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{
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{
"id": "mp-1196048",
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"structure_string": "Ce2 H16 S4 O24\n1.0\n5.847789 0.000000 0.000000\n2.923895 6.094502 0.000000\n2.923895 0.000000 13.534016\nCe H S O\n2 16 4 24\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.500000 0.500000 Ce\n0.736887 0.744919 0.139298 H\n0.621103 0.255081 0.860702 H\n0.518195 0.744919 0.860702 H\n0.123815 0.255081 0.139298 H\n0.013113 0.755081 0.360702 H\n0.128897 0.244919 0.639298 H\n0.231805 0.755081 0.639298 H\n0.626185 0.244919 0.360702 H\n0.669418 0.952871 0.203666 H\n0.825955 0.047129 0.796334 H\n0.377711 0.952871 0.796334 H\n0.126917 0.047129 0.203666 H\n0.080582 0.547129 0.296334 H\n0.924045 0.452871 0.703666 H\n0.372289 0.547129 0.703666 H\n0.623083 0.452871 0.296334 H\n0.057687 0.500000 0.884626 S\n0.442313 0.500000 0.115374 S\n0.692313 0.000000 0.615374 S\n0.307687 0.000000 0.384626 S\n0.084521 0.305265 0.950662 O\n0.340448 0.694735 0.049338 O\n0.610214 0.305265 0.049338 O\n0.964817 0.694735 0.950662 O\n0.665479 0.194735 0.549338 O\n0.409552 0.805265 0.450662 O\n0.139786 0.194735 0.450662 O\n0.785183 0.805265 0.549338 O\n0.314528 0.456567 0.823773 O\n0.594868 0.543433 0.176227 O\n0.228905 0.456567 0.176227 O\n0.861699 0.543433 0.823773 O\n0.435472 0.043433 0.676227 O\n0.155132 0.956567 0.323773 O\n0.521095 0.043433 0.323773 O\n0.888301 0.956567 0.676227 O\n0.766108 0.878374 0.139174 O\n0.783657 0.121626 0.860826 O\n0.355518 0.878374 0.860826 O\n0.094718 0.121626 0.139174 O\n0.983892 0.621626 0.360826 O\n0.966343 0.378374 0.639174 O\n0.394482 0.621626 0.639174 O\n0.655282 0.378374 0.360826 O\n",
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{
"id": "mp-1206251",
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"structure_string": "Ce2 Ge6 Pt1\n1.0\n0.000000 4.146722 0.000000\n4.173408 0.000000 0.000000\n0.000000 -2.073361 -11.067019\nCe Ge Pt\n2 6 1\ndirect\n0.779210 0.500000 0.558421 Ce\n0.114231 0.500000 0.228462 Ce\n0.494170 0.500000 0.988339 Ge\n0.381255 0.500000 0.762511 Ge\n0.993898 0.000000 0.987796 Ge\n0.881092 0.000000 0.762184 Ge\n0.668965 0.000000 0.337929 Ge\n0.236081 0.000000 0.472161 Ge\n0.558099 0.000000 0.116197 Pt\n",
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{
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{
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{
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"id": "mp-1226686",
"created_at": "2022-09-04T14:39:43.334328Z",
"structure_string": "Ce2 Ge2 Pt2\n1.0\n-4.421110 0.000000 0.000000\n-2.210556 -3.690374 3.937492\n2.210556 3.567287 3.817880\nCe Ge Pt\n2 2 2\ndirect\n0.766072 0.689685 0.221829 Ce\n0.233928 0.310315 0.778171 Ce\n0.068243 0.089497 0.225983 Ge\n0.931757 0.910503 0.774017 Ge\n0.529772 0.290964 0.350509 Pt\n0.470228 0.709036 0.649491 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Pt"
],
"chemical_system": "Ce-Ge-Pt",
"density": 10.888846771622047,
"density_atomic": 0.04823521576753671,
"volume": 124.39044595376565,
"volume_molar": 12.484946245545819,
"formula_full": "Ce2 Ge2 Pt2",
"formula_reduced": "CeGePt",
"formula_anonymous": "ABC",
"energy": -39.29518231,
"energy_per_atom": -6.549197051666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.29518231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.919000Z",
"spacegroup": 12
}
]
}