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{
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"structure_string": "Cr2 Sb1 Te1\n1.0\n2.119432 -3.670964 0.000000\n2.119432 3.670964 0.000000\n0.000000 0.000000 4.851599\nCr Sb Te\n2 1 1\ndirect\n0.000000 0.000000 0.737479 Cr\n0.000000 0.000000 0.262521 Cr\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.000000 Te\n",
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{
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"structure_string": "Al3 Zn1 Ni12\n1.0\n3.569647 0.000000 0.000000\n0.000000 3.569647 0.000000\n0.000000 0.000000 14.263181\nAl Zn Ni\n3 1 12\ndirect\n0.000000 0.000000 0.249880 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.750120 Al\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.250089 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.749911 Ni\n0.500000 0.000000 0.125267 Ni\n0.500000 0.000000 0.374976 Ni\n0.500000 0.000000 0.625024 Ni\n0.500000 0.000000 0.874733 Ni\n0.000000 0.500000 0.125267 Ni\n0.000000 0.500000 0.374976 Ni\n0.000000 0.500000 0.625024 Ni\n0.000000 0.500000 0.874733 Ni\n",
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{
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"structure_string": "Sr2 Yb1 Cu2 Bi2 O8\n1.0\n-1.864387 1.864387 15.693661\n1.864387 -1.864387 15.693661\n1.864387 1.864387 -15.693661\nSr Yb Cu Bi O\n2 1 2 2 8\ndirect\n0.108315 0.108315 0.000000 Sr\n0.891685 0.891685 0.000000 Sr\n0.000000 0.000000 0.000000 Yb\n0.454809 0.454809 0.000000 Cu\n0.545191 0.545191 0.000000 Cu\n0.300238 0.300238 0.000000 Bi\n0.699762 0.699762 0.000000 Bi\n0.549481 0.049481 0.500000 O\n0.450519 0.950519 0.500000 O\n0.049481 0.549481 0.500000 O\n0.950519 0.450519 0.500000 O\n0.199168 0.199168 0.000000 O\n0.800832 0.800832 0.000000 O\n0.365943 0.365943 0.000000 O\n0.634057 0.634057 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:41:48.812026Z",
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{
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"structure_string": "Dy2 Zn17\n1.0\n5.111856 -4.483908 0.000000\n5.111856 4.483908 0.000000\n1.178760 0.000000 6.696792\nDy Zn\n2 17\ndirect\n0.665123 0.665123 0.665123 Dy\n0.334877 0.334877 0.334877 Dy\n0.351860 0.351860 0.838072 Zn\n0.838072 0.351860 0.351860 Zn\n0.099950 0.099950 0.099950 Zn\n0.900050 0.900050 0.900050 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.297486 0.702514 0.000000 Zn\n0.702514 0.000000 0.297486 Zn\n0.000000 0.297486 0.702514 Zn\n0.702514 0.297486 0.000000 Zn\n0.297486 0.000000 0.702514 Zn\n0.000000 0.702514 0.297486 Zn\n0.161928 0.648140 0.648140 Zn\n0.648140 0.648140 0.161928 Zn\n0.648140 0.161928 0.648140 Zn\n0.351860 0.838072 0.351860 Zn\n",
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{
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"structure_string": "Co1 Te1 Pb2 O4\n1.0\n-2.776936 2.854954 4.771046\n2.344691 -2.854954 4.930693\n2.776936 2.854954 -4.771046\nCo Te Pb O\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Te\n0.243153 0.756267 0.513114 Pb\n0.756847 0.243733 0.486886 Pb\n0.665488 0.126534 0.983761 O\n0.857227 0.873466 0.538954 O\n0.334512 0.873466 0.016239 O\n0.142773 0.126534 0.461046 O\n",
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{
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{
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{
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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.88690948,
"band_gap": 2.3509,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.502000Z",
"spacegroup": 2
}
]
}