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  1. Third-Parties
  2. MatprojStructure
  3. mp-12054

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-12054
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Cr', 'B']
  • Chemical System: B-Cr
  • Density: 5.7594545004886095
  • Atomic Density: 0.12711817800063344
  • Unit Cell Volume: 78.66695509079881
  • Molar Volume: 4.73743476717389
  • Full Formula: Cr4 B6
  • Reduced Formula: Cr2B3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -82.96729283000002
  • Final energy per atom: -8.296729283000001
  • 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.