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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203696

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-1203696
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 6
  • Element list: ['Na', 'Cu', 'P', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-Na-O-P
  • Density: 2.8176223674817926
  • Atomic Density: 0.07273427290855448
  • Unit Cell Volume: 659.9364794688775
  • Molar Volume: 8.279646608375897
  • Full Formula: Na12 Cu4 P4 H4 Cl4 O20
  • Reduced Formula: Na3CuPHClO5
  • Formula Anonymous: ABCDE3F5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -267.33343886
  • Final energy per atom: -5.569446642916667
  • 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.