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  1. Third-Parties
  2. MatprojStructure
  3. mp-583589

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-583589
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'Br', 'N']
  • Chemical System: Br-C-H-N-Sn
  • Density: 2.4291934316537476
  • Atomic Density: 0.06920117588488604
  • Unit Cell Volume: 722.5310749512901
  • Molar Volume: 8.70236767366156
  • Full Formula: Sn2 H28 C8 Br8 N4
  • Reduced Formula: SnH14C4(Br2N)2
  • Formula Anonymous: AB2C4D4E14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -244.76401968
  • Final energy per atom: -4.8952803936
  • 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.