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  1. Third-Parties
  2. MatprojStructure
  3. mp-510306

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-510306
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sc', 'Cr', 'B']
  • Chemical System: B-Cr-Sc
  • Density: 4.096843451774347
  • Atomic Density: 0.10738583822646751
  • Unit Cell Volume: 335.2397354675306
  • Molar Volume: 5.607946875918426
  • Full Formula: Sc8 Cr4 B24
  • Reduced Formula: Sc2CrB6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -276.40374135
  • Final energy per atom: -7.677881704166667
  • 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.