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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227896

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-1227896
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 126
  • Number of elements: 4
  • Element list: ['Cd', 'As', 'Cl', 'O']
  • Chemical System: As-Cd-Cl-O
  • Density: 5.555996743878761
  • Atomic Density: 0.06972138165835898
  • Unit Cell Volume: 1807.1931020732104
  • Molar Volume: 8.637437493004699
  • Full Formula: Cd30 As18 Cl4 O74
  • Reduced Formula: Cd15As9Cl2O37
  • Formula Anonymous: A2B9C15D37
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -690.13859683
  • Final energy per atom: -5.477290451031746
  • 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.