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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193756

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-1193756
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Te', 'Ir', 'Cl']
  • Chemical System: Cl-Ir-Te
  • Density: 4.722324670518262
  • Atomic Density: 0.031987207319774925
  • Unit Cell Volume: 937.8749354418819
  • Molar Volume: 18.826716255023083
  • Full Formula: Te14 Ir2 Cl14
  • Reduced Formula: Te7IrCl7
  • Formula Anonymous: AB7C7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -109.50247813
  • Final energy per atom: -3.6500826043333334
  • 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.