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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199335

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-1199335
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'I', 'N']
  • Chemical System: C-H-I-N-Sb
  • Density: 3.0280136277423155
  • Atomic Density: 0.04774520855661985
  • Unit Cell Volume: 1717.4498233211873
  • Molar Volume: 12.613078761313805
  • Full Formula: Sb4 H36 C6 I18 N18
  • Reduced Formula: Sb2H18C3(IN)9
  • Formula Anonymous: A2B3C9D9E18
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -413.14435281
  • Final energy per atom: -5.03834576597561
  • 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.