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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226569

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-1226569
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Co', 'Re', 'B']
  • Chemical System: B-Co-Re
  • Density: 17.345460874679723
  • Atomic Density: 0.08421038622983554
  • Unit Cell Volume: 475.0007901736484
  • Molar Volume: 7.151304048842338
  • Full Formula: Co3 Re25 B12
  • Reduced Formula: Co3Re25B12
  • Formula Anonymous: A3B12C25
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -421.98093426
  • Final energy per atom: -10.5495233565
  • 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.