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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182236

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-1182236
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Ba', 'Re', 'H']
  • Chemical System: Ba-H-Re
  • Density: 4.973408268103802
  • Atomic Density: 0.09905315782729818
  • Unit Cell Volume: 333.1544468025581
  • Molar Volume: 6.079705980196778
  • Full Formula: Ba3 Re3 H27
  • Reduced Formula: BaReH9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -146.14042729
  • Final energy per atom: -4.428497796666666
  • 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.