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  1. Third-Parties
  2. MatprojStructure
  3. mp-17229

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-17229
  • 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: 28
  • Number of elements: 4
  • Element list: ['Rb', 'Be', 'Zn', 'F']
  • Chemical System: Be-F-Rb-Zn
  • Density: 2.961218443747644
  • Atomic Density: 0.07155659894970481
  • Unit Cell Volume: 391.29864206766507
  • Molar Volume: 8.415912506172631
  • Full Formula: Rb2 Be6 Zn2 F18
  • Reduced Formula: RbBe3ZnF9
  • Formula Anonymous: ABC3D9
  • Spacegroup Number: 188
  • Spacegroup Symbol: P-6c2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -154.11214975
  • Final energy per atom: -5.504005348214285
  • 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.