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{
"id": "mp-31160",
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"structure_string": "Ca2 Zn2 Sn2\n1.0\n2.352848 -4.075253 0.000000\n2.352848 4.075253 0.000000\n0.000000 0.000000 7.565690\nCa Zn Sn\n2 2 2\ndirect\n0.000000 0.000000 0.246255 Ca\n0.000000 0.000000 0.746255 Ca\n0.333333 0.666667 0.055031 Zn\n0.666667 0.333333 0.555031 Zn\n0.333333 0.666667 0.464514 Sn\n0.666667 0.333333 0.964514 Sn\n",
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{
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{
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"structure_string": "Li4 Fe1 Te3 O12\n1.0\n5.213309 0.000000 0.000000\n0.009706 5.489895 0.000000\n0.016424 0.522966 7.537595\nLi Fe Te O\n4 1 3 12\ndirect\n0.996401 0.583199 0.262597 Li\n0.505085 0.054138 0.806532 Li\n0.006120 0.592468 0.810017 Li\n0.494572 0.023418 0.247012 Li\n0.001673 0.016925 0.001679 Fe\n0.499360 0.499642 0.504304 Te\n0.000026 0.003755 0.501762 Te\n0.499823 0.501100 0.000950 Te\n0.694616 0.807344 0.422932 O\n0.874661 0.987093 0.740382 O\n0.673624 0.187800 0.047700 O\n0.813417 0.307891 0.423009 O\n0.208201 0.310466 0.929003 O\n0.638947 0.488599 0.750636 O\n0.364285 0.481487 0.248544 O\n0.804717 0.678415 0.049161 O\n0.176348 0.679879 0.564700 O\n0.305724 0.792768 0.936437 O\n0.121146 0.973388 0.259135 O\n0.321253 0.172626 0.564707 O\n",
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{
"id": "mp-863677",
"created_at": "2022-09-04T14:39:41.002049Z",
"structure_string": "Pm2 Cu6\n1.0\n3.098930 -5.367505 0.000000\n3.098930 5.367505 0.000000\n0.000000 0.000000 4.305887\nPm Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.865169 0.134831 0.750000 Cu\n0.269661 0.134831 0.750000 Cu\n0.865169 0.730339 0.750000 Cu\n0.134831 0.865169 0.250000 Cu\n0.730339 0.865169 0.250000 Cu\n0.134831 0.269661 0.250000 Cu\n",
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{
"id": "mp-1214942",
"created_at": "2022-09-04T14:39:41.003573Z",
"structure_string": "Ba12 Ce3 Ru9 O36\n1.0\n5.157325 2.978675 -0.087188\n5.157325 -2.978675 -0.087188\n0.049504 0.000000 -29.859443\nBa Ce Ru O\n12 3 9 36\ndirect\n0.997924 0.997924 0.868053 Ba\n0.002076 0.002076 0.131947 Ba\n0.333346 0.333346 0.463842 Ba\n0.666654 0.666654 0.536158 Ba\n0.668142 0.668142 0.950125 Ba\n0.331858 0.331858 0.049875 Ba\n0.002383 0.002383 0.283637 Ba\n0.997617 0.997617 0.716363 Ba\n0.336521 0.336521 0.616444 Ba\n0.663479 0.663479 0.383557 Ba\n0.664507 0.664507 0.796054 Ba\n0.335493 0.335493 0.203946 Ba\n0.667956 0.667956 0.666711 Ce\n0.332044 0.332044 0.333289 Ce\n0.000000 0.000000 0.000000 Ce\n0.332431 0.332431 0.833636 Ru\n0.667569 0.667569 0.166364 Ru\n0.336757 0.336757 0.919007 Ru\n0.663243 0.663243 0.080993 Ru\n0.329089 0.329089 0.747801 Ru\n0.670911 0.670911 0.252199 Ru\n0.006308 0.006308 0.585787 Ru\n0.993692 0.993692 0.414213 Ru\n0.000000 0.000000 0.500000 Ru\n0.182037 0.182037 0.959084 O\n0.817963 0.817963 0.040916 O\n0.328645 0.851470 0.621362 O\n0.671355 0.148530 0.378638 O\n0.148530 0.671355 0.378638 O\n0.851470 0.328645 0.621362 O\n0.176129 0.176129 0.792942 O\n0.823871 0.823871 0.207058 O\n0.157836 0.157836 0.540138 O\n0.842164 0.842164 0.459862 O\n0.656717 0.180507 0.955263 O\n0.343283 0.819493 0.044737 O\n0.819493 0.343283 0.044737 O\n0.180507 0.656717 0.955263 O\n0.306707 0.843727 0.456242 O\n0.693293 0.156273 0.543758 O\n0.156273 0.693293 0.543758 O\n0.843727 0.306707 0.456242 O\n0.640807 0.177007 0.790381 O\n0.359193 0.822993 0.209619 O\n0.822993 0.359193 0.209619 O\n0.177007 0.640807 0.790381 O\n0.484251 0.008744 0.711710 O\n0.515749 0.991256 0.288290 O\n0.991256 0.515749 0.288290 O\n0.008744 0.484251 0.711710 O\n0.145812 0.145812 0.372726 O\n0.854188 0.854188 0.627274 O\n0.489704 0.489704 0.873603 O\n0.510296 0.510296 0.126397 O\n0.483536 0.483536 0.707033 O\n0.516464 0.516464 0.292967 O\n0.489005 0.024007 0.876649 O\n0.510995 0.975993 0.123351 O\n0.975993 0.510995 0.123351 O\n0.024007 0.489005 0.876649 O\n",
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],
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"density": 6.432869775570106,
"density_atomic": 0.06540396906877403,
"volume": 917.3755179430837,
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"formula_full": "Ba12 Ce3 Ru9 O36",
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{
"id": "mp-1228468",
"created_at": "2022-09-04T14:39:41.009028Z",
"structure_string": "Ba3 Nd3 Co6 O17\n1.0\n2.816560 8.127844 0.000000\n-2.816560 8.127844 0.000000\n0.000000 5.229740 7.926446\nBa Nd Co O\n3 3 6 17\ndirect\n0.332638 0.332638 0.331949 Ba\n0.667362 0.667362 0.668051 Ba\n0.000000 0.000000 0.000000 Ba\n0.174401 0.174401 0.150560 Nd\n0.500000 0.500000 0.500000 Nd\n0.825599 0.825599 0.849440 Nd\n0.253461 0.253461 0.747483 Co\n0.582163 0.582163 0.089103 Co\n0.919139 0.919139 0.418463 Co\n0.417837 0.417837 0.910897 Co\n0.746539 0.746539 0.252517 Co\n0.080861 0.080861 0.581537 Co\n0.922146 0.427586 0.926699 O\n0.249068 0.768276 0.269503 O\n0.618724 0.088571 0.588813 O\n0.427586 0.922146 0.926699 O\n0.768276 0.249068 0.269503 O\n0.088571 0.618724 0.588813 O\n0.077854 0.572414 0.073301 O\n0.381276 0.911429 0.411187 O\n0.750932 0.231724 0.730497 O\n0.572414 0.077854 0.073301 O\n0.911429 0.381276 0.411187 O\n0.231724 0.750932 0.730497 O\n0.500000 0.500000 0.000000 O\n0.823645 0.823645 0.333769 O\n0.176355 0.176355 0.666231 O\n0.668245 0.668245 0.165072 O\n0.331755 0.331755 0.834928 O\n",
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"formula_full": "Ba3 Nd3 Co6 O17",
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{
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"structure_string": "Nd4 Ni4 Sn4\n1.0\n4.601452 0.000000 0.000000\n0.000000 7.450947 0.000000\n0.000000 0.000000 7.700212\nNd Ni Sn\n4 4 4\ndirect\n0.250000 0.016834 0.299797 Nd\n0.250000 0.516834 0.200203 Nd\n0.750000 0.983166 0.700203 Nd\n0.750000 0.483166 0.799797 Nd\n0.250000 0.306910 0.583801 Ni\n0.250000 0.806910 0.916199 Ni\n0.750000 0.693090 0.416199 Ni\n0.750000 0.193090 0.083801 Ni\n0.250000 0.186638 0.912031 Sn\n0.250000 0.686638 0.587969 Sn\n0.750000 0.813362 0.087969 Sn\n0.750000 0.313362 0.412031 Sn\n",
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{
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"structure_string": "Co6 C20 Cl2 O18\n1.0\n8.142612 0.000000 0.000000\n3.370557 8.339161 0.000000\n1.616104 0.109359 12.444954\nCo C Cl O\n6 20 2 18\ndirect\n0.139143 0.372630 0.751375 Co\n0.332831 0.085540 0.730699 Co\n0.566234 0.730903 0.180133 Co\n0.860857 0.627370 0.248625 Co\n0.433766 0.269097 0.819867 Co\n0.667169 0.914460 0.269301 Co\n0.463914 0.451770 0.825419 C\n0.662594 0.150992 0.801123 C\n0.999066 0.636060 0.125845 C\n0.773480 0.955897 0.371137 C\n0.536086 0.548230 0.174581 C\n0.458483 0.067061 0.305251 C\n0.247143 0.001930 0.849394 C\n0.000934 0.363940 0.874155 C\n0.337406 0.849008 0.198877 C\n0.000447 0.383377 0.652341 C\n0.635569 0.767171 0.042039 C\n0.370392 0.272110 0.680001 C\n0.752857 0.998070 0.150606 C\n0.629608 0.727890 0.319999 C\n0.117205 0.575012 0.740223 C\n0.226520 0.044103 0.628863 C\n0.882795 0.424988 0.259777 C\n0.999553 0.616623 0.347659 C\n0.364431 0.232829 0.957961 C\n0.541517 0.932939 0.694749 C\n0.466787 0.316579 0.559419 Cl\n0.533213 0.683421 0.440581 Cl\n0.093856 0.604133 0.412060 O\n0.908052 0.362779 0.952040 O\n0.814912 0.079512 0.788123 O\n0.508512 0.431364 0.170687 O\n0.906144 0.395867 0.587940 O\n0.185088 0.920488 0.211877 O\n0.675590 0.829830 0.669132 O\n0.322868 0.210315 0.047342 O\n0.677132 0.789685 0.952658 O\n0.196954 0.944425 0.924935 O\n0.161607 0.012603 0.561139 O\n0.897642 0.292104 0.270216 O\n0.803046 0.055575 0.075065 O\n0.838393 0.987397 0.438861 O\n0.091948 0.637221 0.047960 O\n0.491488 0.568636 0.829313 O\n0.102358 0.707896 0.729784 O\n0.324410 0.170170 0.330868 O\n",
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{
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"structure_string": "Li8 Fe4 O12\n1.0\n-2.500145 4.329073 0.080037\n-7.720646 -4.458834 0.000007\n0.810677 -1.403719 4.787610\nLi Fe O\n8 4 12\ndirect\n0.749999 0.250000 0.000001 Li\n0.249998 0.750000 0.000000 Li\n0.250000 0.250000 0.500000 Li\n0.750001 0.750000 0.500000 Li\n0.249999 0.092325 0.000000 Li\n0.750001 0.592317 0.000001 Li\n0.250001 0.407675 0.000000 Li\n0.750001 0.907683 0.000000 Li\n0.249997 0.913544 0.499998 Fe\n0.250006 0.586456 0.499998 Fe\n0.749996 0.413513 0.499999 Fe\n0.749999 0.086488 0.499998 Fe\n0.979519 0.250000 0.735837 O\n0.479528 0.750001 0.735847 O\n0.520480 0.249999 0.264166 O\n0.020473 0.750000 0.264153 O\n0.514911 0.073360 0.725672 O\n0.014913 0.573363 0.725677 O\n0.985088 0.073359 0.274327 O\n0.485088 0.573363 0.274324 O\n0.985089 0.426639 0.274328 O\n0.485086 0.926637 0.274325 O\n0.514912 0.426640 0.725673 O\n0.014914 0.926636 0.725674 O\n",
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{
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"structure_string": "Cr1 In1 Cu2\n1.0\n0.000000 3.107111 3.107111\n3.107111 0.000000 3.107111\n3.107111 3.107111 0.000000\nCr In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
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{
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{
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}
]
}