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  1. Third-Parties
  2. MatprojStructure
  3. mp-21763

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-21763
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Nd', 'Cu', 'P']
  • Chemical System: Cu-Nd-P
  • Density: 7.343774538105975
  • Atomic Density: 0.06724468107210924
  • Unit Cell Volume: 624.5847155548507
  • Molar Volume: 8.955564460990175
  • Full Formula: Nd6 Cu24 P12
  • Reduced Formula: Nd(Cu2P)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -214.27844016
  • Final energy per atom: -5.101867622857143
  • 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.