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  1. Third-Parties
  2. MatprojStructure
  3. mp-720337

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-720337
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 67
  • Number of elements: 5
  • Element list: ['Na', 'Cu', 'P', 'H', 'O']
  • Chemical System: Cu-H-Na-O-P
  • Density: 1.538888843594761
  • Atomic Density: 0.07466810570113436
  • Unit Cell Volume: 897.304135023505
  • Molar Volume: 8.065211650211332
  • Full Formula: Na6 Cu1 P4 H26 O30
  • Reduced Formula: Na6CuP4(H13O15)2
  • Formula Anonymous: AB4C6D26E30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -347.00932133000003
  • Final energy per atom: -5.179243601940299
  • 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.