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  1. Third-Parties
  2. MatprojStructure
  3. mp-16877

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-16877
  • 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: 24
  • Number of elements: 3
  • Element list: ['Re', 'W', 'C']
  • Chemical System: C-Re-W
  • Density: 18.460826109271995
  • Atomic Density: 0.07126939876747312
  • Unit Cell Volume: 336.7504204476808
  • Molar Volume: 8.44982680385465
  • Full Formula: Re8 W12 C4
  • Reduced Formula: Re2W3C
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -291.32425271
  • Final energy per atom: -12.138510529583334
  • 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.