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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229175

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-1229175
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Cs', 'H', 'Se', 'S', 'O']
  • Chemical System: Cs-H-O-S-Se
  • Density: 3.2098925395656135
  • Atomic Density: 0.055983912877702255
  • Unit Cell Volume: 500.14367629441057
  • Molar Volume: 10.756912924531484
  • Full Formula: Cs4 H4 Se1 S3 O16
  • Reduced Formula: Cs4H4SeS3O16
  • Formula Anonymous: AB3C4D4E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -163.96209763
  • Final energy per atom: -5.8557892010714285
  • 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.