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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198076

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-1198076
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Rb', 'Cr', 'Cl', 'O']
  • Chemical System: Cl-Cr-O-Rb
  • Density: 2.6841490460068043
  • Atomic Density: 0.03495441462164798
  • Unit Cell Volume: 1029.9128275975895
  • Molar Volume: 17.228555606450822
  • Full Formula: Rb8 Cr4 Cl20 O4
  • Reduced Formula: Rb2CrCl5O
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -165.42496523
  • Final energy per atom: -4.595137923055556
  • 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.