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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181353

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-1181353
  • 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: 98
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'P', 'O']
  • Chemical System: Ca-Na-O-P
  • Density: 1.9634334080090328
  • Atomic Density: 0.059127350102551025
  • Unit Cell Volume: 1657.4394054532781
  • Molar Volume: 10.185034082459543
  • Full Formula: Na8 Ca4 P16 O70
  • Reduced Formula: Na4Ca2P8O35
  • Formula Anonymous: A2B4C8D35
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -617.97089696
  • Final energy per atom: -6.305825479183674
  • 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.