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  1. Third-Parties
  2. MatprojStructure
  3. mp-644264

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-644264
  • 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: 33
  • Number of elements: 4
  • Element list: ['Ca', 'Mg', 'Fe', 'H']
  • Chemical System: Ca-Fe-H-Mg
  • Density: 2.4855975315865693
  • Atomic Density: 0.11044686198123531
  • Unit Cell Volume: 298.7862163581128
  • Molar Volume: 5.452523188049606
  • Full Formula: Ca4 Mg4 Fe3 H22
  • Reduced Formula: Ca4Mg4Fe3H22
  • Formula Anonymous: A3B4C4D22
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -131.97418635999998
  • Final energy per atom: -3.9992177684848476
  • 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.