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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220514

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-1220514
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Nb', 'Cr', 'B', 'Ru']
  • Chemical System: B-Cr-Nb-Ru
  • Density: 9.799567933535133
  • Atomic Density: 0.0751549566032696
  • Unit Cell Volume: 266.1168458332914
  • Molar Volume: 8.012965521076502
  • Full Formula: Nb5 Cr1 B4 Ru10
  • Reduced Formula: Nb5Cr(B2Ru5)2
  • Formula Anonymous: AB4C5D10
  • Spacegroup Number: 83
  • Spacegroup Symbol: P4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -187.723982
  • Final energy per atom: -9.3861991
  • 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.