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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104424

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-1104424
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Ba', 'Sb', 'H', 'O']
  • Chemical System: Ba-H-O-Sb
  • Density: 5.067318167932068
  • Atomic Density: 0.028543352687782075
  • Unit Cell Volume: 525.5164018073013
  • Molar Volume: 21.098224955815247
  • Full Formula: Ba8 Sb4 H2 O1
  • Reduced Formula: Ba8Sb4H2O
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -62.72150352
  • Final energy per atom: -4.181433568
  • 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.