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  1. Third-Parties
  2. MatprojStructure
  3. mp-505260

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-505260
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Te', 'Mo', 'I']
  • Chemical System: I-Mo-Te
  • Density: 4.6127601130263995
  • Atomic Density: 0.022553491035213893
  • Unit Cell Volume: 2039.595552111108
  • Molar Volume: 26.701590235397845
  • Full Formula: Te20 Mo6 I20
  • Reduced Formula: Te10Mo3I10
  • Formula Anonymous: A3B10C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -185.45484255
  • Final energy per atom: -4.031627011956521
  • 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.