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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101132

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-1101132
  • 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: 13
  • Number of elements: 3
  • Element list: ['Te', 'As', 'I']
  • Chemical System: As-I-Te
  • Density: 5.685492871454276
  • Atomic Density: 0.03191373909908354
  • Unit Cell Volume: 407.3480691071175
  • Molar Volume: 18.870057003671302
  • Full Formula: Te7 As5 I1
  • Reduced Formula: Te7As5I
  • Formula Anonymous: AB5C7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -46.40653544
  • Final energy per atom: -3.5697334953846154
  • 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.