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  1. Third-Parties
  2. MatprojStructure
  3. mp-505164

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-505164
  • 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: 24
  • Number of elements: 3
  • Element list: ['Nb', 'Te', 'Ir']
  • Chemical System: Ir-Nb-Te
  • Density: 7.969474415290768
  • Atomic Density: 0.03619752575620228
  • Unit Cell Volume: 663.0287429490318
  • Molar Volume: 16.636885074853865
  • Full Formula: Nb4 Te16 Ir4
  • Reduced Formula: NbTe4Ir
  • Formula Anonymous: ABC4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -142.49222065
  • Final energy per atom: -5.937175860416667
  • 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.