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  1. Third-Parties
  2. MatprojStructure
  3. mp-510057

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-510057
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Gd', 'Nb', 'S', 'O']
  • Chemical System: Gd-Nb-O-S
  • Density: 6.581335478190754
  • Atomic Density: 0.06014646184279312
  • Unit Cell Volume: 731.5476031658241
  • Molar Volume: 10.012460542966396
  • Full Formula: Gd12 Nb4 S12 O16
  • Reduced Formula: Gd3NbS3O4
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -471.15710242
  • Final energy per atom: -10.70811596409091
  • 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.