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  1. Third-Parties
  2. MatprojStructure
  3. mp-1017629

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-1017629
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Mg', 'Ni', 'H']
  • Chemical System: H-Mg-Ni
  • Density: 3.873370213544492
  • Atomic Density: 0.13558113618561082
  • Unit Cell Volume: 36.87828661617787
  • Molar Volume: 4.441724659804945
  • Full Formula: Mg1 Ni1 H3
  • Reduced Formula: MgNiH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -18.85534608
  • Final energy per atom: -3.771069216
  • 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.