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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192964

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-1192964
  • 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: 28
  • Number of elements: 3
  • Element list: ['Y', 'N', 'O']
  • Chemical System: N-O-Y
  • Density: 2.5112404574073444
  • Atomic Density: 0.07277693032298412
  • Unit Cell Volume: 384.7373044690943
  • Molar Volume: 8.274793582628082
  • Full Formula: Y2 N6 O20
  • Reduced Formula: YN3O10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -195.12622468
  • Final energy per atom: -6.968793738571429
  • 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.