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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101820

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-1101820
  • 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: 12
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'H']
  • Chemical System: H-Mg-Ti
  • Density: 3.292632177910052
  • Atomic Density: 0.13521906148154794
  • Unit Cell Volume: 88.74488454896965
  • Molar Volume: 4.453618220698703
  • Full Formula: Mg1 Ti3 H8
  • Reduced Formula: MgTi3H8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -58.46830912
  • Final energy per atom: -4.872359093333333
  • 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.