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"id": "jvasp-29671",
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{
"id": "jvasp-29680",
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{
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"structure_string": "Cd10 I20\n1.0\n4.287139 -0.000000 0.000000\n-2.143570 3.712772 -0.000000\n0.000000 -0.000000 68.779699\nCd I\n10 20\ndirect\n0.333333 0.666667 0.325016 Cd\n0.333333 0.666667 0.225025 Cd\n0.333333 0.666667 0.724990 Cd\n0.333333 0.666667 0.424968 Cd\n0.000000 0.000000 0.124986 Cd\n0.000000 0.000000 0.624984 Cd\n0.000000 0.000000 0.525010 Cd\n0.000000 0.000000 0.824993 Cd\n0.000000 0.000000 0.924982 Cd\n0.333333 0.666667 0.024979 Cd\n0.666667 0.333333 0.050199 I\n0.666667 0.333333 0.250235 I\n0.000000 0.000000 0.699797 I\n0.000000 0.000000 -0.000213 I\n0.333333 0.666667 0.899787 I\n0.666667 0.333333 0.850205 I\n0.333333 0.666667 0.099792 I\n0.666667 0.333333 0.150207 I\n0.666667 0.333333 0.950201 I\n0.666667 0.333333 0.650205 I\n0.000000 0.000000 0.199824 I\n0.666667 0.333333 0.350224 I\n0.000000 0.000000 0.299815 I\n0.333333 0.666667 0.599790 I\n0.666667 0.333333 0.550222 I\n0.333333 0.666667 0.799795 I\n0.666667 0.333333 0.450189 I\n0.000000 0.000000 0.399775 I\n0.666667 0.333333 0.750209 I\n0.333333 0.666667 0.499809 I\n",
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{
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"structure_string": "Cd10 I20\n1.0\n4.287242 0.000000 -0.000000\n-2.143621 3.712861 0.000000\n-0.000000 -0.000000 68.763770\nCd I\n10 20\ndirect\n0.000000 0.000000 0.924982 Cd\n0.000000 0.000000 0.825006 Cd\n0.000000 0.000000 0.125003 Cd\n0.000000 0.000000 0.524979 Cd\n0.000000 0.000000 0.324997 Cd\n0.000000 0.000000 0.624998 Cd\n0.666667 0.333333 0.024987 Cd\n0.000000 0.000000 0.424989 Cd\n0.000000 0.000000 0.725020 Cd\n0.000000 0.000000 0.225016 Cd\n0.333333 0.666667 0.550191 I\n0.333333 0.666667 0.650211 I\n0.333333 0.666667 0.850217 I\n0.666667 0.333333 0.499773 I\n0.333333 0.666667 0.250226 I\n0.666667 0.333333 0.399782 I\n0.333333 0.666667 0.150216 I\n0.666667 0.333333 0.299788 I\n0.000000 0.000000 0.999787 I\n0.333333 0.666667 0.950203 I\n0.333333 0.666667 0.050207 I\n0.666667 0.333333 0.799797 I\n0.666667 0.333333 0.699811 I\n0.666667 0.333333 0.199808 I\n0.666667 0.333333 0.899780 I\n0.666667 0.333333 0.099796 I\n0.333333 0.666667 0.350209 I\n0.333333 0.666667 0.450201 I\n0.666667 0.333333 0.599788 I\n0.333333 0.666667 0.750230 I\n",
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{
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"structure_string": "Cd10 I20\n1.0\n4.286475 -0.000000 -0.000000\n-2.143237 3.712196 -0.000000\n0.000000 -0.000000 68.800205\nCd I\n10 20\ndirect\n0.333333 0.666668 0.624985 Cd\n0.666666 0.333333 0.425005 Cd\n0.000000 0.000000 0.124991 Cd\n0.000000 0.000000 0.324996 Cd\n0.666666 0.333333 0.024993 Cd\n0.333333 0.666668 0.525012 Cd\n0.000000 0.000000 0.824999 Cd\n0.000000 0.000000 0.924976 Cd\n0.666666 0.333333 0.224996 Cd\n0.666666 0.333333 0.725002 Cd\n0.333333 0.666668 0.050207 I\n0.666666 0.333333 0.550211 I\n0.333333 0.666668 0.850205 I\n0.000000 0.000000 0.699801 I\n0.000000 0.000000 0.999801 I\n0.333333 0.666668 0.250213 I\n0.333333 0.666668 0.150205 I\n0.666666 0.333333 0.299803 I\n0.666666 0.333333 0.799802 I\n0.666666 0.333333 0.899782 I\n0.000000 0.000000 0.199804 I\n0.000000 0.000000 0.599785 I\n0.333333 0.666668 0.350211 I\n0.333333 0.666668 0.750211 I\n0.666666 0.333333 0.099799 I\n0.333333 0.666668 0.950190 I\n0.333333 0.666668 0.450210 I\n0.666666 0.333333 0.650188 I\n0.000000 0.000000 0.399808 I\n0.000000 0.000000 0.499805 I\n",
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"structure_string": "Cd10 I20\n1.0\n4.286487 0.000000 -0.000000\n-2.143244 3.712207 0.000000\n-0.000000 -0.000000 68.783737\nCd I\n10 20\ndirect\n0.666668 0.333333 0.524992 Cd\n0.000000 0.000000 0.124988 Cd\n0.000000 0.000000 0.324988 Cd\n0.666668 0.333333 0.024994 Cd\n0.000000 0.000000 0.924979 Cd\n0.000000 0.000000 0.624983 Cd\n0.000000 0.000000 0.825001 Cd\n0.666668 0.333333 0.724991 Cd\n0.666668 0.333333 0.224988 Cd\n0.666668 0.333333 0.425008 Cd\n0.666668 0.333333 0.599789 I\n0.666668 0.333333 0.799800 I\n0.333334 0.666668 0.650208 I\n0.333334 0.666668 0.850218 I\n0.000000 0.000000 0.699797 I\n0.000000 0.000000 -0.000202 I\n0.333334 0.666668 0.250214 I\n0.333334 0.666668 0.150212 I\n0.333334 0.666668 0.550216 I\n0.666668 0.333333 0.899781 I\n0.333334 0.666668 0.050218 I\n0.000000 0.000000 0.399807 I\n0.333334 0.666668 0.350213 I\n0.333334 0.666668 0.750216 I\n0.666668 0.333333 0.099793 I\n0.333334 0.666668 0.950204 I\n0.333334 0.666668 0.450225 I\n0.000000 0.000000 0.199794 I\n0.666668 0.333333 0.299792 I\n0.000000 0.000000 0.499795 I\n",
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{
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"structure_string": "Cd10 S8 Cl4\n1.0\n6.631685 -0.000180 -0.000039\n-3.315465 -9.523384 0.127907\n-3.315603 1.052777 -9.466112\nCd S Cl\n10 8 4\ndirect\n0.000207 0.750061 0.249945 Cd\n0.999793 0.249938 0.750055 Cd\n0.304715 0.055088 0.554504 Cd\n0.695178 0.445185 0.945237 Cd\n0.695285 0.944911 0.445496 Cd\n0.304822 0.554814 0.054762 Cd\n0.404564 0.601187 0.601266 Cd\n0.595436 0.398812 0.398734 Cd\n0.202366 0.898697 0.898630 Cd\n0.797634 0.101303 0.101370 Cd\n0.049428 0.694765 0.017460 S\n0.950303 0.982355 0.305242 S\n0.336998 0.805243 0.482578 S\n0.662951 0.517634 0.194759 S\n0.337049 0.482365 0.805240 S\n0.049697 0.017644 0.694758 S\n0.663002 0.194756 0.517422 S\n0.950572 0.305234 0.982540 S\n0.806924 0.608771 0.608592 Cl\n0.589930 0.891284 0.891514 Cl\n0.410069 0.108715 0.108486 Cl\n0.193076 0.391228 0.391408 Cl\n",
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{
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{
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"structure_string": "Cd12 I24\n1.0\n4.287218 -0.000000 0.000000\n-2.143610 3.712840 0.000000\n0.000000 -0.000000 82.519090\nCd I\n12 24\ndirect\n0.333333 0.666667 0.687505 Cd\n0.333333 0.666667 0.520842 Cd\n0.333333 0.666667 0.437496 Cd\n0.333333 0.666667 0.937483 Cd\n0.333333 0.666667 0.854189 Cd\n0.333333 0.666667 0.104173 Cd\n0.333333 0.666667 0.187503 Cd\n0.333333 0.666667 0.604163 Cd\n0.333333 0.666667 0.270824 Cd\n0.666667 0.333333 0.770835 Cd\n0.666667 0.333333 0.020851 Cd\n0.333333 0.666667 0.354177 Cd\n0.000000 0.000000 0.916472 I\n0.666667 0.333333 0.541849 I\n0.000000 0.000000 0.749816 I\n0.666667 0.333333 0.291832 I\n0.000000 0.000000 0.333167 I\n0.666667 0.333333 0.958488 I\n0.000000 0.000000 0.083154 I\n0.000000 0.000000 0.499831 I\n0.333333 0.666667 0.041850 I\n0.000000 0.000000 0.833169 I\n0.666667 0.333333 0.875189 I\n0.666667 0.333333 0.125173 I\n0.666667 0.333333 0.625168 I\n0.000000 0.000000 0.666492 I\n0.000000 0.000000 0.583150 I\n0.000000 0.000000 0.249815 I\n0.666667 0.333333 0.375184 I\n0.000000 0.000000 0.416485 I\n0.666667 0.333333 0.458502 I\n0.333333 0.666667 0.791833 I\n0.666667 0.333333 0.708508 I\n0.000000 0.000000 0.166492 I\n0.666667 0.333333 0.208509 I\n0.000000 0.000000 0.999831 I\n",
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{
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"structure_string": "Cd1 Ag1\n1.0\n3.372443 -0.000000 -0.000000\n0.000000 3.372443 0.000000\n0.000000 0.000000 3.372443\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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},
{
"id": "jvasp-106372",
"created_at": "2022-09-04T14:38:40.227804Z",
"updated_at": "2022-09-04T14:38:40.227834Z",
"structure_string": "Cd1 Ag1\n1.0\n2.894306 -0.009336 4.218387\n1.301145 2.585365 4.218387\n-0.015205 -0.009336 5.115815\nCd Ag\n1 1\ndirect\n0.500001 0.499999 0.500001 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd",
"density": 9.483071411448753,
"density_atomic": 0.051850915471466856,
"volume": 38.57212513635529,
"volume_molar": 11.614338349173288,
"formula_full": "Cd1 Ag1",
"formula_reduced": "CdAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.35632125,
"spacegroup": 166
}
]
}