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  1. Third-Parties
  2. MatprojStructure
  3. mp-29123

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-29123
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Se', 'Br', 'N']
  • Chemical System: Br-N-Se
  • Density: 3.3040684176292965
  • Atomic Density: 0.029002470027978806
  • Unit Cell Volume: 1655.031449172922
  • Molar Volume: 20.764234060721087
  • Full Formula: Se16 Br24 N8
  • Reduced Formula: Se2Br3N
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -170.45418528000002
  • Final energy per atom: -3.5511288600000004
  • 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.