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  1. Third-Parties
  2. MatprojStructure
  3. mp-17605

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-17605
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Cs', 'Nd', 'P', 'O']
  • Chemical System: Cs-Nd-O-P
  • Density: 3.3264429090868584
  • Atomic Density: 0.060802710041149496
  • Unit Cell Volume: 592.0788723995403
  • Molar Volume: 9.90439530725586
  • Full Formula: Cs2 Nd2 P8 O24
  • Reduced Formula: CsNd(PO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -278.62952487
  • Final energy per atom: -7.739709024166667
  • 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.