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  1. Third-Parties
  2. MatprojStructure
  3. mp-7323

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-7323
  • 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: 9
  • Number of elements: 5
  • Element list: ['Rb', 'Be', 'B', 'O', 'F']
  • Chemical System: B-Be-F-O-Rb
  • Density: 2.8147926197976028
  • Atomic Density: 0.07616629550221507
  • Unit Cell Volume: 118.16250141426744
  • Molar Volume: 7.906569067449085
  • Full Formula: Rb1 Be2 B1 O3 F2
  • Reduced Formula: RbBe2BO3F2
  • Formula Anonymous: ABC2D2E3
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -62.36293504
  • Final energy per atom: -6.929215004444445
  • 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.