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  1. Third-Parties
  2. MatprojStructure
  3. mp-1405450

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-1405450
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Cr', 'N']
  • Chemical System: Ca-Cr-N
  • Density: 3.004769172017489
  • Atomic Density: 0.06056212459653883
  • Unit Cell Volume: 214.65561333267624
  • Molar Volume: 9.943740910873148
  • Full Formula: Ca5 Cr2 N6
  • Reduced Formula: Ca5(CrN3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -92.30338218
  • Final energy per atom: -7.100260167692308
  • 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.