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  1. Third-Parties
  2. MatprojStructure
  3. mp-29274

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-29274
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['P', 'Pd', 'O']
  • Chemical System: O-P-Pd
  • Density: 3.376111581622002
  • Atomic Density: 0.06921624168249986
  • Unit Cell Volume: 260.05457046580716
  • Molar Volume: 8.700473492369055
  • Full Formula: P4 Pd2 O12
  • Reduced Formula: P2PdO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -130.41254255
  • Final energy per atom: -7.2451412527777785
  • 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.