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  1. Third-Parties
  2. MatprojStructure
  3. mp-863017

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-863017
  • 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: 26
  • Number of elements: 6
  • Element list: ['Rb', 'Zn', 'H', 'Se', 'Br', 'O']
  • Chemical System: Br-H-O-Rb-Se-Zn
  • Density: 3.6952775394286106
  • Atomic Density: 0.0594385627495662
  • Unit Cell Volume: 437.4264584684924
  • Molar Volume: 10.131706557867522
  • Full Formula: Rb2 Zn2 H4 Se4 Br2 O12
  • Reduced Formula: RbZnH2Se2BrO6
  • Formula Anonymous: ABCD2E2F6
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -132.85895589
  • Final energy per atom: -5.109959841923077
  • 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.