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  1. Third-Parties
  2. MatprojStructure
  3. mp-530262

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-530262
  • 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: 104
  • Number of elements: 3
  • Element list: ['Li', 'Cr', 'N']
  • Chemical System: Cr-Li-N
  • Density: 2.2644128185257384
  • Atomic Density: 0.10610006393565931
  • Unit Cell Volume: 980.2067608843967
  • Molar Volume: 5.675906815336057
  • Full Formula: Li60 Cr8 N36
  • Reduced Formula: Li15Cr2N9
  • Formula Anonymous: A2B9C15
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -573.63612281
  • Final energy per atom: -5.5157319500961535
  • 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.