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  1. Third-Parties
  2. MatprojStructure
  3. mp-28791

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-28791
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Se', 'N', 'Cl']
  • Chemical System: Cl-N-Se
  • Density: 2.5117401792004106
  • Atomic Density: 0.032612641433432774
  • Unit Cell Volume: 2943.643807446576
  • Molar Volume: 18.465663912235016
  • Full Formula: Se32 N16 Cl48
  • Reduced Formula: Se2NCl3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -366.70153852
  • Final energy per atom: -3.8198076929166667
  • 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.