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{
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{
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"structure_string": "Li4 V4 P4 H4 O20\n1.0\n-0.722833 -1.959143 4.731207\n2.630513 5.162542 4.796853\n-7.555519 7.103163 0.064679\nLi V P H O\n4 4 4 4 20\ndirect\n0.134900 0.610626 0.214415 Li\n0.635617 0.110039 0.714166 Li\n0.864348 0.389882 0.785809 Li\n0.365124 0.889452 0.285611 Li\n0.499613 0.500212 0.499870 V\n0.750135 0.250013 0.250029 V\n0.249833 0.750001 0.749964 V\n0.000397 0.999778 0.000120 V\n0.379446 0.295967 0.935582 P\n0.878024 0.795716 0.435429 P\n0.622021 0.704321 0.064548 P\n0.120530 0.204000 0.564447 P\n0.162978 0.199359 0.141484 H\n0.664549 0.698621 0.641943 H\n0.835735 0.801160 0.858128 H\n0.336681 0.300872 0.358447 H\n0.453170 0.383879 0.337542 O\n0.953963 0.883270 0.838123 O\n0.546451 0.616444 0.661947 O\n0.046450 0.116361 0.162395 O\n0.434947 0.290691 0.087345 O\n0.933477 0.791097 0.586827 O\n0.566532 0.708996 0.913160 O\n0.065062 0.209240 0.412675 O\n0.804451 0.504608 0.157602 O\n0.303241 0.003375 0.657150 O\n0.196741 0.496546 0.842875 O\n0.695556 0.995435 0.342340 O\n0.207184 0.162181 0.910433 O\n0.706855 0.661188 0.410258 O\n0.793076 0.838972 0.089694 O\n0.292901 0.337643 0.589657 O\n0.655791 0.227743 0.889158 O\n0.155159 0.727527 0.389278 O\n0.344903 0.772518 0.110693 O\n0.844162 0.272265 0.610857 O\n",
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{
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{
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{
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{
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{
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"id": "mp-780485",
"created_at": "2022-09-04T14:47:17.416936Z",
"structure_string": "Li4 V4 P8 H4 O32\n1.0\n7.759890 0.000000 0.000000\n-0.012775 7.991985 0.000000\n-3.621264 -0.010310 9.032998\nLi V P H O\n4 4 8 4 32\ndirect\n0.648743 0.371216 0.773595 Li\n0.850759 0.870491 0.727965 Li\n0.353646 0.632689 0.221247 Li\n0.850765 0.870803 0.225874 Li\n0.013860 0.497278 0.752940 V\n0.486207 0.997204 0.747504 V\n0.998963 0.492711 0.253012 V\n0.491946 0.011933 0.251379 V\n0.230167 0.847963 0.933050 P\n0.736031 0.653752 0.932279 P\n0.268392 0.346468 0.566263 P\n0.231697 0.848350 0.430788 P\n0.761606 0.155033 0.567954 P\n0.738406 0.656782 0.433196 P\n0.268326 0.351463 0.067570 P\n0.762056 0.155981 0.066673 P\n0.508253 0.508467 0.991509 H\n0.509783 0.506980 0.491307 H\n0.988872 0.010396 0.512115 H\n0.989242 0.010306 0.012029 H\n0.052098 0.943860 0.906057 O\n0.136255 0.332344 0.903456 O\n0.184505 0.673175 0.861322 O\n0.351904 0.942951 0.859224 O\n0.559643 0.547431 0.905184 O\n0.641368 0.174513 0.900301 O\n0.686317 0.824095 0.853724 O\n0.847494 0.551304 0.855824 O\n0.151730 0.443617 0.644076 O\n0.315545 0.172798 0.639072 O\n0.359530 0.832121 0.595787 O\n0.447902 0.441077 0.590801 O\n0.654525 0.050616 0.647451 O\n0.812399 0.325497 0.646263 O\n0.051663 0.939544 0.406029 O\n0.137950 0.330358 0.402465 O\n0.855310 0.675686 0.600147 O\n0.940139 0.050570 0.595525 O\n0.192067 0.676402 0.351498 O\n0.351960 0.947322 0.356503 O\n0.554155 0.562240 0.406063 O\n0.639017 0.173700 0.403364 O\n0.687153 0.824291 0.349832 O\n0.856403 0.556451 0.361713 O\n0.154640 0.449002 0.147975 O\n0.316173 0.175594 0.134958 O\n0.355245 0.831454 0.099315 O\n0.439054 0.458729 0.092496 O\n0.653499 0.053781 0.145186 O\n0.817201 0.328518 0.137561 O\n0.855078 0.674495 0.099130 O\n0.938214 0.047620 0.095285 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.950361359004745,
"density_atomic": 0.09282419775770319,
"volume": 560.1987548088955,
"volume_molar": 6.4876841442997994,
"formula_full": "Li4 V4 P8 H4 O32",
"formula_reduced": "LiVP2HO8",
"formula_anonymous": "ABCD2E8",
"energy": -388.28921311,
"energy_per_atom": -7.467100252115385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -359.50521311,
"band_gap": 1.08,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0005235,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.278000Z",
"spacegroup": 1
}
]
}