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  1. Third-Parties
  2. MatprojStructure
  3. mp-18560

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-18560
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Np', 'P', 'O', 'F']
  • Chemical System: F-Np-O-P
  • Density: 5.986555053524054
  • Atomic Density: 0.07190452440884205
  • Unit Cell Volume: 389.4052596856737
  • Molar Volume: 8.375190308969573
  • Full Formula: Np4 P4 O16 F4
  • Reduced Formula: NpPO4F
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -250.55076678
  • Final energy per atom: -8.948241670714285
  • 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.