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{
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{
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{
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{
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"structure_string": "Ba2 Na2 Li6 B12 O24\n1.0\n6.905973 -4.780431 0.000000\n6.905973 4.780431 0.000000\n3.596878 0.000000 7.589957\nBa Na Li B O\n2 2 6 12 24\ndirect\n0.852361 0.852361 0.852361 Ba\n0.147639 0.147639 0.147639 Ba\n0.668632 0.668632 0.668632 Na\n0.331368 0.331368 0.331368 Na\n0.782688 0.598526 0.279936 Li\n0.279936 0.782688 0.598526 Li\n0.598526 0.279936 0.782688 Li\n0.217312 0.401474 0.720064 Li\n0.720064 0.217312 0.401474 Li\n0.401474 0.720064 0.217312 Li\n0.692865 0.484633 0.067357 B\n0.067357 0.692865 0.484633 B\n0.484633 0.067357 0.692865 B\n0.307135 0.515367 0.932643 B\n0.932643 0.307135 0.515367 B\n0.515367 0.932643 0.307135 B\n0.132512 0.686078 0.166600 B\n0.166600 0.132512 0.686078 B\n0.686078 0.166600 0.132512 B\n0.867488 0.313922 0.833400 B\n0.833400 0.867488 0.313922 B\n0.313922 0.833400 0.867488 B\n0.903750 0.809948 0.470746 O\n0.470746 0.903750 0.809948 O\n0.809948 0.470746 0.903750 O\n0.096250 0.190052 0.529254 O\n0.529254 0.096250 0.190052 O\n0.190052 0.529254 0.096250 O\n0.657681 0.823050 0.378091 O\n0.378091 0.657681 0.823050 O\n0.823050 0.378091 0.657681 O\n0.342319 0.176950 0.621909 O\n0.621909 0.342319 0.176950 O\n0.176950 0.621909 0.342319 O\n0.942915 0.760058 0.186466 O\n0.186466 0.942915 0.760058 O\n0.760058 0.186466 0.942915 O\n0.057085 0.239942 0.813534 O\n0.813534 0.057085 0.239942 O\n0.239942 0.813534 0.057085 O\n0.651784 0.633161 0.117977 O\n0.117977 0.651784 0.633161 O\n0.633161 0.117977 0.651784 O\n0.348216 0.366839 0.882023 O\n0.882023 0.348216 0.366839 O\n0.366839 0.882023 0.348216 O\n",
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"formula_full": "Ba2 Na2 Li6 B12 O24",
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{
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"structure_string": "Ba2 Re2 H18\n1.0\n2.603741 -4.703585 0.000000\n2.603741 4.703585 0.000000\n0.000000 0.000000 9.365673\nBa Re H\n2 2 18\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.315943 0.684057 0.750000 Re\n0.684057 0.315943 0.250000 Re\n0.389359 0.610641 0.585325 H\n0.610641 0.389359 0.414675 H\n0.389359 0.610641 0.914675 H\n0.610641 0.389359 0.085325 H\n0.493235 0.993240 0.851579 H\n0.993240 0.493235 0.148421 H\n0.493235 0.993240 0.648421 H\n0.993240 0.493235 0.351579 H\n0.506765 0.006760 0.148421 H\n0.006760 0.506765 0.851579 H\n0.506765 0.006760 0.351579 H\n0.006760 0.506765 0.648421 H\n0.668586 0.758710 0.750000 H\n0.758710 0.668586 0.250000 H\n0.331414 0.241290 0.250000 H\n0.241290 0.331414 0.750000 H\n0.137586 0.862414 0.750000 H\n0.862414 0.137586 0.250000 H\n",
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{
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{
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{
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{
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"formula_full": "Sr2 Nb1 Bi1 O6",
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{
"id": "mp-638086",
"created_at": "2022-09-04T14:41:01.388858Z",
"structure_string": "K6 Th4 Cu6 S14\n1.0\n2.033899 -7.131219 0.000000\n2.033899 7.131219 0.000000\n0.000000 0.000000 24.759490\nK Th Cu S\n6 4 6 14\ndirect\n0.046170 0.953830 0.062234 K\n0.046170 0.953830 0.437766 K\n0.953830 0.046170 0.562234 K\n0.569138 0.430862 0.250000 K\n0.953830 0.046170 0.937766 K\n0.430862 0.569138 0.750000 K\n0.309214 0.690786 0.358068 Th\n0.690786 0.309214 0.641932 Th\n0.690786 0.309214 0.858068 Th\n0.309214 0.690786 0.141932 Th\n0.763275 0.236725 0.462358 Cu\n0.763275 0.236725 0.037642 Cu\n0.840590 0.159410 0.250000 Cu\n0.236725 0.763275 0.962358 Cu\n0.159410 0.840590 0.750000 Cu\n0.236725 0.763275 0.537642 Cu\n0.751230 0.248770 0.750000 S\n0.357405 0.642595 0.032555 S\n0.933389 0.066611 0.327366 S\n0.682489 0.317511 0.380004 S\n0.682489 0.317511 0.119996 S\n0.317511 0.682489 0.619996 S\n0.248770 0.751230 0.250000 S\n0.317511 0.682489 0.880004 S\n0.066611 0.933389 0.827366 S\n0.066611 0.933389 0.672634 S\n0.642595 0.357405 0.967445 S\n0.933389 0.066611 0.172634 S\n0.642595 0.357405 0.532555 S\n0.357405 0.642595 0.467445 S\n",
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"formula_full": "K6 Th4 Cu6 S14",
"formula_reduced": "K3Th2Cu3S7",
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"updated_at": "2021-11-28T01:35:20.583000Z",
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}
]
}