Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-9815

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-9815
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ta', 'Tl', 'Cu', 'S']
  • Chemical System: Cu-S-Ta-Tl
  • Density: 5.3915874215011685
  • Atomic Density: 0.040542844759365836
  • Unit Cell Volume: 394.6442361152723
  • Molar Volume: 14.853769625055284
  • Full Formula: Ta2 Tl2 Cu4 S8
  • Reduced Formula: TaTl(CuS2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -92.29293593
  • Final energy per atom: -5.768308495625
  • 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.