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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220611

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-1220611
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Nb', 'V', 'B', 'Ir']
  • Chemical System: B-Ir-Nb-V
  • Density: 10.46700869461715
  • Atomic Density: 0.09077561585434488
  • Unit Cell Volume: 220.3234845808289
  • Molar Volume: 6.634095184397206
  • Full Formula: Nb3 V5 B8 Ir4
  • Reduced Formula: Nb3V5(B2Ir)4
  • Formula Anonymous: A3B4C5D8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -178.27928323000003
  • Final energy per atom: -8.913964161500001
  • 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.