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  1. Third-Parties
  2. MatprojStructure
  3. mp-707981

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-707981
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Y', 'H', 'N', 'O']
  • Chemical System: H-N-O-Y
  • Density: 3.422914357464881
  • Atomic Density: 0.09486351893097573
  • Unit Cell Volume: 569.2388455386237
  • Molar Volume: 6.348215655358313
  • Full Formula: Y8 H18 N2 O26
  • Reduced Formula: Y4H9NO13
  • Formula Anonymous: AB4C9D13
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -379.71608292
  • Final energy per atom: -7.031779313333334
  • 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.