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  1. Third-Parties
  2. MatprojStructure
  3. mp-705525

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-705525
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 83
  • Number of elements: 4
  • Element list: ['Yb', 'H', 'N', 'O']
  • Chemical System: H-N-O-Yb
  • Density: 3.1121847597068832
  • Atomic Density: 0.07959316996097329
  • Unit Cell Volume: 1042.8030450439048
  • Molar Volume: 7.566152677362668
  • Full Formula: Yb6 H20 N8 O49
  • Reduced Formula: Yb6H20N8O49
  • Formula Anonymous: A6B8C20D49
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -486.01252523
  • Final energy per atom: -5.85557259313253
  • 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.