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"structure_string": "Zn1 H10 C7 O4\n1.0\n3.894466 -0.249180 -0.520560\n-1.490020 4.498564 -0.001907\n-0.393737 0.143565 10.778183\nZn H C O\n1 10 7 4\ndirect\n0.156046 0.121790 0.186327 Zn\n0.440591 0.244354 0.553004 H\n0.374722 0.305380 0.788915 H\n0.833180 0.321954 0.839432 H\n0.071985 0.777161 0.707503 H\n0.614810 0.758085 0.656397 H\n0.573358 0.844550 0.879616 H\n0.019864 0.851149 0.932476 H\n0.704362 0.700805 0.426657 H\n0.160602 0.719157 0.484198 H\n0.889821 0.248876 0.610018 H\n0.827044 0.352036 0.353053 C\n0.869515 0.562636 0.462410 C\n0.733926 0.396253 0.578665 C\n0.779964 0.617204 0.686846 C\n0.667575 0.461247 0.807632 C\n0.727759 0.695951 0.911830 C\n0.605429 0.576943 0.034763 C\n0.717811 0.753113 0.132918 O\n0.081928 0.431143 0.286288 O\n0.537991 0.106048 0.330325 O\n0.373857 0.302588 0.034975 O\n",
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"structure_string": "Rb8 Yb2 I12\n1.0\n9.937687 0.003515 0.078514\n0.077924 9.937382 0.078514\n0.003542 0.003515 9.937996\nYb Rb I\n2 8 12\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.131455 0.750000 0.368545 Rb\n0.750000 0.368546 0.131454 Rb\n0.368545 0.131455 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.250000 0.631455 0.868545 Rb\n0.631455 0.868545 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.868545 0.250001 0.631455 Rb\n0.558603 0.199938 0.429619 I\n0.699938 0.058604 0.929620 I\n0.441396 0.800063 0.570380 I\n0.929620 0.699938 0.058603 I\n0.570380 0.441397 0.800062 I\n0.800062 0.570381 0.441396 I\n0.429619 0.558604 0.199938 I\n0.941397 0.070381 0.300062 I\n0.300062 0.941397 0.070380 I\n0.070380 0.300063 0.941397 I\n0.199938 0.429620 0.558603 I\n0.058603 0.929620 0.699938 I\n",
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"created_at": "2022-09-04T14:36:58.992695Z",
"updated_at": "2022-09-04T14:36:58.992706Z",
"structure_string": "K12 Cd2 Te8\n1.0\n5.553539 -9.619012 0.000000\n5.553539 9.619012 -0.000000\n0.000000 0.000000 8.161563\nK Cd Te\n12 2 8\ndirect\n0.042276 0.521138 0.022458 K\n0.849966 0.699934 0.212431 K\n0.150034 0.849966 0.712431 K\n0.849966 0.150034 0.212431 K\n0.300067 0.150034 0.212431 K\n0.150034 0.300067 0.712431 K\n0.699934 0.849966 0.712431 K\n0.478862 0.521138 0.022458 K\n0.478862 0.957724 0.022458 K\n0.521138 0.042276 0.522458 K\n0.521138 0.478862 0.522458 K\n0.957724 0.478862 0.522458 K\n0.333333 0.666667 0.398012 Cd\n0.666667 0.333333 0.898012 Cd\n0.333333 0.666667 0.753421 Te\n0.189761 0.379523 0.292793 Te\n0.379523 0.189761 0.792793 Te\n0.810239 0.189761 0.792793 Te\n0.189761 0.810239 0.292793 Te\n0.620478 0.810239 0.292793 Te\n0.810239 0.620478 0.792793 Te\n0.666667 0.333333 0.253421 Te\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Cd",
"Te"
],
"chemical_system": "Cd-K-Te",
"density": 3.265572663974255,
"density_atomic": 0.025230104842896024,
"volume": 871.9741807253918,
"volume_molar": 23.868869342790855,
"formula_full": "K12 Cd2 Te8",
"formula_reduced": "K6CdTe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
}
]
}