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{
"id": "oqmd-1103555",
"created_at": "2022-09-04T15:35:32.873305Z",
"updated_at": "2022-09-04T15:35:32.873340Z",
"structure_string": "Li6 Ni2 O7\n1.0\n-3.965247 -1.990992 1.930889\n3.978787 -3.932624 0.075885\n2.069104 1.969361 4.011648\nLi Ni O\n6 2 7\ndirect\n0.980719 0.981215 0.006790 Li\n0.969350 0.511681 0.013576 Li\n0.514531 0.372179 0.291891 Li\n0.985470 0.252822 0.458111 Li\n0.530652 0.113320 0.736421 Li\n0.519282 0.643786 0.743208 Li\n0.496150 0.877667 0.246230 Ni\n0.003851 0.747333 0.503771 Ni\n0.715855 0.170847 0.112255 O\n0.729206 0.691824 0.156271 O\n0.253969 0.041814 0.369988 O\n0.246030 0.583183 0.380013 O\n0.770793 0.933175 0.593726 O\n0.784148 0.454152 0.637741 O\n0.249999 0.812501 0.875003 O\n",
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{
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"structure_string": "Li6 Pu2 O7\n1.0\n-4.754157 -2.162170 2.281741\n4.613209 -4.095375 -0.036006\n2.369480 2.141981 4.533133\nLi O Pu\n6 7 2\ndirect\n0.983200 0.985898 0.000406 Li\n0.878001 0.488358 0.000572 Li\n0.472961 0.390373 0.346663 Li\n0.027040 0.234629 0.403337 Li\n0.622000 0.136642 0.749428 Li\n0.516799 0.639101 0.749594 Li\n0.792028 0.174536 0.092111 O\n0.718156 0.666514 0.146336 O\n0.247564 0.061790 0.337276 O\n0.252437 0.563212 0.412724 O\n0.781843 0.958486 0.603664 O\n0.707972 0.450464 0.657889 O\n0.249998 0.812501 0.875000 O\n0.503240 0.888137 0.230294 Pu\n0.996761 0.736864 0.519705 Pu\n",
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"elements": [
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"spacegroup": 2
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{
"id": "oqmd-1103584",
"created_at": "2022-09-04T15:35:32.924543Z",
"updated_at": "2022-09-04T15:35:32.924565Z",
"structure_string": "Li6 V2 O7\n1.0\n-4.145914 -2.025131 1.996865\n4.113373 -3.944270 0.038793\n2.129710 2.006921 4.090654\nLi O V\n6 7 2\ndirect\n0.978929 0.975291 0.000897 Li\n0.956978 0.508555 0.017566 Li\n0.504643 0.375356 0.295269 Li\n0.995358 0.249645 0.454731 Li\n0.543023 0.116444 0.732435 Li\n0.521071 0.649708 0.749104 Li\n0.719563 0.171400 0.116969 O\n0.730025 0.685524 0.148261 O\n0.246645 0.045102 0.373225 O\n0.253356 0.579899 0.376775 O\n0.769974 0.939477 0.601738 O\n0.780437 0.453599 0.633032 O\n0.250001 0.812500 0.875000 O\n0.501353 0.883987 0.234628 V\n0.998649 0.741013 0.515371 V\n",
"nsites": 15,
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"elements": [
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"volume": 134.38246448099125,
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"formula_full": "Li6 V2 O7",
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"spacegroup": 2
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{
"id": "oqmd-1103539",
"created_at": "2022-09-04T15:35:32.949704Z",
"updated_at": "2022-09-04T15:35:32.949731Z",
"structure_string": "Li6 Ge2 O7\n1.0\n-4.056267 -2.021834 1.954486\n4.072042 -4.011690 0.063863\n2.113287 2.019216 4.073674\nGe Li O\n2 6 7\ndirect\n0.495250 0.881773 0.230462 Ge\n0.004749 0.743227 0.519537 Ge\n0.973211 0.982167 0.002091 Li\n0.943436 0.498016 0.015831 Li\n0.514274 0.372390 0.295263 Li\n0.985727 0.252608 0.454737 Li\n0.556563 0.126983 0.734169 Li\n0.526786 0.642832 0.747908 Li\n0.714092 0.170900 0.115042 O\n0.726105 0.691035 0.152471 O\n0.246211 0.588232 0.374939 O\n0.253788 0.036766 0.375061 O\n0.773894 0.933967 0.597529 O\n0.785911 0.454100 0.634959 O\n0.249999 0.812499 0.874999 O\n",
"nsites": 15,
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"elements": [
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"chemical_system": "Ge-Li-O",
"density": 3.740050646206959,
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"volume": 132.7178088515448,
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"formula_full": "Li6 Ge2 O7",
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{
"id": "oqmd-1103531",
"created_at": "2022-09-04T15:35:33.244875Z",
"updated_at": "2022-09-04T15:35:33.244889Z",
"structure_string": "Cs2 Li6 O7\n1.0\n-5.945948 -2.082579 3.086184\n5.259703 -3.869722 -1.092562\n1.998644 2.382874 4.310888\nCs Li O\n2 6 7\ndirect\n0.444329 0.777883 0.243479 Cs\n0.055672 0.847118 0.506521 Cs\n0.911993 0.041612 0.027037 Li\n0.600425 0.361559 0.241341 Li\n0.899574 0.263442 0.508660 Li\n0.588007 0.583387 0.722962 Li\n0.584901 0.090075 0.811779 Li\n0.915098 0.534925 0.938221 Li\n0.761275 0.677258 0.076376 O\n0.816926 0.267649 0.142235 O\n0.246322 0.254787 0.258466 O\n0.253679 0.370212 0.491535 O\n0.683075 0.357352 0.607766 O\n0.738724 0.947741 0.673621 O\n0.250000 0.812498 0.875001 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 3.5172867182997005,
"density_atomic": 0.07574726134665283,
"volume": 198.0269614151909,
"volume_molar": 7.950308239449123,
"formula_full": "Cs2 Li6 O7",
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{
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"created_at": "2022-09-04T15:35:33.041099Z",
"updated_at": "2022-09-04T15:35:33.041125Z",
"structure_string": "Li6 Eu2 O7\n1.0\n-4.553668 -2.115497 2.428542\n4.316582 -4.136101 -0.354976\n2.004506 2.275044 4.468866\nEu Li O\n2 6 7\ndirect\n0.531440 0.913654 0.278243 Eu\n0.968560 0.711345 0.471758 Eu\n0.465504 0.366050 0.289770 Li\n0.034496 0.258951 0.460230 Li\n0.499104 0.669744 0.770958 Li\n0.541367 0.114417 0.812627 Li\n0.958633 0.510582 0.937373 Li\n0.000896 0.955255 0.979040 Li\n0.703814 0.645382 0.068602 O\n0.760378 0.292483 0.147034 O\n0.194240 0.059366 0.297105 O\n0.305761 0.565636 0.452894 O\n0.739623 0.332517 0.602967 O\n0.796186 0.979618 0.681397 O\n0.250000 0.812500 0.875001 O\n",
"nsites": 15,
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"density": 4.5555393501840715,
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"formula_full": "Li6 Eu2 O7",
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{
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"created_at": "2022-09-04T15:35:33.190703Z",
"updated_at": "2022-09-04T15:35:33.190731Z",
"structure_string": "Li6 Ce2 O7\n1.0\n-4.917067 -2.208028 2.287843\n4.754108 -4.046650 0.072008\n2.558257 2.113535 4.685282\nCe Li O\n2 6 7\ndirect\n0.511386 0.905967 0.233067 Ce\n0.988572 0.719009 0.516984 Ce\n0.454758 0.394984 0.338731 Li\n0.045297 0.230122 0.411330 Li\n0.645911 0.128921 0.753565 Li\n0.489660 0.622838 0.786616 Li\n0.010330 0.002124 0.963283 Li\n0.853845 0.495822 0.996492 Li\n0.850442 0.195450 0.077462 O\n0.687070 0.639028 0.142128 O\n0.225949 0.071668 0.291362 O\n0.274021 0.553449 0.458549 O\n0.812913 0.985968 0.607868 O\n0.649708 0.429468 0.672627 O\n0.250138 0.812684 0.874932 O\n",
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{
"id": "oqmd-1103586",
"created_at": "2022-09-04T15:35:33.560571Z",
"updated_at": "2022-09-04T15:35:33.560589Z",
"structure_string": "Li6 Y2 O7\n1.0\n-4.687492 -2.103322 2.184254\n4.660824 -4.004536 0.179453\n2.480138 1.951131 4.493969\nLi O Y\n6 7 2\ndirect\n0.924188 0.519628 0.024255 Li\n0.467151 0.397657 0.338085 Li\n0.032893 0.227453 0.411940 Li\n0.575626 0.105229 0.725620 Li\n0.510254 0.640436 0.778558 Li\n0.989696 0.984582 0.971428 Li\n0.819617 0.191050 0.057222 O\n0.719469 0.665852 0.150672 O\n0.254544 0.068605 0.329121 O\n0.245789 0.556500 0.421196 O\n0.780496 0.959088 0.599245 O\n0.680512 0.433872 0.692608 O\n0.249807 0.812625 0.875042 O\n0.504302 0.893647 0.229314 Y\n0.995657 0.731274 0.520694 Y\n",
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"volume": 170.67472334104568,
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"formula_full": "Li6 Y2 O7",
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{
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"created_at": "2022-09-04T15:35:34.017693Z",
"updated_at": "2022-09-04T15:35:34.017718Z",
"structure_string": "Li6 Ti2 O7\n1.0\n-4.113722 -2.092776 1.978636\n4.083737 -4.064815 0.061421\n2.135263 2.064530 4.086242\nLi O Ti\n6 7 2\ndirect\n0.972366 0.976215 0.004330 Li\n0.949075 0.499257 0.020454 Li\n0.505509 0.379567 0.295408 Li\n0.994489 0.245432 0.454592 Li\n0.550925 0.125742 0.729547 Li\n0.527632 0.648784 0.745668 Li\n0.723493 0.174707 0.112534 O\n0.731659 0.687471 0.149981 O\n0.255968 0.049798 0.371423 O\n0.244034 0.575203 0.378577 O\n0.768340 0.937529 0.600018 O\n0.776510 0.450293 0.637466 O\n0.250001 0.812500 0.875001 O\n0.499438 0.893905 0.231318 Ti\n0.000562 0.731094 0.518683 Ti\n",
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{
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"created_at": "2022-09-04T15:35:33.226057Z",
"updated_at": "2022-09-04T15:35:33.226084Z",
"structure_string": "Li6 Nd2 O7\n1.0\n-4.817928 -2.142056 2.236026\n4.726706 -4.035930 0.099725\n2.533409 2.065455 4.647054\nLi Nd O\n6 2 7\ndirect\n0.458010 0.395955 0.331690 Li\n0.041991 0.229068 0.418291 Li\n0.627771 0.122563 0.751305 Li\n0.500678 0.637411 0.781318 Li\n0.999205 0.987485 0.968726 Li\n0.872392 0.502565 0.998685 Li\n0.509944 0.901870 0.231431 Nd\n0.990066 0.723147 0.518563 Nd\n0.847750 0.194157 0.078453 O\n0.700536 0.650573 0.141361 O\n0.229296 0.070650 0.296769 O\n0.270689 0.554327 0.453210 O\n0.799481 0.974429 0.608640 O\n0.652214 0.430889 0.671536 O\n0.249977 0.812408 0.875021 O\n",
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{
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"created_at": "2022-09-04T15:35:33.244411Z",
"updated_at": "2022-09-04T15:35:33.244438Z",
"structure_string": "Li6 Np2 O7\n1.0\n-4.780854 -2.176008 2.312002\n4.622530 -4.102632 -0.048409\n2.371657 2.155505 4.572199\nLi Np O\n6 2 7\ndirect\n0.987319 0.987720 0.003209 Li\n0.470825 0.389892 0.350861 Li\n0.029175 0.235108 0.399138 Li\n0.512682 0.637280 0.746791 Li\n0.631681 0.139249 0.750856 Li\n0.868320 0.485752 0.999145 Li\n0.504162 0.889574 0.228277 Np\n0.995838 0.735426 0.521723 Np\n0.797670 0.175559 0.090467 O\n0.717155 0.665607 0.147554 O\n0.245879 0.062110 0.333661 O\n0.254120 0.562891 0.416339 O\n0.782845 0.959393 0.602446 O\n0.702331 0.449441 0.659533 O\n0.250000 0.812499 0.875000 O\n",
"nsites": 15,
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],
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"density": 5.759635966487018,
"density_atomic": 0.08289442767004199,
"volume": 180.95305585204002,
"volume_molar": 7.2648318219541785,
"formula_full": "Li6 Np2 O7",
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"formula_anonymous": "A2B6C7",
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"spacegroup": 2
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{
"id": "oqmd-1103573",
"created_at": "2022-09-04T15:35:33.558722Z",
"updated_at": "2022-09-04T15:35:33.558747Z",
"structure_string": "Li6 Sn2 O7\n1.0\n-4.306745 -2.165356 2.105160\n4.241078 -4.180455 0.017656\n2.188806 2.141260 4.257663\nLi O Sn\n6 7 2\ndirect\n0.966960 0.984427 0.003777 Li\n0.928936 0.487834 0.009169 Li\n0.515379 0.372410 0.301860 Li\n0.984620 0.252589 0.448137 Li\n0.571064 0.137166 0.740831 Li\n0.533041 0.640572 0.746222 Li\n0.730758 0.181805 0.113353 O\n0.734262 0.685145 0.141663 O\n0.248421 0.051594 0.374213 O\n0.251581 0.573406 0.375788 O\n0.765738 0.939855 0.608337 O\n0.769241 0.443195 0.636647 O\n0.250000 0.812501 0.875000 O\n0.495018 0.882526 0.233139 Sn\n0.004986 0.742474 0.516862 Sn\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Li-O-Sn",
"density": 4.210834383356118,
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"volume": 154.21489833978043,
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"formula_full": "Li6 Sn2 O7",
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}
]
}