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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205326

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-1205326
  • 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: 20
  • Number of elements: 3
  • Element list: ['Tb', 'Pt', 'I']
  • Chemical System: I-Pt-Tb
  • Density: 6.1096944647063784
  • Atomic Density: 0.025998617806810582
  • Unit Cell Volume: 769.271664694452
  • Molar Volume: 23.163311237347568
  • Full Formula: Tb7 Pt1 I12
  • Reduced Formula: Tb7PtI12
  • Formula Anonymous: AB7C12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -87.33989821
  • Final energy per atom: -4.3669949105
  • 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.