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  1. Third-Parties
  2. MatprojStructure
  3. mp-643071

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-643071
  • 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: 4
  • Element list: ['Yb', 'Mg', 'Fe', 'H']
  • Chemical System: Fe-H-Mg-Yb
  • Density: 5.6323130933999686
  • Atomic Density: 0.11432182746842118
  • Unit Cell Volume: 288.65878660936824
  • Molar Volume: 5.26770861991642
  • Full Formula: Yb4 Mg4 Fe3 H22
  • Reduced Formula: Yb4Mg4Fe3H22
  • Formula Anonymous: A3B4C4D22
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -131.39536439
  • Final energy per atom: -3.9816777087878785
  • 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.