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  1. Third-Parties
  2. MatprojStructure
  3. mp-709921

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-709921
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 6
  • Element list: ['Cs', 'Na', 'Cu', 'Si', 'H', 'O']
  • Chemical System: Cs-Cu-H-Na-O-Si
  • Density: 2.783117784328491
  • Atomic Density: 0.06973426071526859
  • Unit Cell Volume: 1577.4168804791684
  • Molar Volume: 8.635842264950588
  • Full Formula: Cs4 Na8 Cu4 Si24 H8 O62
  • Reduced Formula: Cs2Na4Cu2Si12H4O31
  • Formula Anonymous: A2B2C4D4E12F31
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -792.7861596500001
  • Final energy per atom: -7.207146905909092
  • 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.