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  1. Third-Parties
  2. MatprojStructure
  3. mp-653891

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-653891
  • 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: 44
  • Number of elements: 4
  • Element list: ['Nb', 'Te', 'Se', 'I']
  • Chemical System: I-Nb-Se-Te
  • Density: 4.323981354022107
  • Atomic Density: 0.022599325011123713
  • Unit Cell Volume: 1946.9608042869672
  • Molar Volume: 26.647436403679382
  • Full Formula: Nb4 Te8 Se8 I24
  • Reduced Formula: NbTe2(SeI3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -157.99923467000002
  • Final energy per atom: -3.590891697045455
  • 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.