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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213767

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-1213767
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ce', 'Zr', 'F']
  • Chemical System: Ce-F-Zr
  • Density: 3.908006820773247
  • Atomic Density: 0.061985918560474015
  • Unit Cell Volume: 451.71549684599654
  • Molar Volume: 9.715336805285457
  • Full Formula: Ce2 Zr4 F22
  • Reduced Formula: CeZr2F11
  • Formula Anonymous: AB2C11
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -203.61488308
  • Final energy per atom: -7.27196011
  • 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.