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"structure_string": "Li3 Cr3 Fe1 O8\n1.0\n2.826465 1.643819 4.736856\n5.755699 -0.022725 -0.016113\n2.826465 5.013949 -0.016113\nLi Cr Fe O\n3 3 1 8\ndirect\n0.500004 0.999999 1.000000 Li\n1.000001 0.999999 0.500003 Li\n1.000001 0.500003 0.999999 Li\n0.500001 0.999999 0.500001 Cr\n0.500001 0.500000 0.999999 Cr\n1.000000 0.500000 0.500000 Cr\n0.500000 0.499999 0.499999 Fe\n0.257225 0.257224 0.257224 O\n0.718369 0.265808 0.265807 O\n0.265808 0.265808 0.718368 O\n0.265808 0.718368 0.265808 O\n0.734194 0.281633 0.734193 O\n0.734194 0.734193 0.281633 O\n0.281634 0.734193 0.734193 O\n0.742775 0.742773 0.742773 O\n",
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"structure_string": "Zn1 Cu2 Si1 Te4\n1.0\n6.040289 -0.000000 0.000000\n-0.000000 6.040289 0.000000\n-3.020145 -3.020145 6.000066\nZn Cu Si Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Si\n0.872008 0.872008 0.259633 Te\n0.387625 0.387625 0.259633 Te\n0.127992 0.612374 0.740368 Te\n0.612374 0.127992 0.740368 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cu-Si-Te-Zn",
"density": 5.544814097878645,
"density_atomic": 0.03654420539585567,
"volume": 218.9129552371454,
"volume_molar": 16.47905788282086,
"formula_full": "Zn1 Cu2 Si1 Te4",
"formula_reduced": "ZnCu2SiTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.6146651208333334,
"spacegroup": 121
},
{
"id": "jvasp-98932",
"created_at": "2022-09-04T14:35:46.208492Z",
"updated_at": "2022-09-04T14:35:46.208517Z",
"structure_string": "Na8 H16 S8 O32\n1.0\n6.416399 0.000000 -0.000000\n0.000000 10.639703 0.000000\n0.000000 0.000000 10.516697\nNa H S O\n8 16 8 32\ndirect\n0.563744 0.059440 0.653774 Na\n0.063744 0.440560 0.846226 Na\n0.436256 0.559440 0.346226 Na\n0.936256 0.940560 0.153774 Na\n0.436256 0.940560 0.346226 Na\n0.936256 0.559440 0.153774 Na\n0.563744 0.440560 0.653774 Na\n0.063744 0.059440 0.846226 Na\n0.215940 0.124719 0.227165 H\n0.715940 0.375281 0.272835 H\n0.784060 0.624719 0.772835 H\n0.284060 0.875281 0.727165 H\n0.784060 0.875281 0.772835 H\n0.284060 0.624719 0.727165 H\n0.215940 0.375281 0.227165 H\n0.715940 0.124719 0.272835 H\n0.681021 0.568224 0.895347 H\n0.818979 0.431775 0.395347 H\n0.181021 0.931775 0.604653 H\n0.681021 0.931775 0.895347 H\n0.181021 0.568224 0.604653 H\n0.318979 0.431775 0.104653 H\n0.818979 0.068225 0.395347 H\n0.318979 0.068225 0.104653 H\n0.992396 0.250000 0.591667 S\n0.507605 0.750000 0.091667 S\n0.492396 0.250000 0.908333 S\n0.007605 0.750000 0.408333 S\n0.246278 0.750000 0.954479 S\n0.253722 0.250000 0.454479 S\n0.753722 0.250000 0.045521 S\n0.746279 0.750000 0.545521 S\n0.620282 0.866508 0.061647 O\n0.120282 0.633491 0.438353 O\n0.379718 0.366508 0.938353 O\n0.879718 0.133492 0.561647 O\n0.585390 0.250000 0.780473 O\n0.085390 0.250000 0.719527 O\n0.914610 0.750000 0.280473 O\n0.756153 0.044835 0.313541 O\n0.256153 0.455165 0.186459 O\n0.243847 0.544835 0.686459 O\n0.743847 0.955165 0.813541 O\n0.243847 0.955165 0.686459 O\n0.743847 0.544835 0.813541 O\n0.414610 0.750000 0.219527 O\n0.120282 0.866508 0.438353 O\n0.879718 0.366508 0.561647 O\n0.379718 0.133492 0.938353 O\n0.856937 0.750000 0.668817 O\n0.356937 0.750000 0.831184 O\n0.143063 0.250000 0.331183 O\n0.643063 0.250000 0.168817 O\n0.370590 0.134151 0.478367 O\n0.870590 0.365849 0.021633 O\n0.629410 0.634151 0.521633 O\n0.129410 0.865849 0.978367 O\n0.629410 0.865849 0.521633 O\n0.129410 0.634151 0.978367 O\n0.370590 0.365849 0.478367 O\n0.870590 0.134151 0.021633 O\n0.756153 0.455165 0.313541 O\n0.620282 0.633491 0.061647 O\n0.256153 0.044835 0.186459 O\n",
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],
"chemical_system": "H-Na-O-S",
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"density_atomic": 0.08914146041913357,
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"formula_full": "Na8 H16 S8 O32",
"formula_reduced": "NaH2SO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 62
}
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}