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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202047

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-1202047
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Rb', 'B', 'H', 'O']
  • Chemical System: B-H-O-Rb
  • Density: 2.0179034425746907
  • Atomic Density: 0.09887314021170476
  • Unit Cell Volume: 890.0293832235584
  • Molar Volume: 6.090775257168468
  • Full Formula: Rb4 B24 H32 O28
  • Reduced Formula: RbB6H8O7
  • Formula Anonymous: AB6C7D8
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -530.12376485
  • Final energy per atom: -6.024133691477274
  • 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.