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  1. Third-Parties
  2. MatprojStructure
  3. mp-707247

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-707247
  • 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: 41
  • Number of elements: 5
  • Element list: ['Na', 'Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-Na-O-P
  • Density: 2.4862870372546406
  • Atomic Density: 0.08752286406173795
  • Unit Cell Volume: 468.4490211732436
  • Molar Volume: 6.880648644852422
  • Full Formula: Na4 Cu1 P6 H8 O22
  • Reduced Formula: Na4CuP6(H4O11)2
  • Formula Anonymous: AB4C6D8E22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -265.79842846
  • Final energy per atom: -6.482888499024391
  • 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.