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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229065

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-1229065
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Al', 'Cu', 'Se', 'S']
  • Chemical System: Al-Cu-S-Se
  • Density: 4.099794373196334
  • Atomic Density: 0.048998715635083505
  • Unit Cell Volume: 163.26958566791353
  • Molar Volume: 12.290405333988176
  • Full Formula: Al2 Cu2 Se2 S2
  • Reduced Formula: AlCuSeS
  • Formula Anonymous: ABCD
  • Spacegroup Number: 24
  • Spacegroup Symbol: I2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -38.56457731
  • Final energy per atom: -4.82057216375
  • 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.