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  1. Third-Parties
  2. MatprojStructure
  3. mp-505709

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-505709
  • 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: 12
  • Number of elements: 4
  • Element list: ['Cs', 'Sm', 'Zn', 'Se']
  • Chemical System: Cs-Se-Sm-Zn
  • Density: 5.014585760378163
  • Atomic Density: 0.03094353518912242
  • Unit Cell Volume: 387.8031364760921
  • Molar Volume: 19.461708958570977
  • Full Formula: Cs2 Sm2 Zn2 Se6
  • Reduced Formula: CsSmZnSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -54.43767318
  • Final energy per atom: -4.536472765
  • 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.