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  1. Third-Parties
  2. MatprojStructure
  3. mp-559754

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-559754
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Fe', 'Te', 'W', 'C', 'O']
  • Chemical System: C-Fe-O-Te-W
  • Density: 2.7329623679632706
  • Atomic Density: 0.04952356158275679
  • Unit Cell Volume: 1009.6204392821597
  • Molar Volume: 12.1601527990604
  • Full Formula: Fe4 Te4 W2 C20 O20
  • Reduced Formula: Fe2Te2W(CO)10
  • Formula Anonymous: AB2C2D10E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -385.40158671
  • Final energy per atom: -7.7080317342
  • 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.