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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199834

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-1199834
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 212
  • Number of elements: 3
  • Element list: ['Cr', 'Xe', 'F']
  • Chemical System: Cr-F-Xe
  • Density: 3.2435336865385556
  • Atomic Density: 0.0608834727376124
  • Unit Cell Volume: 3482.061559031788
  • Molar Volume: 9.891257001638904
  • Full Formula: Cr16 Xe20 F176
  • Reduced Formula: Cr4Xe5F44
  • Formula Anonymous: A4B5C44
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -803.3696956900001
  • Final energy per atom: -3.7894796966509436
  • 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.