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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201082

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-1201082
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 2
  • Element list: ['Y', 'C']
  • Chemical System: C-Y
  • Density: 4.970138910566863
  • Atomic Density: 0.0651591509825867
  • Unit Cell Volume: 1043.598619297119
  • Molar Volume: 9.242202621101328
  • Full Formula: Y30 C38
  • Reduced Formula: Y15C19
  • Formula Anonymous: A15B19
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -565.57091444
  • Final energy per atom: -8.31721933
  • 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.