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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197576

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-1197576
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Fe', 'W', 'Cl']
  • Chemical System: Cl-Fe-W
  • Density: 5.423129458757745
  • Atomic Density: 0.04143454815588358
  • Unit Cell Volume: 2027.293737679441
  • Molar Volume: 14.534105059728704
  • Full Formula: Fe4 W24 Cl56
  • Reduced Formula: Fe(W3Cl7)2
  • Formula Anonymous: AB6C14
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -538.66408168
  • Final energy per atom: -6.412667639047619
  • 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.