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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104568

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-1104568
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'H']
  • Chemical System: Ba-H-In
  • Density: 4.73291693062985
  • Atomic Density: 0.023524743015258275
  • Unit Cell Volume: 595.1180844321881
  • Molar Volume: 25.59917766623001
  • Full Formula: Ba9 In4 H1
  • Reduced Formula: Ba9In4H
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -36.35277937
  • Final energy per atom: -2.596627097857143
  • 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.