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  1. Third-Parties
  2. MatprojStructure
  3. mp-571085

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-571085
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ga', 'Bi', 'Se']
  • Chemical System: Bi-Ga-Se
  • Density: 5.456446252418847
  • Atomic Density: 0.03462713329314478
  • Unit Cell Volume: 808.614440096987
  • Molar Volume: 17.391392781545157
  • Full Formula: Ga8 Bi4 Se16
  • Reduced Formula: Ga2BiSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 126
  • Spacegroup Symbol: P4/nnc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -118.43695367999996
  • Final energy per atom: -4.229891202857141
  • 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.