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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215850

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-1215850
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Zr', 'W', 'Cl', 'O']
  • Chemical System: Cl-O-W-Zr
  • Density: 4.991433262929216
  • Atomic Density: 0.0643122104183398
  • Unit Cell Volume: 870.7522200796659
  • Molar Volume: 9.363915065004011
  • Full Formula: Zr4 W8 Cl4 O40
  • Reduced Formula: ZrW2ClO10
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -437.15877907
  • Final energy per atom: -7.806406769107142
  • 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.