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  1. Third-Parties
  2. MatprojStructure
  3. mp-761898

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-761898
  • 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: 112
  • Number of elements: 4
  • Element list: ['Sb', 'H', 'C', 'N']
  • Chemical System: C-H-N-Sb
  • Density: 2.1625681614362215
  • Atomic Density: 0.07766920478769863
  • Unit Cell Volume: 1442.0129613292852
  • Molar Volume: 7.753575920419101
  • Full Formula: Sb12 H72 C24 N4
  • Reduced Formula: Sb3H18C6N
  • Formula Anonymous: AB3C6D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -554.9355273499999
  • Final energy per atom: -4.954781494196427
  • 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.