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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207937

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-1207937
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['Y', 'B', 'C']
  • Chemical System: B-C-Y
  • Density: 4.7925834369425075
  • Atomic Density: 0.0718319503453018
  • Unit Cell Volume: 1503.5092250848759
  • Molar Volume: 8.383652025388562
  • Full Formula: Y40 B28 C40
  • Reduced Formula: Y10B7C10
  • Formula Anonymous: A7B10C10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -860.3167867
  • Final energy per atom: -7.965896173148148
  • 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.