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  1. Third-Parties
  2. MatprojStructure
  3. mp-677704

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-677704
  • 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: 50
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Sb
  • Density: 1.4992382930479078
  • Atomic Density: 0.03624700359264046
  • Unit Cell Volume: 1379.4243673745195
  • Molar Volume: 16.614175416206617
  • Full Formula: Sb4 H20 C6 N2 Cl18
  • Reduced Formula: Sb2H10C3NCl9
  • Formula Anonymous: AB2C3D9E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -183.44029882
  • Final energy per atom: -3.6688059764000003
  • 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.