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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205126

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-1205126
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 3
  • Element list: ['Ba', 'Pr', 'Br']
  • Chemical System: Ba-Br-Pr
  • Density: 4.769894133171995
  • Atomic Density: 0.029334870391121898
  • Unit Cell Volume: 1670.3670187283217
  • Molar Volume: 20.528949607435734
  • Full Formula: Ba9 Pr6 Br34
  • Reduced Formula: Ba9Pr6Br34
  • Formula Anonymous: A6B9C34
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -219.79731157
  • Final energy per atom: -4.485659419795918
  • 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.