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  1. Third-Parties
  2. MatprojStructure
  3. mp-1021431

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-1021431
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Cs', 'Na', 'I', 'Cl']
  • Chemical System: Cl-Cs-I-Na
  • Density: 3.0679647295721932
  • Atomic Density: 0.023221441284383987
  • Unit Cell Volume: 172.2545965607195
  • Molar Volume: 25.93353567614162
  • Full Formula: Cs1 Na1 I1 Cl1
  • Reduced Formula: CsNaICl
  • Formula Anonymous: ABCD
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -12.7051829
  • Final energy per atom: -3.176295725
  • 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.