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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206441

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-1206441
  • 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: 11
  • Number of elements: 2
  • Element list: ['V', 'B']
  • Chemical System: B-V
  • Density: 5.50366421088174
  • Atomic Density: 0.11408400459885992
  • Unit Cell Volume: 96.42017773374977
  • Molar Volume: 5.2786898401532625
  • Full Formula: V5 B6
  • Reduced Formula: V5B6
  • Formula Anonymous: A5B6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -94.62761242
  • Final energy per atom: -8.602510220000001
  • 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.