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{
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{
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{
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{
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"structure_string": "Li4 Bi4 B8 O20\n1.0\n11.029881 0.000000 0.000000\n0.000000 6.750562 0.000000\n0.000000 2.174871 6.633371\nLi Bi B O\n4 4 8 20\ndirect\n0.493713 0.632207 0.808417 Li\n0.006287 0.132207 0.808417 Li\n0.993713 0.867793 0.191583 Li\n0.506287 0.367793 0.191583 Li\n0.830680 0.769923 0.754771 Bi\n0.669320 0.269923 0.754771 Bi\n0.330680 0.730077 0.245229 Bi\n0.169320 0.230077 0.245229 Bi\n0.106726 0.687984 0.903193 B\n0.393274 0.187984 0.903193 B\n0.076681 0.758809 0.527166 B\n0.576681 0.741191 0.472834 B\n0.423319 0.258809 0.527166 B\n0.923319 0.241191 0.472834 B\n0.606726 0.812016 0.096807 B\n0.893274 0.312016 0.096807 B\n0.680909 0.922386 0.940676 O\n0.011286 0.809197 0.932231 O\n0.819091 0.422386 0.940676 O\n0.488714 0.309197 0.932231 O\n0.133427 0.674730 0.712793 O\n0.648641 0.655478 0.641673 O\n0.366573 0.174730 0.712793 O\n0.953773 0.761334 0.495954 O\n0.851359 0.155478 0.641673 O\n0.453773 0.738666 0.504046 O\n0.546227 0.261334 0.495954 O\n0.148641 0.844522 0.358327 O\n0.046227 0.238666 0.504046 O\n0.633427 0.825270 0.287207 O\n0.351359 0.344522 0.358327 O\n0.866573 0.325270 0.287207 O\n0.511286 0.690803 0.067769 O\n0.180909 0.577614 0.059324 O\n0.988714 0.190803 0.067769 O\n0.319091 0.077614 0.059324 O\n",
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{
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"created_at": "2022-09-04T14:39:29.039697Z",
"structure_string": "Co4 H16 Se4 O20\n1.0\n6.470267 0.000000 -1.019985\n0.000000 8.937952 0.000000\n0.004259 0.000000 7.772009\nCo H Se O\n4 16 4 20\ndirect\n0.153327 0.134439 0.981499 Co\n0.653327 0.365561 0.481499 Co\n0.846673 0.865561 0.018501 Co\n0.346673 0.634439 0.518501 Co\n0.006187 0.986393 0.699936 H\n0.506187 0.513607 0.199936 H\n0.993813 0.013607 0.300064 H\n0.493813 0.486393 0.800064 H\n0.058608 0.148311 0.626820 H\n0.558608 0.351689 0.126820 H\n0.941392 0.851689 0.373180 H\n0.441392 0.648311 0.873180 H\n0.168157 0.422891 0.884295 H\n0.668157 0.077109 0.384295 H\n0.831843 0.577109 0.115705 H\n0.331843 0.922891 0.615705 H\n0.931363 0.360608 0.861532 H\n0.431363 0.139392 0.361532 H\n0.068637 0.639392 0.138468 H\n0.568637 0.860608 0.638468 H\n0.897213 0.655678 0.662047 Se\n0.397213 0.844322 0.162047 Se\n0.102787 0.344322 0.337953 Se\n0.602787 0.155678 0.837953 Se\n0.817607 0.828008 0.731635 O\n0.317607 0.671992 0.231635 O\n0.182393 0.171992 0.268365 O\n0.682393 0.328008 0.768365 O\n0.829001 0.090131 0.966405 O\n0.329001 0.409869 0.466405 O\n0.170999 0.909869 0.033595 O\n0.670999 0.590131 0.533595 O\n0.038753 0.706456 0.501400 O\n0.538753 0.793544 0.001400 O\n0.961247 0.293544 0.498600 O\n0.461247 0.206456 0.998600 O\n0.115412 0.063977 0.706434 O\n0.615412 0.436023 0.206434 O\n0.884588 0.936023 0.293566 O\n0.384588 0.563977 0.793566 O\n0.072990 0.354283 0.931451 O\n0.572990 0.145717 0.431451 O\n0.927010 0.645717 0.068549 O\n0.427010 0.854283 0.568549 O\n",
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{
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{
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"spacegroup": 221
},
{
"id": "mp-691074",
"created_at": "2022-09-04T14:39:29.026286Z",
"structure_string": "Sr2 Pr2 Ga2 Cu2 O10\n1.0\n-5.830575 0.000000 0.000000\n-0.138121 -6.072562 0.000000\n2.616880 2.173164 7.436484\nSr Pr Ga Cu O\n2 2 2 2 10\ndirect\n0.174380 0.648288 0.251718 Sr\n0.698212 0.003308 0.274531 Sr\n0.363178 0.866479 0.775291 Pr\n0.869053 0.421256 0.822662 Pr\n0.773607 0.580444 0.462536 Ga\n0.298755 0.280117 0.528921 Ga\n0.511008 0.359251 0.013473 Cu\n0.992520 0.000324 0.992364 Cu\n0.170825 0.730942 0.937653 O\n0.002551 0.814562 0.514125 O\n0.972482 0.343930 0.528222 O\n0.570876 0.584397 0.242890 O\n0.747555 0.785036 0.986691 O\n0.190347 0.193825 0.940131 O\n0.846981 0.276326 0.070774 O\n0.521873 0.556085 0.572243 O\n0.321119 0.054651 0.341434 O\n0.474676 0.224781 0.744341 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
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"Pr",
"Ga",
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"O"
],
"chemical_system": "Cu-Ga-O-Pr-Sr",
"density": 5.572467841883073,
"density_atomic": 0.0683630630779579,
"volume": 263.300080329544,
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"formula_full": "Sr2 Pr2 Ga2 Cu2 O10",
"formula_reduced": "SrPrGaCuO5",
"formula_anonymous": "ABCDE5",
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"updated_at": "2021-11-28T01:34:24.044000Z",
"spacegroup": 1
},
{
"id": "mp-1218972",
"created_at": "2022-09-04T14:39:29.019345Z",
"structure_string": "Sn3 Sb1\n1.0\n1.593665 -4.236811 0.000000\n1.593665 4.236811 0.000000\n0.000000 0.000000 8.530086\nSn Sb\n3 1\ndirect\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.748906 Sn\n0.500000 0.000000 0.251094 Sn\n0.500000 0.500000 0.000000 Sb\n",
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"nelements": 2,
"elements": [
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"Sb"
],
"chemical_system": "Sb-Sn",
"density": 6.889021008595952,
"density_atomic": 0.03472485653744493,
"volume": 115.19126063736712,
"volume_molar": 17.342449647001807,
"formula_full": "Sn3 Sb1",
"formula_reduced": "Sn3Sb",
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"updated_at": "2021-11-28T01:34:38.669000Z",
"spacegroup": 21
}
]
}