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  1. Third-Parties
  2. MatprojStructure
  3. mp-684989

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-684989
  • 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: 26
  • Number of elements: 2
  • Element list: ['W', 'C']
  • Chemical System: C-W
  • Density: 16.719741489222645
  • Atomic Density: 0.07687948579658076
  • Unit Cell Volume: 338.1916480138107
  • Molar Volume: 7.833221954598242
  • Full Formula: W18 C8
  • Reduced Formula: W9C4
  • Formula Anonymous: A4B9
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -307.15252034
  • Final energy per atom: -11.813558474615386
  • 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.