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{
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{
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"structure_string": "K2 In1 Sb1 I6\n1.0\n7.550840 -0.000000 4.359479\n2.516947 7.119000 4.359479\n-0.000000 -0.000000 8.718959\nK In Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.754583 0.245417 0.245417 I\n0.245417 0.245417 0.754583 I\n0.245417 0.754583 0.754583 I\n0.245417 0.754583 0.245417 I\n0.754583 0.245417 0.754583 I\n0.754583 0.754583 0.245417 I\n",
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{
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"created_at": "2022-09-04T14:37:44.339160Z",
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"structure_string": "Ho2 Mo2 Cl2 O8\n1.0\n6.069703 0.004370 1.516555\n1.771509 5.805434 1.516555\n0.012837 0.009512 6.830448\nHo Mo Cl O\n2 2 2 8\ndirect\n0.221725 0.221724 0.891195 Ho\n0.778275 0.778275 0.108804 Ho\n0.637495 0.637494 0.730250 Mo\n0.362506 0.362505 0.269749 Mo\n0.008930 0.008930 0.237531 Cl\n0.991071 0.991069 0.762468 Cl\n0.542895 0.542895 0.200323 O\n0.705122 0.705121 0.462946 O\n0.509668 0.890996 0.845969 O\n0.890997 0.509667 0.845969 O\n0.294878 0.294878 0.537053 O\n0.490333 0.109003 0.154030 O\n0.109003 0.490332 0.154030 O\n0.457105 0.457104 0.799676 O\n",
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{
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"updated_at": "2022-09-04T14:37:44.729750Z",
"structure_string": "Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n",
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"structure_string": "Rb2 Nd2 W4 O16\n1.0\n6.775176 -0.009727 3.527452\n-1.726197 6.551592 3.527452\n-0.004287 -0.005555 7.690270\nRb Nd W O\n2 2 4 16\ndirect\n0.800809 0.199191 0.750000 Rb\n0.199190 0.800809 0.250000 Rb\n0.227593 0.772407 0.750000 Nd\n0.772407 0.227593 0.250000 Nd\n0.691341 0.694999 0.768093 W\n0.694999 0.691341 0.268094 W\n0.308658 0.305001 0.231906 W\n0.305000 0.308659 0.731906 W\n0.618787 0.756942 0.060400 O\n0.243057 0.381213 0.439600 O\n0.926116 0.609578 0.136601 O\n0.369223 0.581233 0.976204 O\n0.795087 0.946035 0.189930 O\n0.053964 0.204913 0.310070 O\n0.418767 0.630776 0.523795 O\n0.390421 0.073884 0.363399 O\n0.381213 0.243057 0.939600 O\n0.756943 0.618787 0.560400 O\n0.946036 0.795087 0.689930 O\n0.073884 0.390421 0.863399 O\n0.204912 0.053965 0.810070 O\n0.581233 0.369224 0.476204 O\n0.609579 0.926116 0.636601 O\n0.630776 0.418767 0.023795 O\n",
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"created_at": "2022-09-04T14:37:52.490094Z",
"updated_at": "2022-09-04T14:37:52.490102Z",
"structure_string": "Na4 Li2 Be4 F14\n1.0\n7.600023 0.000000 0.000000\n-0.000000 7.600023 -0.000000\n0.000000 0.000000 4.831777\nNa Li Be F\n4 2 4 14\ndirect\n0.834859 0.665140 0.492705 Na\n0.334859 0.834859 0.507296 Na\n0.665140 0.165141 0.507296 Na\n0.165141 0.334859 0.492705 Na\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.858311 0.358312 0.931799 Be\n0.358312 0.141688 0.068202 Be\n0.141688 0.641688 0.931799 Be\n0.641688 0.858311 0.068202 Be\n0.182815 0.083711 0.207304 F\n0.083711 0.817184 0.792697 F\n0.641929 0.858071 0.750831 F\n0.141929 0.641929 0.249170 F\n0.858071 0.358071 0.249170 F\n0.358071 0.141929 0.750831 F\n0.416289 0.317185 0.207304 F\n0.000000 0.500000 0.819548 F\n0.682815 0.416289 0.792697 F\n0.317185 0.583710 0.792697 F\n0.817184 0.916289 0.207304 F\n0.583710 0.682815 0.207304 F\n0.500000 0.000000 0.180452 F\n0.916289 0.182815 0.792697 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Li",
"Be",
"F"
],
"chemical_system": "Be-F-Li-Na",
"density": 2.4267858259337434,
"density_atomic": 0.08599526642920571,
"volume": 279.0851287117952,
"volume_molar": 7.002874704688119,
"formula_full": "Na4 Li2 Be4 F14",
"formula_reduced": "Na2LiBe2F7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 0.0,
"spacegroup": 113
}
]
}