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  1. Third-Parties
  2. MatprojStructure
  3. mp-18549

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-18549
  • 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: 39
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'F']
  • Chemical System: Ba-F-Mg
  • Density: 4.404814847345591
  • Atomic Density: 0.06952228584907788
  • Unit Cell Volume: 560.9711982811233
  • Molar Volume: 8.662173123986651
  • Full Formula: Ba6 Mg7 F26
  • Reduced Formula: Ba6Mg7F26
  • Formula Anonymous: A6B7C26
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -227.44304618
  • Final energy per atom: -5.831872978974359
  • 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.