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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222572

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-1222572
  • 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: 12
  • Number of elements: 3
  • Element list: ['Li', 'Cu', 'N']
  • Chemical System: Cu-Li-N
  • Density: 2.7444712055901848
  • Atomic Density: 0.09110331784123632
  • Unit Cell Volume: 131.71858373931153
  • Molar Volume: 6.610232099883176
  • Full Formula: Li7 Cu2 N3
  • Reduced Formula: Li7Cu2N3
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -51.58546
  • Final energy per atom: -4.298788333333333
  • 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.