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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211215

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-1211215
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Li', 'Nd', 'N', 'O']
  • Chemical System: Li-N-Nd-O
  • Density: 2.733663486426502
  • Atomic Density: 0.08087981594786744
  • Unit Cell Volume: 1137.4902244992777
  • Molar Volume: 7.445789396802882
  • Full Formula: Li8 Nd4 N20 O60
  • Reduced Formula: Li2Nd(NO3)5
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -629.79990191
  • Final energy per atom: -6.845651107717392
  • 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.