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  1. Third-Parties
  2. MatprojStructure
  3. mp-30107

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-30107
  • 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: 32
  • Number of elements: 3
  • Element list: ['Rb', 'Nb', 'Cl']
  • Chemical System: Cl-Nb-Rb
  • Density: 3.5068087131099435
  • Atomic Density: 0.03988966792704702
  • Unit Cell Volume: 802.2127448772903
  • Molar Volume: 15.096993965990661
  • Full Formula: Rb2 Nb8 Cl22
  • Reduced Formula: RbNb4Cl11
  • Formula Anonymous: AB4C11
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -180.20595164
  • Final energy per atom: -5.63143598875
  • 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.