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  1. Third-Parties
  2. MatprojStructure
  3. mp-728880

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-728880
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ge', 'Br', 'N']
  • Chemical System: Br-Ge-N
  • Density: 2.4526667824097386
  • Atomic Density: 0.02373921571848481
  • Unit Cell Volume: 2021.9707579734513
  • Molar Volume: 25.36790107733337
  • Full Formula: Ge8 Br28 N12
  • Reduced Formula: Ge2Br7N3
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -158.76382692
  • Final energy per atom: -3.3075797275000003
  • 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.