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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193982

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-1193982
  • 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: 29
  • Number of elements: 3
  • Element list: ['Cr', 'Mo', 'C']
  • Chemical System: C-Cr-Mo
  • Density: 7.29686098986393
  • Atomic Density: 0.09713553800805572
  • Unit Cell Volume: 298.55190586986765
  • Molar Volume: 6.199729659705563
  • Full Formula: Cr22 Mo1 C6
  • Reduced Formula: Cr22MoC6
  • Formula Anonymous: AB6C22
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -279.85282456
  • Final energy per atom: -9.650097398620689
  • 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.