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  1. Third-Parties
  2. MatprojStructure
  3. mp-570929

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-570929
  • 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: 142
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'Br', 'N']
  • Chemical System: Br-C-H-N-Sn
  • Density: 1.562327096184793
  • Atomic Density: 0.091646294608595
  • Unit Cell Volume: 1549.4352565639092
  • Molar Volume: 6.571068460235616
  • Full Formula: Sn2 H92 C36 Br8 N4
  • Reduced Formula: SnH46C18(Br2N)2
  • Formula Anonymous: AB2C4D18E46
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -728.96774345
  • Final energy per atom: -5.133575658098591
  • 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.