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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209504

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-1209504
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Rb', 'Cr', 'I', 'Cl']
  • Chemical System: Cl-Cr-I-Rb
  • Density: 3.6111601058958334
  • Atomic Density: 0.027796829230033328
  • Unit Cell Volume: 503.65456736603534
  • Molar Volume: 21.664847850679767
  • Full Formula: Rb4 Cr2 I4 Cl4
  • Reduced Formula: Rb2Cr(ICl)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -58.67338353
  • Final energy per atom: -4.190955966428572
  • 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.