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  1. Third-Parties
  2. MatprojStructure
  3. mp-569635

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-569635
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'In', 'Cl']
  • Chemical System: Ba-Cl-In-Zn
  • Density: 3.470851677034719
  • Atomic Density: 0.033158345046371045
  • Unit Cell Volume: 3498.365187942195
  • Molar Volume: 18.161765165234268
  • Full Formula: Ba24 Zn4 In8 Cl80
  • Reduced Formula: Ba6Zn(InCl10)2
  • Formula Anonymous: AB2C6D20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -501.80174738000005
  • Final energy per atom: -4.325877132586207
  • 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.