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{
"id": "jvasp-43994",
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"structure_string": "Li1 V1 P4 H4 O14\n1.0\n5.304672 0.143520 -0.015167\n2.611446 6.508044 -0.347920\n1.192485 0.346923 7.517687\nLi V P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.000000 V\n0.332983 0.238609 0.314183 P\n0.372816 0.651168 0.226890 P\n0.627184 0.348831 0.773110 P\n0.667017 0.761390 0.685817 P\n0.055119 0.811481 0.446140 H\n0.673599 0.940778 0.338206 H\n0.326401 0.059221 0.661794 H\n0.944881 0.188518 0.553860 H\n0.823331 0.308095 0.911650 O\n0.653643 0.652083 0.156706 O\n0.579396 0.568012 0.683294 O\n0.759803 0.186173 0.619247 O\n0.382103 0.943811 0.753224 O\n0.617897 0.056188 0.246776 O\n0.216570 0.208813 0.501775 O\n0.420604 0.431987 0.316706 O\n0.346358 0.347916 0.843294 O\n0.176669 0.691904 0.088350 O\n0.783430 0.791186 0.498225 O\n0.133452 0.279855 0.179768 O\n0.240198 0.813825 0.380753 O\n0.866549 0.720144 0.820232 O\n",
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{
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"structure_string": "Li3 V2 P4 H2 O16\n1.0\n4.845402 -0.008293 -0.009861\n1.893135 7.216016 -0.030518\n0.058206 0.043004 7.938686\nLi V P H O\n3 2 4 2 16\ndirect\n0.385509 0.155367 0.867038 Li\n0.607273 0.842388 0.131588 Li\n0.897055 0.647118 0.627867 Li\n0.493317 0.006984 0.501545 V\n0.002657 0.496606 0.003295 V\n0.634501 0.239818 0.160108 P\n0.869265 0.265518 0.654031 P\n0.130873 0.738150 0.345670 P\n0.371217 0.763920 0.845919 P\n0.466805 0.510423 0.491001 H\n0.974319 0.012111 0.011489 H\n0.651670 0.145392 0.680398 O\n0.848548 0.358453 0.172518 O\n0.741111 0.446362 0.563700 O\n0.623754 0.651756 0.953795 O\n0.485909 0.808134 0.673077 O\n0.762403 0.052760 0.061248 O\n0.350161 0.855114 0.321781 O\n0.149797 0.647091 0.825185 O\n0.543526 0.184338 0.332202 O\n0.378949 0.338110 0.049370 O\n0.254104 0.557898 0.447336 O\n0.987348 0.307802 0.827224 O\n0.020998 0.690322 0.174435 O\n0.127168 0.142515 0.555168 O\n0.251777 0.945296 0.943079 O\n0.874423 0.845558 0.452903 O\n",
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{
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"updated_at": "2022-09-04T14:38:28.228116Z",
"structure_string": "Li3 V1 P2 H1 O8\n1.0\n5.018022 0.057631 0.027311\n-2.069747 4.625696 -0.000994\n-0.029432 -0.038482 6.146704\nLi V P H O\n3 1 2 1 8\ndirect\n0.617103 0.223733 0.758082 Li\n0.000000 0.000000 0.500000 Li\n0.382897 0.776268 0.241918 Li\n0.000000 0.000000 0.000000 V\n0.638657 0.362110 0.245582 P\n0.361343 0.637891 0.754417 P\n0.000000 0.500001 0.500000 H\n0.755242 0.251405 0.050897 O\n0.776273 0.296838 0.460358 O\n0.305666 0.195722 0.261979 O\n0.271771 0.307441 0.764134 O\n0.728229 0.692560 0.235866 O\n0.694334 0.804279 0.738021 O\n0.223726 0.703163 0.539642 O\n0.244758 0.748596 0.949103 O\n",
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"formula_full": "Li3 V1 P2 H1 O8",
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{
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"updated_at": "2022-09-04T14:37:05.533276Z",
"structure_string": "Li2 V2 P2 H2 O10\n1.0\n5.365540 -0.182520 -0.064130\n-1.173811 5.977680 -0.011334\n-1.602416 -1.999720 6.015110\nLi V P H O\n2 2 2 2 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.761196 0.381414 0.272367 V\n0.238804 0.618586 0.727634 V\n0.345824 0.554316 0.232517 P\n0.654176 0.445684 0.767484 P\n0.662238 0.939647 0.157648 H\n0.337762 0.060353 0.842352 H\n0.177053 0.921064 0.759322 O\n0.164773 0.590313 0.385849 O\n0.336012 0.288368 0.154873 O\n0.663988 0.711633 0.845127 O\n0.651370 0.681720 0.364238 O\n0.822947 0.078936 0.240679 O\n0.254679 0.653157 0.042524 O\n0.745321 0.346843 0.957477 O\n0.835226 0.409687 0.614152 O\n0.348629 0.318280 0.635763 O\n",
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{
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"created_at": "2022-09-04T14:38:08.659581Z",
"updated_at": "2022-09-04T14:38:08.659604Z",
"structure_string": "Li2 V2 P4 H2 O16\n1.0\n4.839508 -0.032900 -0.002520\n1.947719 7.141464 -0.008856\n0.004873 0.008097 7.879068\nLi V P H O\n2 2 4 2 16\ndirect\n0.401657 0.145079 0.876972 Li\n0.901858 0.645023 0.625930 Li\n0.491782 0.004551 0.495919 V\n0.991685 0.504585 0.007033 V\n0.131054 0.741217 0.342154 P\n0.371093 0.763693 0.844744 P\n0.630918 0.241219 0.160754 P\n0.871094 0.263699 0.658175 P\n0.968763 0.011731 0.012382 H\n0.468932 0.511740 0.490435 H\n0.834551 0.368723 0.176962 O\n0.744195 0.444376 0.564622 O\n0.635305 0.641475 0.943198 O\n0.487943 0.807290 0.670228 O\n0.755187 0.061568 0.054876 O\n0.657729 0.140122 0.680217 O\n0.334738 0.868686 0.325952 O\n0.157834 0.640044 0.822702 O\n0.547334 0.185513 0.336871 O\n0.363242 0.342793 0.056672 O\n0.255388 0.561526 0.447945 O\n0.987799 0.307355 0.832705 O\n0.047329 0.685571 0.166054 O\n0.135355 0.141361 0.559807 O\n0.243998 0.944416 0.938217 O\n0.863424 0.842781 0.446320 O\n",
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},
{
"id": "jvasp-96811",
"created_at": "2022-09-04T14:36:11.682211Z",
"updated_at": "2022-09-04T14:36:11.682231Z",
"structure_string": "Li2 U2 P2 H16 O20\n1.0\n6.902416 -0.000000 0.000000\n0.000000 6.902416 0.000000\n0.000000 -0.000000 9.031691\nLi U P H O\n2 2 2 16 20\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.250000 0.250000 0.104302 U\n0.750000 0.750000 0.895698 U\n0.750000 0.250000 0.000000 P\n0.250000 0.750000 0.000000 P\n0.584106 0.895692 0.385392 H\n0.424842 0.835312 0.270933 H\n0.835312 0.075158 0.270933 H\n0.075158 0.664689 0.270933 H\n0.084105 0.395692 0.614608 H\n0.604309 0.584106 0.385392 H\n0.164688 0.924842 0.729066 H\n0.104308 0.084105 0.614608 H\n0.575159 0.164688 0.729066 H\n0.924842 0.335312 0.729066 H\n0.895692 0.915895 0.385392 H\n0.664689 0.424842 0.270933 H\n0.395692 0.415895 0.614608 H\n0.915895 0.604309 0.385392 H\n0.335312 0.575159 0.729066 H\n0.415895 0.104308 0.614608 H\n0.750000 0.750000 0.693916 O\n0.250000 0.250000 0.306084 O\n0.471104 0.806931 0.372538 O\n0.078835 0.805048 0.897447 O\n0.028897 0.693070 0.372538 O\n0.578835 0.305048 0.102552 O\n0.806931 0.028897 0.372538 O\n0.693070 0.471104 0.372538 O\n0.971104 0.306931 0.627462 O\n0.421166 0.694952 0.897447 O\n0.750000 0.750000 0.097280 O\n0.528897 0.193069 0.627462 O\n0.193069 0.971104 0.627462 O\n0.305048 0.921166 0.102552 O\n0.921166 0.194952 0.102552 O\n0.250000 0.250000 0.902720 O\n0.194952 0.578835 0.102552 O\n0.694952 0.078835 0.897447 O\n0.306931 0.528897 0.627462 O\n0.805048 0.421166 0.897447 O\n",
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{
"id": "jvasp-44564",
"created_at": "2022-09-04T14:37:27.119506Z",
"updated_at": "2022-09-04T14:37:27.119543Z",
"structure_string": "Li2 Tl2 P2 H2 O6\n1.0\n7.100756 2.542294 -0.005895\n-7.100756 2.542294 0.005895\n0.071691 0.000000 5.392327\nLi Tl P H O\n2 2 2 2 6\ndirect\n0.297685 0.802168 0.815892 Li\n0.802167 0.297685 0.184109 Li\n0.110528 0.928569 0.250610 Tl\n0.928569 0.110528 0.749390 Tl\n0.416475 0.699053 0.305835 P\n0.699053 0.416475 0.694166 P\n0.395943 0.503117 0.225016 H\n0.503117 0.395943 0.774984 H\n0.206888 0.640811 0.146097 O\n0.341933 0.643888 0.583391 O\n0.721228 0.990699 0.260131 O\n0.990699 0.721228 0.739868 O\n0.643888 0.341933 0.416610 O\n0.640811 0.206888 0.853904 O\n",
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{
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"structure_string": "Li2 H6 Pt1 O6\n1.0\n5.459764 -0.000000 0.000000\n-2.729881 4.728294 0.000000\n-0.000000 -0.000000 4.583847\nLi H Pt O\n2 6 1 6\ndirect\n0.666666 0.333333 -0.000000 Li\n0.333333 0.666666 -0.000000 Li\n0.307104 0.307104 0.433808 H\n0.692895 0.692895 0.566192 H\n0.692895 0.000000 0.433808 H\n0.307104 0.000000 0.566192 H\n-0.000000 0.692895 0.433808 H\n-0.000000 0.307104 0.566192 H\n0.000000 0.000000 0.000000 Pt\n0.324841 0.324841 0.221798 O\n0.675158 0.675158 0.778203 O\n0.675158 0.000000 0.221798 O\n0.324841 0.000000 0.778203 O\n-0.000000 0.675158 0.221798 O\n-0.000000 0.324841 0.778203 O\n",
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"structure_string": "Li2 Sb2 P2 H2 O10\n1.0\n5.252587 -0.022647 0.006497\n-0.799257 5.786888 0.004272\n-2.353156 -2.523825 7.056091\nLi Sb P H O\n2 2 2 2 10\ndirect\n0.735462 0.400447 0.834473 Li\n0.264538 0.599553 0.165527 Li\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.678779 0.375246 0.222759 P\n0.321220 0.624754 0.777241 P\n0.397427 0.046617 0.327096 H\n0.602573 0.953384 0.672904 H\n0.671704 0.636670 0.335504 O\n0.605827 0.727627 0.941622 O\n0.091794 0.617059 0.866028 O\n0.908205 0.382942 0.133972 O\n0.787857 0.070847 0.722859 O\n0.328296 0.363330 0.664496 O\n0.715646 0.207795 0.346251 O\n0.284354 0.792206 0.653749 O\n0.394173 0.272374 0.058378 O\n0.212143 0.929154 0.277141 O\n",
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{
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],
"chemical_system": "H-Li-O-P",
"density": 2.1230496666492473,
"density_atomic": 0.08755156819742106,
"volume": 890.9035167036287,
"volume_molar": 6.878392796369568,
"formula_full": "Li12 P12 H12 O42",
"formula_reduced": "Li2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.615270423076923,
"spacegroup": 166
},
{
"id": "jvasp-51671",
"created_at": "2022-09-04T14:38:11.532409Z",
"updated_at": "2022-09-04T14:38:11.532438Z",
"structure_string": "Li2 P2 H4 O4\n1.0\n4.483213 2.615727 -1.522775\n-4.483213 2.615727 1.522775\n-0.125759 0.000000 6.420804\nLi P H O\n2 2 4 4\ndirect\n0.250240 0.250240 0.000000 Li\n0.749761 0.749761 0.000000 Li\n0.187121 0.812880 0.718777 P\n0.812880 0.187121 0.281222 P\n0.933518 0.638448 0.573856 H\n0.361553 0.066483 0.573856 H\n0.066483 0.361553 0.426144 H\n0.638448 0.933518 0.426144 H\n0.086873 0.913128 0.859820 O\n0.913127 0.086874 0.140179 O\n0.356294 0.643707 0.833089 O\n0.643707 0.356294 0.166911 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
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],
"chemical_system": "H-Li-O-P",
"density": 1.5969210994130805,
"density_atomic": 0.08021930975026537,
"volume": 149.5899184044064,
"volume_molar": 7.5070962075687495,
"formula_full": "Li2 P2 H4 O4",
"formula_reduced": "LiP(HO)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.280347083333333,
"spacegroup": 12
},
{
"id": "jvasp-51350",
"created_at": "2022-09-04T14:37:07.301504Z",
"updated_at": "2022-09-04T14:37:07.301532Z",
"structure_string": "Li2 H2 O4\n1.0\n2.732310 3.737636 -1.369368\n-2.732310 3.737636 1.369368\n-0.006917 0.000000 3.306563\nLi H O\n2 2 4\ndirect\n0.312850 0.312851 0.499999 Li\n0.687150 0.687151 0.499999 Li\n0.809101 0.190900 0.279890 H\n0.190900 0.809101 0.720108 H\n0.709588 0.290413 0.446285 O\n0.290412 0.709589 0.553714 O\n0.172447 0.172447 -0.000000 O\n0.827554 0.827554 -0.000000 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "H-Li-O",
"density": 1.966496112224084,
"density_atomic": 0.11858008884506321,
"volume": 67.46495198239228,
"volume_molar": 5.078542965057591,
"formula_full": "Li2 H2 O4",
"formula_reduced": "LiHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.84564175,
"spacegroup": 12
}
]
}