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  1. Third-Parties
  2. MatprojStructure
  3. mp-558243

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-558243
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ba', 'In', 'Cl', 'O']
  • Chemical System: Ba-Cl-In-O
  • Density: 5.593632403733022
  • Atomic Density: 0.04985999670693447
  • Unit Cell Volume: 280.7862199086928
  • Molar Volume: 12.078100998274731
  • Full Formula: Ba4 In2 Cl2 O6
  • Reduced Formula: Ba2InClO3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -83.62539810999999
  • Final energy per atom: -5.973242722142857
  • 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.