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  1. Third-Parties
  2. MatprojStructure
  3. mp-556603

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-556603
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Fe', 'W', 'Cl', 'O']
  • Chemical System: Cl-Fe-O-W
  • Density: 4.36786962541249
  • Atomic Density: 0.054293173586780014
  • Unit Cell Volume: 257.8593048649655
  • Molar Volume: 11.09189307266125
  • Full Formula: Fe2 W2 Cl2 O8
  • Reduced Formula: FeWClO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -111.58678643
  • Final energy per atom: -7.970484745
  • 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.