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  1. Third-Parties
  2. MatprojStructure
  3. mp-669309

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-669309
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 4
  • Element list: ['Cs', 'Y', 'C', 'I']
  • Chemical System: C-Cs-I-Y
  • Density: 4.765649747682933
  • Atomic Density: 0.02823493007842926
  • Unit Cell Volume: 1168.7650689530528
  • Molar Volume: 21.328690183655723
  • Full Formula: Cs1 Y10 C4 I18
  • Reduced Formula: CsY10(C2I9)2
  • Formula Anonymous: AB4C10D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -178.02405244
  • Final energy per atom: -5.394668255757575
  • 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.