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  1. Third-Parties
  2. MatprojStructure
  3. mp-695699

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-695699
  • 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: 40
  • Number of elements: 6
  • Element list: ['Te', 'As', 'S', 'N', 'Cl', 'F']
  • Chemical System: As-Cl-F-N-S-Te
  • Density: 2.4948524751710535
  • Atomic Density: 0.04089606777499833
  • Unit Cell Volume: 978.0891458824768
  • Molar Volume: 14.725476280831126
  • Full Formula: Te4 As2 S8 N8 Cl6 F12
  • Reduced Formula: Te2AsS4N4(ClF2)3
  • Formula Anonymous: AB2C3D4E4F6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -190.61574713
  • Final energy per atom: -4.76539367825
  • 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.