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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229130

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-1229130
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ag', 'Bi', 'Se', 'S']
  • Chemical System: Ag-Bi-S-Se
  • Density: 7.108014722541554
  • Atomic Density: 0.04233699575580333
  • Unit Cell Volume: 188.96003028045283
  • Molar Volume: 14.224298754534363
  • Full Formula: Ag2 Bi2 Se1 S3
  • Reduced Formula: Ag2Bi2SeS3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -32.89115175
  • Final energy per atom: -4.11139396875
  • 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.