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  1. Third-Parties
  2. MatprojStructure
  3. mp-23118

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-23118
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Cs', 'Er', 'C', 'I']
  • Chemical System: C-Cs-Er-I
  • Density: 5.7675370406109785
  • Atomic Density: 0.026004275493965515
  • Unit Cell Volume: 769.1042961239642
  • Molar Volume: 23.158271651896175
  • Full Formula: Cs1 Er6 C1 I12
  • Reduced Formula: CsEr6CI12
  • Formula Anonymous: ABC6D12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -85.37715015
  • Final energy per atom: -4.2688575075
  • 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.