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  1. Third-Parties
  2. MatprojStructure
  3. mp-574620

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-574620
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Cs', 'Y', 'Zn', 'Se']
  • Chemical System: Cs-Se-Y-Zn
  • Density: 4.652519107341447
  • Atomic Density: 0.032075682682619205
  • Unit Cell Volume: 374.11518622181717
  • Molar Volume: 18.774785932344965
  • Full Formula: Cs2 Y2 Zn2 Se6
  • Reduced Formula: CsYZnSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -58.06803009
  • Final energy per atom: -4.8390025075
  • 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.