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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191304

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-1191304
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Nd', 'S', 'N', 'O']
  • Chemical System: N-Nd-O-S
  • Density: 2.799894823547866
  • Atomic Density: 0.05881209144042536
  • Unit Cell Volume: 425.0826554149013
  • Molar Volume: 10.239630342172447
  • Full Formula: Nd2 S4 N2 O17
  • Reduced Formula: Nd2S4N2O17
  • Formula Anonymous: A2B2C4D17
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -161.89297507
  • Final energy per atom: -6.4757190028
  • 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.