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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191885

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-1191885
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'H']
  • Chemical System: H-Mg-Ti
  • Density: 3.552870184161288
  • Atomic Density: 0.13675094604320898
  • Unit Cell Volume: 175.5015281021658
  • Molar Volume: 4.403728774276408
  • Full Formula: Mg1 Ti7 H16
  • Reduced Formula: MgTi7H16
  • Formula Anonymous: AB7C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -124.37623993
  • Final energy per atom: -5.182343330416667
  • 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.