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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191870

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-1191870
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Y', 'Ni', 'C']
  • Chemical System: C-Ni-Y
  • Density: 7.084030080092584
  • Atomic Density: 0.07678894343367915
  • Unit Cell Volume: 273.4768712912064
  • Molar Volume: 7.842458159619277
  • Full Formula: Y4 Ni13 C4
  • Reduced Formula: Y4Ni13C4
  • Formula Anonymous: A4B4C13
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -144.92093707
  • Final energy per atom: -6.900997003333334
  • 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.