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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198580

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-1198580
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['K', 'Nd', 'H', 'N', 'O']
  • Chemical System: H-K-N-Nd-O
  • Density: 2.4523728885226874
  • Atomic Density: 0.07533725307298202
  • Unit Cell Volume: 769.871446518142
  • Molar Volume: 7.993576237994937
  • Full Formula: K4 Nd2 H8 N10 O34
  • Reduced Formula: K2NdH4N5O17
  • Formula Anonymous: AB2C4D5E17
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -375.17989226
  • Final energy per atom: -6.468618832068965
  • 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.