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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208990

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-1208990
  • Created at: Sept. 4, 2022, 2:46 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: ['Sc', 'Co', 'B', 'Ir']
  • Chemical System: B-Co-Ir-Sc
  • Density: 14.022251675454235
  • Atomic Density: 0.07462668262086614
  • Unit Cell Volume: 268.000657373558
  • Molar Volume: 8.069688412380492
  • Full Formula: Sc4 Co2 B4 Ir10
  • Reduced Formula: Sc2CoB2Ir5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -167.27564918
  • Final energy per atom: -8.363782459
  • 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.