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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214499

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-1214499
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ba', 'Cr', 'Cd', 'F']
  • Chemical System: Ba-Cd-Cr-F
  • Density: 4.848213028889705
  • Atomic Density: 0.0671614488220267
  • Unit Cell Volume: 595.5797663924329
  • Molar Volume: 8.966662967557872
  • Full Formula: Ba4 Cr4 Cd4 F28
  • Reduced Formula: BaCrCdF7
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -233.43590621
  • Final energy per atom: -5.83589765525
  • 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.