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  1. Third-Parties
  2. MatprojStructure
  3. mp-30117

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-30117
  • 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: 88
  • Number of elements: 3
  • Element list: ['W', 'C', 'Cl']
  • Chemical System: C-Cl-W
  • Density: 3.1465336299096456
  • Atomic Density: 0.03142362934988739
  • Unit Cell Volume: 2800.4403635290255
  • Molar Volume: 19.164370521769733
  • Full Formula: W16 C8 Cl64
  • Reduced Formula: W2CCl8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -497.47019365000006
  • Final energy per atom: -5.653070382386364
  • 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.