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  1. Third-Parties
  2. MatprojStructure
  3. mp-23238

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-23238
  • 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: 40
  • Number of elements: 2
  • Element list: ['Ta', 'I']
  • Chemical System: I-Ta
  • Density: 5.916593574267447
  • Atomic Density: 0.024896019759277948
  • Unit Cell Volume: 1606.6825294470327
  • Molar Volume: 24.189170872407193
  • Full Formula: Ta12 I28
  • Reduced Formula: Ta3I7
  • Formula Anonymous: A3B7
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -214.62064373
  • Final energy per atom: -5.36551609325
  • 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.