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"structure_string": "Ag8 P4 S14\n1.0\n6.277961 0.001224 -0.879470\n-3.036002 5.544963 -0.471534\n0.089089 -0.056535 15.931208\nAg P S\n8 4 14\ndirect\n0.204834 0.036709 0.662070 Ag\n0.795165 0.963289 0.337931 Ag\n0.125359 0.457235 0.162070 Ag\n0.193988 0.178472 0.949526 Ag\n0.728948 0.244462 0.550475 Ag\n0.806011 0.821526 0.050475 Ag\n0.271052 0.755536 0.449526 Ag\n0.874640 0.542763 0.837931 Ag\n0.563803 0.929118 0.857215 P\n0.428096 0.293411 0.357215 P\n0.436196 0.070880 0.142785 P\n0.571904 0.706587 0.642785 P\n0.469052 0.377170 0.101004 S\n0.223833 0.631951 0.601004 S\n0.530948 0.622828 0.898996 S\n0.388207 0.585950 0.323386 S\n0.250299 0.000299 0.250000 S\n0.611792 0.414048 0.676614 S\n0.182381 0.762558 0.060504 S\n0.202054 0.121876 0.439496 S\n0.817618 0.237440 0.939496 S\n0.762564 0.064821 0.176614 S\n0.749700 -0.000301 0.750000 S\n0.776166 0.368047 0.398996 S\n0.237435 0.935177 0.823386 S\n0.797945 0.878122 0.560504 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ag",
"P",
"S"
],
"chemical_system": "Ag-P-S",
"density": 4.297589148411602,
"density_atomic": 0.046867320412485876,
"volume": 554.7575532624938,
"volume_molar": 12.849338743922829,
"formula_full": "Ag8 P4 S14",
"formula_reduced": "Ag4P2S7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.6976107723076923,
"spacegroup": 15
},
{
"id": "jvasp-97614",
"created_at": "2022-09-04T14:36:00.524158Z",
"updated_at": "2022-09-04T14:36:00.524184Z",
"structure_string": "La10 Sn6 Cl2\n1.0\n9.640619 0.000000 0.000000\n-4.820310 8.349021 -0.000000\n-0.000000 0.000000 6.891458\nLa Sn Cl\n10 6 2\ndirect\n0.666667 0.333333 0.000000 La\n-0.000000 0.737983 0.750000 La\n-0.000000 0.262017 0.250000 La\n0.737983 0.737983 0.250000 La\n0.737983 -0.000000 0.750000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.262017 -0.000000 0.250000 La\n0.262017 0.262017 0.750000 La\n0.386513 0.386513 0.250000 Sn\n-0.000000 0.386513 0.750000 Sn\n0.386513 -0.000000 0.750000 Sn\n0.613487 -0.000000 0.250000 Sn\n-0.000000 0.613487 0.250000 Sn\n0.613487 0.613487 0.750000 Sn\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Sn",
"Cl"
],
"chemical_system": "Cl-La-Sn",
"density": 6.502815893973841,
"density_atomic": 0.03245046453803518,
"volume": 554.6915970617988,
"volume_molar": 18.55794931052975,
"formula_full": "La10 Sn6 Cl2",
"formula_reduced": "La5Sn3Cl",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.289882685277778,
"spacegroup": 193
}
]
}