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  1. Third-Parties
  2. MatprojStructure
  3. mp-643246

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-643246
  • 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: 28
  • Number of elements: 4
  • Element list: ['Yb', 'Mg', 'Ni', 'H']
  • Chemical System: H-Mg-Ni-Yb
  • Density: 5.933735592608315
  • Atomic Density: 0.09618040642786807
  • Unit Cell Volume: 291.1195849541249
  • Molar Volume: 6.261296852094707
  • Full Formula: Yb4 Mg4 Ni4 H16
  • Reduced Formula: YbMgNiH4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -105.06806825
  • Final energy per atom: -3.7524310089285713
  • 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.