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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220991

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-1220991
  • 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: 88
  • Number of elements: 4
  • Element list: ['Nd', 'Si', 'Mo', 'O']
  • Chemical System: Mo-Nd-O-Si
  • Density: 5.960791290600113
  • Atomic Density: 0.07390559645175693
  • Unit Cell Volume: 1190.708203775115
  • Molar Volume: 8.148423190023303
  • Full Formula: Nd12 Si4 Mo16 O56
  • Reduced Formula: Nd3Si(Mo2O7)2
  • Formula Anonymous: AB3C4D14
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -771.6521931699999
  • Final energy per atom: -8.768774922386363
  • 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.