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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194580

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-1194580
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Rb', 'Na', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-Na-O-Rb
  • Density: 2.4698028449009533
  • Atomic Density: 0.07593162922644352
  • Unit Cell Volume: 1053.579395240207
  • Molar Volume: 7.93100427496525
  • Full Formula: Rb4 Na8 B24 Cl4 O40
  • Reduced Formula: RbNa2B6ClO10
  • Formula Anonymous: ABC2D6E10
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -598.55109465
  • Final energy per atom: -7.481888683125
  • 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.