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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223043

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-1223043
  • 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: 19
  • Number of elements: 4
  • Element list: ['La', 'Nd', 'S', 'O']
  • Chemical System: La-Nd-O-S
  • Density: 5.8800481825606745
  • Atomic Density: 0.04900762619006046
  • Unit Cell Volume: 387.6947625725546
  • Molar Volume: 12.288170695403704
  • Full Formula: La4 Nd4 S4 O7
  • Reduced Formula: La4Nd4S4O7
  • Formula Anonymous: A4B4C4D7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -153.10081703
  • Final energy per atom: -8.057937738421053
  • 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.