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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207969

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-1207969
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Y', 'Co', 'C', 'N', 'O']
  • Chemical System: C-Co-N-O-Y
  • Density: 1.9979555697875873
  • Atomic Density: 0.05954241780264959
  • Unit Cell Volume: 638.200486348222
  • Molar Volume: 10.114034636551185
  • Full Formula: Y2 Co2 C12 N12 O10
  • Reduced Formula: YCoC6N6O5
  • Formula Anonymous: ABC5D6E6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -276.01041451000003
  • Final energy per atom: -7.263431960789474
  • 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.