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  1. Third-Parties
  2. MatprojStructure
  3. mp-628633

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-628633
  • 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: 48
  • Number of elements: 4
  • Element list: ['Se', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-S-Se
  • Density: 2.9591504545914997
  • Atomic Density: 0.04218659807851057
  • Unit Cell Volume: 1137.8021027121104
  • Molar Volume: 14.275009207408974
  • Full Formula: Se16 S8 N16 Cl8
  • Reduced Formula: Se2SN2Cl
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -233.1428697
  • Final energy per atom: -4.85714311875
  • 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.