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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201593

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-1201593
  • 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: 154
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'Br', 'N']
  • Chemical System: Br-C-H-N-Sb
  • Density: 2.1298115376164874
  • Atomic Density: 0.0753200253638784
  • Unit Cell Volume: 2044.6089769090086
  • Molar Volume: 7.99540458318548
  • Full Formula: Sb4 H84 C30 Br18 N18
  • Reduced Formula: Sb2H42C15(BrN)9
  • Formula Anonymous: A2B9C9D15E42
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -803.85569709
  • Final energy per atom: -5.219842188896104
  • 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.