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  1. Third-Parties
  2. MatprojStructure
  3. mp-1102736

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-1102736
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Sn', 'Br', 'N', 'O']
  • Chemical System: Br-N-O-Sn
  • Density: 3.383219807829386
  • Atomic Density: 0.03147181047685728
  • Unit Cell Volume: 381.2936026932474
  • Molar Volume: 19.13503121921876
  • Full Formula: Sn2 Br6 N2 O2
  • Reduced Formula: SnBr3NO
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -42.71694003
  • Final energy per atom: -3.5597450025
  • 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.