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  1. Third-Parties
  2. MatprojStructure
  3. mp-28372

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-28372
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Au', 'Se', 'Cl']
  • Chemical System: Au-Cl-Se
  • Density: 2.9494575468164377
  • Atomic Density: 0.03050165582210505
  • Unit Cell Volume: 1180.263793217095
  • Molar Volume: 19.74365193523578
  • Full Formula: Au4 Se4 Cl28
  • Reduced Formula: AuSeCl7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -107.64031251
  • Final energy per atom: -2.9900086808333333
  • 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.