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  1. Third-Parties
  2. MatprojStructure
  3. mp-569424

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-569424
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Cr', 'B']
  • Chemical System: B-Cr
  • Density: 6.7458896065475535
  • Atomic Density: 0.10615914044928036
  • Unit Cell Volume: 113.03784063448816
  • Molar Volume: 5.672748229227795
  • Full Formula: Cr8 B4
  • Reduced Formula: Cr2B
  • Formula Anonymous: AB2
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -108.40362525
  • Final energy per atom: -9.033635437500001
  • 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.