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{
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"structure_string": "Ho16 Cd4 Rh4\n1.0\n8.228880 0.000000 4.750945\n2.742960 7.758262 4.750945\n0.000000 0.000000 9.501892\nHo Cd Rh\n16 4 4\ndirect\n0.435788 0.064212 0.435788 Ho\n0.810909 0.189091 0.810910 Ho\n0.435788 0.435788 0.064212 Ho\n0.435788 0.064212 0.064212 Ho\n0.064212 0.435788 0.435788 Ho\n0.189091 0.189091 0.810909 Ho\n0.189091 0.810909 0.810910 Ho\n0.649842 0.050475 0.649842 Ho\n0.064212 0.064212 0.435788 Ho\n0.649842 0.649841 0.050476 Ho\n0.649842 0.649841 0.649842 Ho\n0.810909 0.189091 0.189091 Ho\n0.050475 0.649841 0.649842 Ho\n0.189091 0.810909 0.189091 Ho\n0.064212 0.435788 0.064212 Ho\n0.810909 0.810909 0.189091 Ho\n0.418150 0.745550 0.418151 Cd\n0.418150 0.418150 0.745550 Cd\n0.418150 0.418150 0.418150 Cd\n0.745550 0.418150 0.418150 Cd\n0.857404 0.857403 0.427790 Rh\n0.857404 0.427789 0.857404 Rh\n0.427789 0.857403 0.857404 Rh\n0.857404 0.857403 0.857404 Rh\n",
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"structure_string": "Pr6 Cu2 Ge2 Se14\n1.0\n5.338457 -9.246478 0.000000\n5.338457 9.246478 0.000000\n0.000000 0.000000 6.152957\nPr Cu Ge Se\n6 2 2 14\ndirect\n0.774889 0.130909 0.748438 Pr\n0.356020 0.225111 0.748438 Pr\n0.869091 0.643980 0.748438 Pr\n0.130909 0.356020 0.248437 Pr\n0.643980 0.774889 0.248437 Pr\n0.225111 0.869091 0.248437 Pr\n0.000000 0.000000 0.219830 Cu\n0.000000 0.000000 0.719830 Cu\n0.333333 0.666667 0.830957 Ge\n0.666667 0.333333 0.330957 Ge\n0.743002 0.837978 0.730801 Se\n0.481261 0.902495 0.989027 Se\n0.905025 0.743002 0.230801 Se\n0.902495 0.421235 0.489027 Se\n0.518740 0.097506 0.489027 Se\n0.097506 0.578765 0.989027 Se\n0.094976 0.256998 0.730801 Se\n0.162023 0.905025 0.730801 Se\n0.666667 0.333333 0.948219 Se\n0.421235 0.518740 0.989027 Se\n0.837978 0.094976 0.230801 Se\n0.256998 0.162023 0.230801 Se\n0.333333 0.666667 0.448218 Se\n0.578765 0.481261 0.489027 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Ge-Pr-Se",
"density": 6.077612076141979,
"density_atomic": 0.039509840494727416,
"volume": 607.4436064403449,
"volume_molar": 15.242128757274164,
"formula_full": "Pr6 Cu2 Ge2 Se14",
"formula_reduced": "Pr3CuGeSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.430034126388889,
"spacegroup": 173
},
{
"id": "jvasp-58923",
"created_at": "2022-09-04T14:36:54.263912Z",
"updated_at": "2022-09-04T14:36:54.263936Z",
"structure_string": "K8 Hg4 S8\n1.0\n7.003709 -0.000000 0.000000\n-0.000000 8.057092 0.000000\n0.000000 0.000000 10.765852\nK Hg S\n8 4 8\ndirect\n0.750000 0.954412 0.886795 K\n0.250000 0.545588 0.886795 K\n0.500000 0.250000 0.394024 K\n0.000000 0.250000 0.394024 K\n0.500000 0.750000 0.605976 K\n0.000000 0.750000 0.605976 K\n0.250000 0.045588 0.113205 K\n0.750000 0.454412 0.113205 K\n0.250000 0.162903 0.714866 Hg\n0.250000 0.662903 0.285134 Hg\n0.750000 0.337097 0.714866 Hg\n0.750000 0.837097 0.285134 Hg\n0.750000 0.078955 0.162496 S\n0.250000 0.416266 0.605483 S\n0.750000 0.583733 0.394517 S\n0.250000 0.421045 0.162496 S\n0.250000 0.916266 0.394517 S\n0.750000 0.578955 0.837504 S\n0.250000 0.921045 0.837504 S\n0.750000 0.083734 0.605483 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
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],
"chemical_system": "Hg-K-S",
"density": 3.749235986499539,
"density_atomic": 0.03292116342714278,
"volume": 607.5119442319111,
"volume_molar": 18.292612207729196,
"formula_full": "K8 Hg4 S8",
"formula_reduced": "K2HgS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 57
}
]
}