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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191238

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-1191238
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cs', 'Sm', 'Cu', 'Se']
  • Chemical System: Cs-Cu-Se-Sm
  • Density: 6.125954779052136
  • Atomic Density: 0.03982136549406662
  • Unit Cell Volume: 552.4672428241568
  • Molar Volume: 15.122888643528054
  • Full Formula: Cs2 Sm4 Cu6 Se10
  • Reduced Formula: CsSm2Cu3Se5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -109.23927386
  • Final energy per atom: -4.965421539090909
  • 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.