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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211880

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-1211880
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['K', 'Yb', 'P', 'O']
  • Chemical System: K-O-P-Yb
  • Density: 3.707204951465392
  • Atomic Density: 0.05981196585830028
  • Unit Cell Volume: 1270.6487558033216
  • Molar Volume: 10.068454821008512
  • Full Formula: K8 Yb8 P12 O48
  • Reduced Formula: K2Yb2(PO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -533.87804898
  • Final energy per atom: -7.024711170789474
  • 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.