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  1. Third-Parties
  2. MatprojStructure
  3. mp-684950

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-684950
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Zr', 'Be', 'P', 'O']
  • Chemical System: Be-K-Na-O-P-Zr
  • Density: 2.9220076089098956
  • Atomic Density: 0.06944981435598163
  • Unit Cell Volume: 359.9721645310169
  • Molar Volume: 8.671212177950654
  • Full Formula: K1 Na1 Zr2 Be1 P4 O16
  • Reduced Formula: KNaZr2Be(PO4)4
  • Formula Anonymous: ABCD2E4F16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -178.66744934
  • Final energy per atom: -7.146697973599999
  • 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.