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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204449

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-1204449
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Cs', 'Zn', 'I']
  • Chemical System: Cs-I-Zn
  • Density: 3.9124472608692833
  • Atomic Density: 0.0196616270856414
  • Unit Cell Volume: 4272.28121223721
  • Molar Volume: 30.628903364757036
  • Full Formula: Cs24 Zn12 I48
  • Reduced Formula: Cs2ZnI4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -227.31282802
  • Final energy per atom: -2.7061050954761905
  • 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.