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  1. Third-Parties
  2. MatprojStructure
  3. mp-1094346

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-1094346
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Mg', 'Ti']
  • Chemical System: Mg-Ti
  • Density: 3.0561922020716175
  • Atomic Density: 0.05100265930513206
  • Unit Cell Volume: 235.28184928962165
  • Molar Volume: 11.807503455793396
  • Full Formula: Mg6 Ti6
  • Reduced Formula: MgTi
  • Formula Anonymous: AB
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -55.64726223000001
  • Final energy per atom: -4.6372718525000005
  • 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.