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  1. Third-Parties
  2. MatprojStructure
  3. mp-552806

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-552806
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Bi', 'Cl', 'O']
  • Chemical System: Ba-Bi-Cl-O
  • Density: 5.919370303186048
  • Atomic Density: 0.043077327572014344
  • Unit Cell Volume: 232.14067732689642
  • Molar Volume: 13.979838349843108
  • Full Formula: Ba2 Bi2 Cl2 O4
  • Reduced Formula: BaBiClO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -59.19708493
  • Final energy per atom: -5.919708493
  • 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.