Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1104454

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-1104454
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ta', 'Ga', 'Te', 'Se']
  • Chemical System: Ga-Se-Ta-Te
  • Density: 8.039545116088934
  • Atomic Density: 0.03885764989737223
  • Unit Cell Volume: 334.5544579853536
  • Molar Volume: 15.497954137486966
  • Full Formula: Ta4 Ga1 Te4 Se4
  • Reduced Formula: Ta4Ga(TeSe)4
  • Formula Anonymous: AB4C4D4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -88.18649916
  • Final energy per atom: -6.783576858461538
  • 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.