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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195779

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-1195779
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 6
  • Element list: ['Na', 'Nd', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-Na-Nd-O-P
  • Density: 3.344592142939348
  • Atomic Density: 0.07938658139404535
  • Unit Cell Volume: 705.4088866988353
  • Molar Volume: 7.585842159027282
  • Full Formula: Na4 Nd4 P8 H8 C4 O28
  • Reduced Formula: NaNdP2H2CO7
  • Formula Anonymous: ABCD2E2F7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -385.19732658
  • Final energy per atom: -6.8785236889285715
  • 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.