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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221346

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-1221346
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Na', 'Nd', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-Na-Nd-O
  • Density: 3.836403257012643
  • Atomic Density: 0.040405838231299646
  • Unit Cell Volume: 841.4625580929669
  • Molar Volume: 14.90413520325154
  • Full Formula: Na4 Nd8 N2 Cl18 O2
  • Reduced Formula: Na2Nd4NCl9O
  • Formula Anonymous: ABC2D4E9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -192.81896387
  • Final energy per atom: -5.67114599617647
  • 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.