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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194583

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-1194583
  • 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: 48
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'Se']
  • Chemical System: Ba-Sb-Se
  • Density: 4.924032147137038
  • Atomic Density: 0.029451447747130825
  • Unit Cell Volume: 1629.8010343031842
  • Molar Volume: 20.447690082015338
  • Full Formula: Ba12 Sb8 Se28
  • Reduced Formula: Ba3Sb2Se7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -223.32168175
  • Final energy per atom: -4.6525350364583336
  • 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.