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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228479

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-1228479
  • 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: 7
  • Number of elements: 4
  • Element list: ['Al', 'Zn', 'Se', 'S']
  • Chemical System: Al-S-Se-Zn
  • Density: 3.4999114625969128
  • Atomic Density: 0.043212998288810964
  • Unit Cell Volume: 161.98829697527592
  • Molar Volume: 13.935947512254199
  • Full Formula: Al2 Zn1 Se2 S2
  • Reduced Formula: Al2Zn(SeS)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -32.35840068
  • Final energy per atom: -4.622628668571429
  • 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.