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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221607

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-1221607
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Mn', 'Re', 'B']
  • Chemical System: B-Mn-Re
  • Density: 15.614231140934596
  • Atomic Density: 0.08882295707269919
  • Unit Cell Volume: 135.10020827361473
  • Molar Volume: 6.779937257741871
  • Full Formula: Mn2 Re6 B4
  • Reduced Formula: MnRe3B2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 22
  • Spacegroup Symbol: F222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -122.44438107
  • Final energy per atom: -10.2036984225
  • 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.