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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041291

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-1041291
  • Created at: Sept. 4, 2022, 2:45 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', 'Mg', 'Sn', 'F']
  • Chemical System: Ba-F-Mg-Sn
  • Density: 4.582550585910793
  • Atomic Density: 0.0667667717531247
  • Unit Cell Volume: 599.1004050323579
  • Molar Volume: 9.01966742119468
  • Full Formula: Ba4 Mg4 Sn4 F28
  • Reduced Formula: BaMgSnF7
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -219.8537233
  • Final energy per atom: -5.4963430825
  • 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.