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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103164

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1103164
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Ca', 'Ga', 'Cl', 'O']
  • Chemical System: Ca-Cl-Ga-O
  • Density: 2.486814925627792
  • Atomic Density: 0.05735582304265265
  • Unit Cell Volume: 209.22025634740174
  • Molar Volume: 10.499615279727808
  • Full Formula: Ca2 Ga1 Cl1 O8
  • Reduced Formula: Ca2GaClO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -59.45983423
  • Final energy per atom: -4.9549861858333335
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.