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  1. Third-Parties
  2. MatprojStructure
  3. mp-676934

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-676934
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 5
  • Element list: ['K', 'Ca', 'Nd', 'P', 'O']
  • Chemical System: Ca-K-Nd-O-P
  • Density: 3.6651027572018977
  • Atomic Density: 0.06941460964827179
  • Unit Cell Volume: 561.8413788914966
  • Molar Volume: 8.675609919172013
  • Full Formula: K3 Ca3 Nd3 P6 O24
  • Reduced Formula: KCaNd(PO4)2
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 172
  • Spacegroup Symbol: P6_4
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -301.69541993
  • Final energy per atom: -7.735779998205128
  • 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.