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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220586

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-1220586
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Nb', 'V', 'Ir']
  • Chemical System: Ir-Nb-V
  • Density: 10.850070418821907
  • Atomic Density: 0.06406121750163449
  • Unit Cell Volume: 124.88054882497174
  • Molar Volume: 9.400603040125405
  • Full Formula: Nb3 V3 Ir2
  • Reduced Formula: Nb3V3Ir2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -78.47200376
  • Final energy per atom: -9.80900047
  • 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.