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  1. Third-Parties
  2. MatprojStructure
  3. mp-12626

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-12626
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['K', 'Sr', 'Be', 'F']
  • Chemical System: Be-F-K-Sr
  • Density: 3.0850266108333
  • Atomic Density: 0.07191773830997496
  • Unit Cell Volume: 180.76208047544935
  • Molar Volume: 8.373651482258492
  • Full Formula: K2 Sr1 Be2 F8
  • Reduced Formula: K2SrBe2F8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -73.45334394
  • Final energy per atom: -5.650257226153846
  • 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.