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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201255

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-1201255
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['U', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-U
  • Density: 3.429097758492749
  • Atomic Density: 0.05877224091987062
  • Unit Cell Volume: 918.8011066929192
  • Molar Volume: 10.246573323978774
  • Full Formula: U4 Ni2 P4 O44
  • Reduced Formula: U2Ni(PO11)2
  • Formula Anonymous: AB2C2D22
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -357.04998192
  • Final energy per atom: -6.612036702222222
  • 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.