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  1. Third-Parties
  2. MatprojStructure
  3. mp-643706

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-643706
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Cs', 'Mn', 'H']
  • Chemical System: Cs-H-Mn
  • Density: 3.3836640459094847
  • Atomic Density: 0.03998135365261273
  • Unit Cell Volume: 450.2098692404759
  • Molar Volume: 15.06237335615189
  • Full Formula: Cs6 Mn2 H10
  • Reduced Formula: Cs3MnH5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -60.70408801
  • Final energy per atom: -3.372449333888889
  • 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.