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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220983

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-1220983
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Na', 'Mo', 'P', 'O']
  • Chemical System: Mo-Na-O-P
  • Density: 3.2578034328978043
  • Atomic Density: 0.07321070984875953
  • Unit Cell Volume: 286.84327803107374
  • Molar Volume: 8.225764744585437
  • Full Formula: Na1 Mo2 P4 O14
  • Reduced Formula: NaMo2(P2O7)2
  • Formula Anonymous: AB2C4D14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -167.28736365
  • Final energy per atom: -7.966064935714286
  • 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.