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  1. Third-Parties
  2. MatprojStructure
  3. mp-705638

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-705638
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['Fe', 'H', 'O']
  • Chemical System: Fe-H-O
  • Density: 4.471244336735012
  • Atomic Density: 0.08625496159219782
  • Unit Cell Volume: 1252.1018849977568
  • Molar Volume: 6.9817905530720585
  • Full Formula: Fe42 H2 O64
  • Reduced Formula: Fe21HO32
  • Formula Anonymous: AB21C32
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -846.00938865
  • Final energy per atom: -7.833420265277778
  • 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.