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{
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{
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"id": "mp-746817",
"created_at": "2022-09-04T14:45:22.013304Z",
"structure_string": "Na2 V4 P4 H16 O28\n1.0\n6.362123 0.003548 0.290934\n-0.037171 6.266573 1.079256\n0.012217 0.012446 13.446333\nNa V P H O\n2 4 4 16 28\ndirect\n0.414073 0.011409 0.747001 Na\n0.585927 0.988591 0.252999 Na\n0.241037 0.735994 0.546410 V\n0.758963 0.264006 0.453590 V\n0.755955 0.761147 0.952387 V\n0.244045 0.238853 0.047614 V\n0.748454 0.747416 0.502050 P\n0.251546 0.252584 0.497950 P\n0.749821 0.248687 0.001855 P\n0.250179 0.751313 0.998145 P\n0.348612 0.550352 0.742400 H\n0.651388 0.449648 0.257600 H\n0.157518 0.677132 0.785439 H\n0.842482 0.322868 0.214561 H\n0.819627 0.758674 0.728768 H\n0.180373 0.241326 0.271232 H\n0.864853 0.984229 0.755862 H\n0.135147 0.015771 0.244138 H\n0.080029 0.284216 0.692820 H\n0.919971 0.715784 0.307180 H\n0.020334 0.228409 0.811171 H\n0.979666 0.771591 0.188829 H\n0.617213 0.430837 0.689695 H\n0.382787 0.569163 0.310305 H\n0.615768 0.397088 0.810001 H\n0.384232 0.602912 0.189999 H\n0.251987 0.779954 0.423522 O\n0.748013 0.220046 0.576478 O\n0.221144 0.418997 0.569908 O\n0.778856 0.581003 0.430092 O\n0.263165 0.033034 0.568871 O\n0.736835 0.966966 0.431129 O\n0.933258 0.738766 0.574489 O\n0.066742 0.261234 0.425511 O\n0.546249 0.701186 0.571018 O\n0.453751 0.298814 0.428982 O\n0.450695 0.788582 0.927888 O\n0.549305 0.211418 0.072112 O\n0.066778 0.750983 0.926425 O\n0.933222 0.249017 0.073575 O\n0.748409 0.706394 0.073954 O\n0.251591 0.293606 0.926046 O\n0.740659 0.461070 0.924643 O\n0.259341 0.538930 0.075357 O\n0.776547 0.075236 0.934828 O\n0.223453 0.924764 0.065172 O\n0.248951 0.673673 0.724957 O\n0.751049 0.326327 0.275043 O\n0.769827 0.854863 0.774410 O\n0.230173 0.145137 0.225590 O\n0.052304 0.167456 0.750317 O\n0.947696 0.832544 0.249683 O\n0.536246 0.371468 0.751722 O\n0.463754 0.628532 0.248278 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Na",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P-V",
"density": 2.5954570983411758,
"density_atomic": 0.10074967455729779,
"volume": 535.9818802123219,
"volume_molar": 5.977330236014929,
"formula_full": "Na2 V4 P4 H16 O28",
"formula_reduced": "NaV2P2(H4O7)2",
"formula_anonymous": "AB2C2D8E14",
"energy": -359.8786703,
"energy_per_atom": -6.66441982037037,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -333.8426703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.242000Z",
"spacegroup": 2
}
]
}