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  1. Third-Parties
  2. MatprojStructure
  3. mp-686607

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-686607
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 151
  • Number of elements: 5
  • Element list: ['K', 'Nd', 'Zr', 'P', 'O']
  • Chemical System: K-Nd-O-P-Zr
  • Density: 3.267222954252982
  • Atomic Density: 0.06326049047500702
  • Unit Cell Volume: 2386.9558845683805
  • Molar Volume: 9.519592268066953
  • Full Formula: K15 Nd7 Zr9 P24 O96
  • Reduced Formula: K15Nd7Zr9(PO4)24
  • Formula Anonymous: A7B9C15D24E96
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1207.21722456
  • Final energy per atom: -7.994816056688742
  • 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.