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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245413

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-1245413
  • 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: 44
  • Number of elements: 3
  • Element list: ['Na', 'Ca', 'N']
  • Chemical System: Ca-N-Na
  • Density: 2.1457383240836303
  • Atomic Density: 0.04700497405667409
  • Unit Cell Volume: 936.0711474268452
  • Molar Volume: 12.811709570861758
  • Full Formula: Na8 Ca20 N16
  • Reduced Formula: Na2Ca5N4
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -211.39206911
  • Final energy per atom: -4.804365207045454
  • 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.