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  1. Third-Parties
  2. MatprojStructure
  3. mp-24682

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-24682
  • 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: 38
  • Number of elements: 7
  • Element list: ['Cs', 'Cr', 'H', 'Br', 'N', 'Cl', 'O']
  • Chemical System: Br-Cl-Cr-Cs-H-N-O
  • Density: 2.308682282117088
  • Atomic Density: 0.08180969048269594
  • Unit Cell Volume: 464.4926508802476
  • Molar Volume: 7.3611582252273395
  • Full Formula: Cs1 Cr1 H18 Br2 N6 Cl2 O8
  • Reduced Formula: CsCrH18Br2N6(ClO4)2
  • Formula Anonymous: ABC2D2E6F8G18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -195.59344439
  • Final energy per atom: -5.147195905
  • 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.