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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208816

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-1208816
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'C', 'N']
  • Chemical System: C-Ca-N-Sr
  • Density: 3.7170392612892
  • Atomic Density: 0.05430568941803176
  • Unit Cell Volume: 662.913966948857
  • Molar Volume: 11.089336724266682
  • Full Formula: Sr12 Ca4 C4 N16
  • Reduced Formula: Sr3CaCN4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -231.07407139
  • Final energy per atom: -6.418724205277778
  • 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.