Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1213390

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-1213390
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 4
  • Element list: ['Li', 'Nd', 'N', 'O']
  • Chemical System: Li-N-Nd-O
  • Density: 2.5876322552584674
  • Atomic Density: 0.07490646139057391
  • Unit Cell Volume: 2349.597040531773
  • Molar Volume: 8.039547788273728
  • Full Formula: Li12 Nd8 N36 O120
  • Reduced Formula: Li3Nd2(N3O10)3
  • Formula Anonymous: A2B3C9D30
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -1164.73062617
  • Final energy per atom: -6.617787648693182
  • 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.