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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222411

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-1222411
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Cu', 'N']
  • Chemical System: Ca-Cu-Li-N
  • Density: 3.1820594692340323
  • Atomic Density: 0.06435641836634062
  • Unit Cell Volume: 186.46158851929184
  • Molar Volume: 9.357482769969796
  • Full Formula: Li2 Ca4 Cu2 N4
  • Reduced Formula: LiCa2CuN2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -62.49522653000001
  • Final energy per atom: -5.207935544166667
  • 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.