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  1. Third-Parties
  2. MatprojStructure
  3. mp-567713

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-567713
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Nb', 'Te', 'I']
  • Chemical System: I-Nb-Te
  • Density: 5.727549050157333
  • Atomic Density: 0.029306225358414813
  • Unit Cell Volume: 375.3468713718714
  • Molar Volume: 20.54901539297294
  • Full Formula: Nb3 Te1 I7
  • Reduced Formula: Nb3TeI7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -53.14382969
  • Final energy per atom: -4.831257244545454
  • 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.