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  1. Third-Parties
  2. MatprojStructure
  3. mp-558333

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-558333
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Nd', 'Ga', 'S', 'O']
  • Chemical System: Ga-Nd-O-S
  • Density: 5.033990553259316
  • Atomic Density: 0.04833775953871822
  • Unit Cell Volume: 2482.531278759017
  • Molar Volume: 12.458460668157999
  • Full Formula: Nd32 Ga16 S40 O32
  • Reduced Formula: Nd4Ga2S5O4
  • Formula Anonymous: A2B4C4D5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -839.53405752
  • Final energy per atom: -6.9961171460000005
  • 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.