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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205055

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-1205055
  • 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: 54
  • Number of elements: 6
  • Element list: ['Te', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-S-Te
  • Density: 1.5074976573522931
  • Atomic Density: 0.03986545884107837
  • Unit Cell Volume: 1354.5560886497822
  • Molar Volume: 15.106161913266716
  • Full Formula: Te2 C8 S8 N16 Cl4 O16
  • Reduced Formula: TeC4S4N8(ClO4)2
  • Formula Anonymous: AB2C4D4E8F8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -329.10938768999995
  • Final energy per atom: -6.094618290555554
  • 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.