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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191473

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-1191473
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Nd', 'P', 'H', 'O']
  • Chemical System: H-Nd-O-P
  • Density: 2.9668205016901292
  • Atomic Density: 0.09031757115382191
  • Unit Cell Volume: 243.58493833421736
  • Molar Volume: 6.667739934838986
  • Full Formula: Nd1 P3 H6 O12
  • Reduced Formula: NdP3(HO2)6
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -150.48435135
  • Final energy per atom: -6.840197788636363
  • 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.