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  1. Third-Parties
  2. MatprojStructure
  3. mp-571553

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-571553
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'Br', 'N']
  • Chemical System: Br-C-H-N-Sn
  • Density: 2.0107557706927683
  • Atomic Density: 0.07590475255225247
  • Unit Cell Volume: 1528.2310540456099
  • Molar Volume: 7.933812518332613
  • Full Formula: Sn4 H72 C24 Br12 N4
  • Reduced Formula: SnH18C6Br3N
  • Formula Anonymous: ABC3D6E18
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -570.43914081
  • Final energy per atom: -4.917578800086207
  • 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.