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  1. Third-Parties
  2. MatprojStructure
  3. mp-556385

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-556385
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Cs', 'Zn', 'I', 'N', 'O']
  • Chemical System: Cs-I-N-O-Zn
  • Density: 3.821280963124156
  • Atomic Density: 0.026713228559270143
  • Unit Cell Volume: 1796.8625504588372
  • Molar Volume: 22.54366501090775
  • Full Formula: Cs12 Zn4 I16 N4 O12
  • Reduced Formula: Cs3ZnI4NO3
  • Formula Anonymous: ABC3D3E4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -201.26199673
  • Final energy per atom: -4.1929582652083335
  • 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.