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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226023

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-1226023
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Cr', 'B', 'C']
  • Chemical System: B-C-Cr
  • Density: 6.5538594992734325
  • Atomic Density: 0.10999469772570214
  • Unit Cell Volume: 90.91347316520084
  • Molar Volume: 5.474937323813221
  • Full Formula: Cr6 B1 C3
  • Reduced Formula: Cr6BC3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -93.80614655
  • Final energy per atom: -9.380614654999999
  • 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.