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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227791

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-1227791
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ca', 'Cd', 'P', 'O']
  • Chemical System: Ca-Cd-O-P
  • Density: 4.117524704171714
  • Atomic Density: 0.07917187713509678
  • Unit Cell Volume: 555.7528960052264
  • Molar Volume: 7.606414017093444
  • Full Formula: Ca3 Cd5 P8 O28
  • Reduced Formula: Ca3Cd5(P2O7)4
  • Formula Anonymous: A3B5C8D28
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -310.14864377
  • Final energy per atom: -7.048832812954545
  • 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.