 0.355756 0.951182 O\n0.488438 0.735246 0.760271 O\n0.362839 0.154831 0.645225 O\n0.275877 0.960115 0.007596 O\n0.585786 0.561900 0.296670 O\n0.327744 0.248415 0.415565 O\n0.259483 0.852373 0.494709 O\n0.623603 0.350974 0.649892 O\n0.182288 0.514199 0.545916 O\n0.672256 0.751585 0.584435 O\n0.980019 0.429648 0.761310 O\n0.414214 0.438100 0.703330 O\n0.095103 0.878550 0.183913 O\n0.576118 0.033457 0.686161 O\n0.371841 0.987852 0.801822 O\n0.062941 0.781039 0.705556 O\n0.141533 0.172464 0.084203 O\n0.817712 0.485801 0.454084 O\n0.168300 0.096630 0.823700 O\n0.628159 0.012148 0.198178 O\n0.376397 0.649026 0.350108 O\n0.301284 0.586327 0.855472 O\n0.724123 0.039885 0.992404 O\n0.904897 0.121450 0.816087 O\n0.637161 0.845169 0.354775 O\n0.698716 0.413673 0.144528 O\n",
"nsites": 52,
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"elements": [
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],
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"density": 2.781193648699758,
"density_atomic": 0.07536330296382623,
"volume": 689.9909897123216,
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"formula_full": "Cr4 P12 O36",
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"formula_anonymous": "AB3C9",
"energy": -413.13482848,
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{
"id": "mp-1177705",
"created_at": "2022-09-04T14:48:28.853131Z",
"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n6.449428 0.000000 0.000000\n-0.049640 8.455243 0.000000\n-0.056409 -0.897642 9.924943\nLi Co P C O\n12 4 4 4 28\ndirect\n0.744290 0.908586 0.383947 Li\n0.744065 0.901050 0.881941 Li\n0.522035 0.718550 0.124161 Li\n0.981589 0.725589 0.626817 Li\n0.525556 0.723059 0.624933 Li\n0.749722 0.340957 0.106724 Li\n0.486438 0.275997 0.365260 Li\n0.013666 0.278024 0.364770 Li\n0.488362 0.275915 0.887021 Li\n0.006360 0.274080 0.885112 Li\n0.250537 0.108892 0.109067 Li\n0.250967 0.101589 0.615449 Li\n0.986400 0.732029 0.128403 Co\n0.250357 0.663925 0.396740 Co\n0.255730 0.661756 0.891439 Co\n0.750863 0.332148 0.605086 Co\n0.753072 0.589918 0.361673 P\n0.749651 0.582434 0.861176 P\n0.246475 0.409746 0.139193 P\n0.251178 0.412522 0.637741 P\n0.243618 0.960566 0.346849 C\n0.247189 0.961553 0.850730 C\n0.752464 0.037710 0.149035 C\n0.750541 0.038584 0.651519 C\n0.251315 0.928152 0.470366 O\n0.760013 0.885649 0.181130 O\n0.248794 0.926396 0.975214 O\n0.237279 0.837809 0.253525 O\n0.748569 0.892182 0.681682 O\n0.242126 0.844326 0.755722 O\n0.938617 0.693712 0.419796 O\n0.563375 0.693010 0.410300 O\n0.939707 0.687341 0.918379 O\n0.565824 0.691052 0.912830 O\n0.243324 0.580698 0.087007 O\n0.764542 0.574671 0.204352 O\n0.254151 0.579882 0.586834 O\n0.755429 0.569131 0.704088 O\n0.246558 0.434913 0.297119 O\n0.747863 0.422226 0.410762 O\n0.249646 0.433456 0.795125 O\n0.746854 0.418929 0.913191 O\n0.058446 0.307904 0.088719 O\n0.439541 0.316020 0.089924 O\n0.437800 0.308403 0.585948 O\n0.062998 0.308863 0.583820 O\n0.744767 0.145527 0.247822 O\n0.246205 0.103103 0.311071 O\n0.754891 0.154866 0.746516 O\n0.750752 0.065332 0.025739 O\n0.251811 0.107050 0.820240 O\n0.747681 0.074218 0.527990 O\n",
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"formula_full": "Li12 Co4 P4 C4 O28",
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{
"id": "mp-1110751",
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"structure_string": "Rb2 Li1 Bi1 I6\n1.0\n0.000000 6.064111 6.064111\n6.064111 0.000000 6.064111\n6.064111 6.064111 0.000000\nRb Li Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.746101 0.253899 0.253899 I\n0.253899 0.253899 0.746101 I\n0.253899 0.746101 0.746101 I\n0.253899 0.746101 0.253899 I\n0.746101 0.253899 0.746101 I\n0.746101 0.746101 0.253899 I\n",
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{
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"structure_string": "Ca11 Al1 Si3 Cl1 O18\n1.0\n0.000000 7.471335 7.509309\n4.425624 0.000000 7.509309\n4.425624 7.471335 0.000000\nCa Al Si Cl O\n11 1 3 1 18\ndirect\n0.293219 0.453002 0.964806 Ca\n0.711027 0.035194 0.546998 Ca\n0.546998 0.706781 0.711027 Ca\n0.004105 0.995895 0.004105 Ca\n0.037470 0.705765 0.703180 Ca\n0.964806 0.288973 0.293219 Ca\n0.446415 0.296820 0.294235 Ca\n0.294235 0.962530 0.446415 Ca\n0.000074 0.500176 0.499824 Ca\n0.703180 0.553585 0.037470 Ca\n0.499824 0.999926 0.000074 Ca\n0.211529 0.788471 0.211529 Al\n0.789203 0.210797 0.789203 Si\n0.212207 0.211211 0.788789 Si\n0.788789 0.787793 0.212207 Si\n0.499006 0.500994 0.499006 Cl\n0.635878 0.182039 0.817961 O\n0.751604 0.748396 0.751604 O\n0.004296 0.701337 0.995472 O\n0.365841 0.182472 0.817528 O\n0.297354 0.702646 0.978611 O\n0.817961 0.364122 0.635878 O\n0.298663 0.995704 0.701105 O\n0.817528 0.634159 0.365841 O\n0.183102 0.363881 0.636119 O\n0.701105 0.004528 0.298663 O\n0.978611 0.021389 0.297354 O\n0.005500 0.994500 0.705713 O\n0.179322 0.625065 0.374935 O\n0.636119 0.816898 0.183102 O\n0.995472 0.298895 0.004296 O\n0.251604 0.248396 0.251604 O\n0.374935 0.820678 0.179322 O\n0.705713 0.294287 0.005500 O\n",
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{
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{
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