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  1. Third-Parties
  2. MatprojStructure
  3. mp-10489

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-10489
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'Cu', 'Se']
  • Chemical System: Cs-Cu-Se-Ti
  • Density: 4.941739748283294
  • Atomic Density: 0.03539983682719539
  • Unit Cell Volume: 508.47692004534247
  • Molar Volume: 17.01177547624621
  • Full Formula: Cs4 Ti2 Cu4 Se8
  • Reduced Formula: Cs2Ti(CuSe2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -84.82580964000002
  • Final energy per atom: -4.7125449800000005
  • 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.