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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203978

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-1203978
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['Sb', 'Se', 'N', 'Cl']
  • Chemical System: Cl-N-Sb-Se
  • Density: 2.5806745300326273
  • Atomic Density: 0.0323039609991099
  • Unit Cell Volume: 4457.657684887861
  • Molar Volume: 18.642112526590576
  • Full Formula: Sb12 Se24 N12 Cl96
  • Reduced Formula: SbSe2NCl8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -519.75474183
  • Final energy per atom: -3.6094079293749997
  • 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.