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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198477

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-1198477
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Ni', 'W', 'C']
  • Chemical System: C-Ni-W
  • Density: 10.5390442729762
  • Atomic Density: 0.08646179207695022
  • Unit Cell Volume: 370.1056759443557
  • Molar Volume: 6.965088989412051
  • Full Formula: Ni20 W6 C6
  • Reduced Formula: Ni10(WC)3
  • Formula Anonymous: A3B3C10
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -244.40791456
  • Final energy per atom: -7.63774733
  • 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.