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  1. Third-Parties
  2. MatprojStructure
  3. mp-557864

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-557864
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Fe', 'W', 'C', 'Se', 'O']
  • Chemical System: C-Fe-O-Se-W
  • Density: 2.5341754506654772
  • Atomic Density: 0.05201124829670286
  • Unit Cell Volume: 961.330512868495
  • Molar Volume: 11.578535330754136
  • Full Formula: Fe4 W2 C20 Se4 O20
  • Reduced Formula: Fe2WC10(SeO5)2
  • Formula Anonymous: AB2C2D10E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -388.28690701
  • Final energy per atom: -7.7657381402
  • 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.