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"formula_full": "Li12 As4 S12",
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{
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"created_at": "2022-09-04T14:39:42.273479Z",
"structure_string": "Rh2 Cl6\n1.0\n5.274281 3.046505 0.000000\n-5.274281 3.046505 0.000000\n0.000000 2.029950 6.196888\nRh Cl\n2 6\ndirect\n0.166683 0.833317 0.000000 Rh\n0.833317 0.166683 0.000000 Rh\n0.429396 0.075621 0.211860 Cl\n0.924379 0.570604 0.788140 Cl\n0.216837 0.216837 0.787697 Cl\n0.783163 0.783163 0.212303 Cl\n0.075621 0.429396 0.211860 Cl\n0.570604 0.924379 0.788140 Cl\n",
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{
"id": "mp-16964",
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"structure_string": "Si12 O24\n1.0\n7.032264 -8.844158 0.000000\n7.032264 8.844158 0.000000\n0.000000 0.000000 5.119372\nSi O\n12 24\ndirect\n0.416778 0.994718 0.509208 Si\n0.583222 0.005282 0.009208 Si\n0.005282 0.583222 0.509208 Si\n0.994718 0.416778 0.009208 Si\n0.656412 0.753589 0.084560 Si\n0.343588 0.246411 0.584560 Si\n0.246411 0.343588 0.084560 Si\n0.753589 0.656412 0.584560 Si\n0.274180 0.725820 0.607883 Si\n0.725820 0.274180 0.107883 Si\n0.377355 0.622645 0.107408 Si\n0.622645 0.377355 0.607408 Si\n0.350061 0.107222 0.524801 O\n0.649939 0.892778 0.024801 O\n0.892778 0.649939 0.524801 O\n0.107222 0.350061 0.024801 O\n0.522555 0.663537 0.059005 O\n0.477445 0.336463 0.559005 O\n0.336463 0.477445 0.059005 O\n0.663537 0.522555 0.559005 O\n0.306321 0.693679 0.905539 O\n0.693679 0.306321 0.405539 O\n0.314939 0.871389 0.565318 O\n0.685061 0.128611 0.065318 O\n0.654542 0.345458 0.905796 O\n0.345458 0.654542 0.405796 O\n0.987613 0.472000 0.717851 O\n0.012387 0.528000 0.217851 O\n0.528000 0.012387 0.717851 O\n0.472000 0.987613 0.217851 O\n0.747139 0.710144 0.877343 O\n0.252861 0.289856 0.377343 O\n0.289856 0.252861 0.877343 O\n0.710144 0.747139 0.377343 O\n0.871389 0.314939 0.065318 O\n0.128611 0.685061 0.565318 O\n",
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{
"id": "mp-1042186",
"created_at": "2022-09-04T14:39:42.296741Z",
"structure_string": "Ba1 Al1 Cu2 O5\n1.0\n3.710361 0.000000 0.000000\n0.000000 3.710361 0.000000\n0.000000 0.000000 7.743097\nBa Al Cu O\n1 1 2 5\ndirect\n0.500000 0.500000 0.978871 Ba\n0.500000 0.500000 0.470038 Al\n0.000000 0.000000 0.687885 Cu\n0.000000 0.000000 0.245701 Cu\n0.500000 0.000000 0.616575 O\n0.000000 0.500000 0.616575 O\n0.500000 0.000000 0.306144 O\n0.000000 0.500000 0.306144 O\n0.000000 0.000000 0.959975 O\n",
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{
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"structure_string": "Cu12 As4 S12\n1.0\n-4.982689 4.982689 4.982689\n4.982689 -4.982689 4.982689\n4.982689 4.982689 -4.982689\nCu As S\n12 4 12\ndirect\n0.250000 0.750000 0.500000 Cu\n0.500000 0.250000 0.750000 Cu\n0.500000 0.750000 0.250000 Cu\n0.250000 0.500000 0.750000 Cu\n0.750000 0.500000 0.250000 Cu\n0.750000 0.250000 0.500000 Cu\n0.182101 0.182101 0.000000 Cu\n0.000000 0.817899 0.817899 Cu\n0.000000 0.182101 0.182101 Cu\n0.182101 0.000000 0.182101 Cu\n0.817899 0.000000 0.817899 Cu\n0.817899 0.817899 0.000000 Cu\n0.525495 0.525495 0.525495 As\n0.000000 0.000000 0.474505 As\n0.474505 0.000000 0.000000 As\n0.000000 0.474505 0.000000 As\n0.466601 0.227971 0.466601 S\n0.761371 0.000000 0.533399 S\n0.533399 0.000000 0.761371 S\n0.761371 0.533399 0.000000 S\n0.238629 0.238629 0.772029 S\n0.772029 0.238629 0.238629 S\n0.000000 0.533399 0.761371 S\n0.000000 0.761371 0.533399 S\n0.533399 0.761371 0.000000 S\n0.466601 0.466601 0.227971 S\n0.227971 0.466601 0.466601 S\n0.238629 0.772029 0.238629 S\n",
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{
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{
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{
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{
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}