Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-28470

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-28470
  • 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: 41
  • Number of elements: 3
  • Element list: ['Ta', 'Te', 'I']
  • Chemical System: I-Ta-Te
  • Density: 6.134423916339457
  • Atomic Density: 0.027056365306253417
  • Unit Cell Volume: 1515.3550573374264
  • Molar Volume: 22.257759650399638
  • Full Formula: Ta7 Te24 I10
  • Reduced Formula: Ta7(Te12I5)2
  • Formula Anonymous: A7B10C24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -200.07935903
  • Final energy per atom: -4.879984366585366
  • 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.