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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198865

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-1198865
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['Yb', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Yb
  • Density: 1.9994937020515442
  • Atomic Density: 0.08535385921321928
  • Unit Cell Volume: 702.9559126332676
  • Molar Volume: 7.055499089919667
  • Full Formula: Yb2 H24 C16 N2 O16
  • Reduced Formula: YbH12C8NO8
  • Formula Anonymous: ABC8D8E12
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -384.46703005
  • Final energy per atom: -6.407783834166667
  • 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.