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  1. Third-Parties
  2. MatprojStructure
  3. mp-33618

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-33618
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ag', 'Bi', 'Se']
  • Chemical System: Ag-Bi-Se
  • Density: 7.721549288922001
  • Atomic Density: 0.03917719640198252
  • Unit Cell Volume: 204.2004210284728
  • Molar Volume: 15.37154598355909
  • Full Formula: Ag2 Bi2 Se4
  • Reduced Formula: AgBiSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -31.01858679
  • Final energy per atom: -3.87732334875
  • 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.