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  1. Third-Parties
  2. MatprojStructure
  3. mp-780738

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-780738
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['H', 'W', 'N', 'Cl']
  • Chemical System: Cl-H-N-W
  • Density: 3.0536057614639422
  • Atomic Density: 0.053225472482146444
  • Unit Cell Volume: 450.91192019103977
  • Molar Volume: 11.314396057301364
  • Full Formula: H8 W2 N2 Cl12
  • Reduced Formula: H4WNCl6
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -117.44117995
  • Final energy per atom: -4.893382497916667
  • 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.