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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228026

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-1228026
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Cs', 'Re', 'Os', 'Se', 'Cl']
  • Chemical System: Cl-Cs-Os-Re-Se
  • Density: 4.973608989461077
  • Atomic Density: 0.02947617660940669
  • Unit Cell Volume: 1492.7309122567253
  • Molar Volume: 20.430535614575476
  • Full Formula: Cs4 Re8 Os4 Se16 Cl12
  • Reduced Formula: CsRe2OsSe4Cl3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -275.98291254000003
  • Final energy per atom: -6.272338921363637
  • 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.