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  1. Third-Parties
  2. MatprojStructure
  3. mp-697126

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-697126
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Ca', 'H', 'Rh']
  • Chemical System: Ca-H-Rh
  • Density: 4.108216896652351
  • Atomic Density: 0.09770145807866953
  • Unit Cell Volume: 194.4699738738918
  • Molar Volume: 6.163818717168941
  • Full Formula: Ca4 H12 Rh3
  • Reduced Formula: Ca4(H4Rh)3
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -81.75911219
  • Final energy per atom: -4.303111167894737
  • 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.