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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209683

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-1209683
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Rb', 'Ca', 'Be', 'F']
  • Chemical System: Be-Ca-F-Rb
  • Density: 2.7349535687881494
  • Atomic Density: 0.061831589965145206
  • Unit Cell Volume: 1229.1451674272262
  • Molar Volume: 9.739585806211213
  • Full Formula: Rb8 Ca8 Be12 F48
  • Reduced Formula: Rb2Ca2Be3F12
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -441.49653836
  • Final energy per atom: -5.809164978421053
  • 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.