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  1. Third-Parties
  2. MatprojStructure
  3. mp-800

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-800
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Tm', 'B']
  • Chemical System: B-Tm
  • Density: 9.109008829281487
  • Atomic Density: 0.08636149938063874
  • Unit Cell Volume: 34.73770165542732
  • Molar Volume: 6.973177634928946
  • Full Formula: Tm1 B2
  • Reduced Formula: TmB2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -19.79138311
  • Final energy per atom: -6.597127703333334
  • 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.