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{
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{
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{
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"structure_string": "As8 Ir4\n1.0\n0.000000 6.159130 -0.002903\n6.163605 0.000000 0.000000\n0.000000 -2.447890 -5.760492\nAs Ir\n8 4\ndirect\n0.846066 0.126879 0.126173 As\n0.153934 0.626879 0.373826 As\n0.153934 0.873120 0.873826 As\n0.846066 0.373121 0.626173 As\n0.661566 0.629525 0.816363 As\n0.338433 0.129525 0.683635 As\n0.338433 0.370475 0.183636 As\n0.661566 0.870474 0.316364 As\n0.727908 0.500177 0.208843 Ir\n0.272092 0.000177 0.291156 Ir\n0.272092 0.499822 0.791156 Ir\n0.727908 0.999822 0.708843 Ir\n",
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{
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"structure_string": "Na4 Li2 Al2 F12\n1.0\n0.000000 5.269209 -0.002274\n5.383327 0.000000 0.000000\n0.000000 -5.251449 -7.486539\nNa Li Al F\n4 2 2 12\ndirect\n0.760500 0.954614 0.750188 Na\n0.239500 0.045386 0.249811 Na\n0.760500 0.545386 0.250188 Na\n0.239500 0.454614 0.749812 Na\n-0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 -0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.266505 0.778114 0.456602 F\n0.819578 0.694181 0.540010 F\n0.180422 0.305820 0.459989 F\n0.819578 0.805820 0.040010 F\n0.733495 0.221887 0.543397 F\n0.343667 0.477977 0.263063 F\n0.656333 0.522023 0.736937 F\n0.656333 0.977978 0.236937 F\n0.733495 0.278114 0.043397 F\n0.343667 0.022023 0.763063 F\n0.180422 0.194180 0.959989 F\n0.266505 0.721887 0.956602 F\n",
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{
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"structure_string": "I8 O20\n1.0\n5.078090 0.000000 0.000000\n0.000000 7.716862 -2.421584\n0.000000 -0.025025 11.039905\nI O\n8 20\ndirect\n0.121170 0.213657 0.125800 I\n0.878830 0.786342 0.874200 I\n0.378830 0.713657 0.125801 I\n0.667871 0.156291 0.374054 I\n0.167871 0.343708 0.625947 I\n0.332129 0.843708 0.625947 I\n0.832129 0.656291 0.374054 I\n0.621170 0.286342 0.874200 I\n0.660290 0.841543 0.494607 O\n0.160290 0.658456 0.505394 O\n0.339710 0.158456 0.505394 O\n0.839710 0.341543 0.494607 O\n0.466517 0.940035 0.193391 O\n0.966517 0.559964 0.806609 O\n0.525363 0.621730 0.253287 O\n0.660757 0.650690 0.015412 O\n0.160757 0.849309 0.984588 O\n0.339243 0.349309 0.984588 O\n0.839243 0.150690 0.015412 O\n0.490591 0.302125 0.308909 O\n0.990591 0.197874 0.691092 O\n0.509409 0.697874 0.691092 O\n0.009409 0.802125 0.308909 O\n0.974637 0.121730 0.253287 O\n0.474637 0.378269 0.746714 O\n0.025363 0.878269 0.746714 O\n0.033483 0.440035 0.193391 O\n0.533483 0.059964 0.806609 O\n",
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{
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{
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{
"id": "jvasp-29294",
"created_at": "2022-09-04T14:38:01.498356Z",
"updated_at": "2022-09-04T14:38:01.498381Z",
"structure_string": "In8 Te8 Cl8\n1.0\n7.168749 -0.141130 0.000000\n-0.421874 7.425980 0.000000\n0.000000 0.000000 14.258320\nIn Te Cl\n8 8 8\ndirect\n0.125797 0.793128 0.025362 In\n0.374204 0.206872 0.525362 In\n0.874204 0.206872 0.974638 In\n0.625797 0.793128 0.474638 In\n0.127008 0.815002 0.312886 In\n0.372993 0.184999 0.812886 In\n0.872993 0.184999 0.687114 In\n0.627008 0.815002 0.187114 In\n0.768850 0.594098 0.327245 Te\n0.731151 0.405902 0.827245 Te\n0.231151 0.405902 0.672755 Te\n0.268850 0.594098 0.172755 Te\n0.765639 0.163455 0.495791 Te\n0.734362 0.836546 0.995791 Te\n0.234362 0.836545 0.504209 Te\n0.265639 0.163455 0.004209 Te\n0.980981 0.064456 0.234524 Cl\n0.519020 0.935544 0.734524 Cl\n0.019020 0.935544 0.765476 Cl\n0.480980 0.064456 0.265476 Cl\n0.264871 0.387332 0.396204 Cl\n0.235129 0.612668 0.896204 Cl\n0.735130 0.612668 0.603796 Cl\n0.764871 0.387332 0.103796 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"In",
"Te",
"Cl"
],
"chemical_system": "Cl-In-Te",
"density": 4.868585448295813,
"density_atomic": 0.03165422827339724,
"volume": 758.19254832916,
"volume_molar": 19.024759371755433,
"formula_full": "In8 Te8 Cl8",
"formula_reduced": "InTeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}