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  1. Third-Parties
  2. MatprojStructure
  3. mp-641575

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-641575
  • 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: 29
  • Number of elements: 3
  • Element list: ['Cr', 'W', 'C']
  • Chemical System: C-Cr-W
  • Density: 8.423147891241893
  • Atomic Density: 0.09604180278940588
  • Unit Cell Volume: 301.95184969183975
  • Molar Volume: 6.270332902022833
  • Full Formula: Cr21 W2 C6
  • Reduced Formula: Cr21(WC3)2
  • Formula Anonymous: A2B6C21
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -286.46285126
  • Final energy per atom: -9.878029353793103
  • 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.