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  1. Third-Parties
  2. MatprojStructure
  3. mp-726503

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-726503
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Sb', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-N-Sb
  • Density: 2.141903346226291
  • Atomic Density: 0.03288985106381674
  • Unit Cell Volume: 2675.5974002208795
  • Molar Volume: 18.310027455932037
  • Full Formula: Sb8 C8 N8 Cl64
  • Reduced Formula: SbCNCl8
  • Formula Anonymous: ABCD8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -343.29222837
  • Final energy per atom: -3.9010480496590905
  • 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.