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  1. Third-Parties
  2. MatprojStructure
  3. mp-29978

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-29978
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Sr', 'Al', 'F']
  • Chemical System: Al-F-Sr
  • Density: 3.861577442352656
  • Atomic Density: 0.06719082054713248
  • Unit Cell Volume: 684.6173275668258
  • Molar Volume: 8.962743289874899
  • Full Formula: Sr10 Al4 F32
  • Reduced Formula: Sr5Al2F16
  • Formula Anonymous: A2B5C16
  • Spacegroup Number: 68
  • Spacegroup Symbol: Ccce1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -282.51092279
  • Final energy per atom: -6.141541799782608
  • 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.