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  1. Third-Parties
  2. MatprojStructure
  3. mp-504406

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-504406
  • 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: 90
  • Number of elements: 3
  • Element list: ['Cr', 'P', 'O']
  • Chemical System: Cr-O-P
  • Density: 2.7129916704647976
  • Atomic Density: 0.07361463970393137
  • Unit Cell Volume: 1222.5829041881948
  • Molar Volume: 8.180629266434336
  • Full Formula: Cr8 P18 O64
  • Reduced Formula: Cr4P9O32
  • Formula Anonymous: A4B9C32
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -698.597179
  • Final energy per atom: -7.762190877777778
  • 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.