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"structure_string": "U4 H8 O16\n1.0\n5.705701 -0.000000 0.000000\n0.000000 6.104473 0.000000\n0.000000 0.000000 9.879542\nU H O\n4 8 16\ndirect\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.653513 0.342858 0.322079 H\n0.153513 0.157142 0.677921 H\n0.346487 0.842857 0.177921 H\n0.846487 0.657142 0.822079 H\n0.346487 0.657142 0.677921 H\n0.846487 0.842857 0.322079 H\n0.653513 0.157142 0.822079 H\n0.153513 0.342858 0.177921 H\n0.681519 0.303951 0.419408 O\n0.181519 0.196049 0.580592 O\n0.143499 0.458469 0.335021 O\n0.318481 0.696049 0.580592 O\n0.818481 0.803951 0.419408 O\n0.681519 0.196049 0.919408 O\n0.181519 0.303951 0.080592 O\n0.643499 0.458469 0.164979 O\n0.143499 0.041530 0.835021 O\n0.356501 0.958469 0.335021 O\n0.856501 0.541530 0.664979 O\n0.356501 0.541530 0.835021 O\n0.856501 0.958469 0.164979 O\n0.643499 0.041530 0.664979 O\n0.818481 0.696049 0.919408 O\n0.318481 0.803951 0.080592 O\n",
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{
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"structure_string": "Li4 V2 Fe2 P4 O16\n1.0\n4.687853 -0.009043 0.003367\n0.009010 10.191387 -0.001666\n0.003931 -0.000766 5.963939\nLi V Fe P O\n4 2 2 4 16\ndirect\n0.002107 0.002179 -0.001042 Li\n0.001831 0.002420 0.500957 Li\n0.499970 0.495899 0.001766 Li\n0.499855 0.495611 0.498018 Li\n0.514178 0.775239 0.250142 V\n0.482869 0.226455 0.750381 V\n0.979615 0.272376 0.249557 Fe\n0.028400 0.720709 0.750185 Fe\n0.078211 0.587619 0.250005 P\n0.916351 0.404755 0.749949 P\n0.584475 0.910349 0.750069 P\n0.418837 0.097465 0.250090 P\n0.778151 0.332297 0.957732 O\n0.778353 0.332054 0.542618 O\n0.721545 0.840573 0.958144 O\n0.720826 0.839566 0.542399 O\n0.278120 0.169308 0.456296 O\n0.278191 0.167696 0.042603 O\n0.789675 0.544845 0.749798 O\n0.295290 0.955914 0.251150 O\n0.751426 0.593131 0.249955 O\n0.243613 0.404129 0.750017 O\n0.257817 0.909839 0.750687 O\n0.746405 0.099856 0.249484 O\n0.220726 0.660901 0.045631 O\n0.712837 0.051657 0.748935 O\n0.199886 0.446174 0.250191 O\n0.220427 0.660984 0.454284 O\n",
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{
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"structure_string": "Li14 Ni2 O8 F4\n1.0\n5.161663 -0.026955 0.859308\n-3.056925 5.016728 0.912958\n-0.106765 0.420393 10.000787\nLi Ni O F\n14 2 8 4\ndirect\n0.130647 0.087074 0.206434 Li\n0.875392 0.883145 0.732614 Li\n0.979377 0.547482 0.285422 Li\n0.549158 0.044365 0.614960 Li\n0.486959 0.478970 0.925790 Li\n0.676848 0.701000 0.420002 Li\n0.709048 0.200840 0.085136 Li\n0.634840 0.147963 0.847423 Li\n0.212610 0.705122 0.982087 Li\n0.197865 0.192687 0.444365 Li\n0.596840 0.672763 0.141598 Li\n0.512574 0.017477 0.388543 Li\n0.112598 0.602053 0.752695 Li\n0.384826 0.381948 0.644536 Li\n0.064948 0.052170 0.925747 Ni\n0.021711 0.536074 0.512869 Ni\n0.965368 0.213574 0.614588 O\n0.660372 0.834856 0.933300 O\n0.633947 0.347979 0.466191 O\n0.058888 0.355986 0.925524 O\n0.232993 0.935323 0.799565 O\n0.351135 0.114512 0.023690 O\n0.103239 0.855932 0.386169 O\n0.390806 0.720503 0.559368 O\n0.702375 -0.062475 0.237781 F\n0.221467 0.397469 0.260914 F\n0.831531 0.520146 0.134862 F\n0.701637 0.515072 0.747837 F\n",
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{
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"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.782543 -0.000000 0.000000\n0.000000 5.863287 0.000000\n-0.000000 -0.000000 10.104084\nLi Fe Si O\n4 4 4 16\ndirect\n0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.989897 0.250000 0.226056 Fe\n0.510102 0.250000 0.726056 Fe\n0.489897 0.750000 0.273944 Fe\n0.010103 0.750000 0.773944 Fe\n0.059501 0.250000 0.906952 Si\n0.440499 0.250000 0.406953 Si\n0.559501 0.750000 0.593047 Si\n0.940498 0.750000 0.093047 Si\n0.216147 0.033589 0.829929 O\n0.216147 0.466411 0.829929 O\n0.283852 0.033589 0.329929 O\n0.283852 0.466411 0.329929 O\n0.278868 0.750000 0.100202 O\n0.810023 0.750000 0.942510 O\n0.189976 0.250000 0.057490 O\n0.778868 0.250000 0.399798 O\n0.783852 0.533590 0.170071 O\n0.783852 0.966411 0.170071 O\n0.716147 0.533590 0.670071 O\n0.716147 0.966411 0.670071 O\n0.221132 0.750000 0.600202 O\n0.310024 0.250000 0.557490 O\n0.721131 0.250000 0.899798 O\n0.689976 0.750000 0.442510 O\n",
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{
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"structure_string": "Ca6 Ge4 Au18\n1.0\n4.532002 -0.000000 0.000000\n0.000000 9.434677 0.000000\n-0.000000 -0.000000 13.680327\nCa Ge Au\n6 4 18\ndirect\n-0.000000 0.991021 0.184392 Ca\n-0.000000 0.008980 0.815608 Ca\n0.500000 0.508980 0.684392 Ca\n0.500000 0.491021 0.315608 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.500000 0.838298 0.314986 Ge\n0.500000 0.161703 0.685014 Ge\n-0.000000 0.338297 0.185014 Ge\n-0.000000 0.661703 0.814986 Ge\n-0.000000 0.733791 0.363912 Au\n0.500000 0.099761 0.339222 Au\n0.500000 0.900240 0.660778 Au\n-0.000000 0.400240 0.839222 Au\n-0.000000 0.599761 0.160778 Au\n0.500000 0.766210 0.863912 Au\n0.500000 0.233791 0.136088 Au\n-0.000000 0.266210 0.636088 Au\n0.500000 0.711430 0.497461 Au\n0.500000 0.224910 0.867631 Au\n-0.000000 0.724910 0.632369 Au\n-0.000000 0.275090 0.367631 Au\n0.500000 0.000000 -0.000000 Au\n0.500000 0.288570 0.502539 Au\n-0.000000 0.788570 0.997461 Au\n-0.000000 0.211430 0.002539 Au\n0.500000 0.775090 0.132369 Au\n-0.000000 0.500000 0.500000 Au\n",
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"structure_string": "Ba2 Ti2 Ge6 O18\n1.0\n6.867752 0.000000 0.000000\n-3.433877 5.947647 0.000000\n-0.000000 -0.000000 10.276863\nBa Ti Ge O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333333 -0.000000 Ti\n0.666666 0.333333 0.500000 Ti\n0.032434 0.444648 0.750000 Ge\n0.032434 0.587787 0.250000 Ge\n0.555352 0.587787 0.750000 Ge\n0.555352 0.967566 0.250000 Ge\n0.412213 0.444648 0.250000 Ge\n0.412213 0.967566 0.750000 Ge\n0.418825 0.109008 0.892919 O\n0.262022 0.873278 0.250000 O\n0.126722 0.737978 0.750000 O\n0.611255 0.737978 0.250000 O\n0.126722 0.388745 0.250000 O\n0.690183 0.581175 0.892919 O\n0.690183 0.581175 0.607081 O\n0.690184 0.109008 0.392919 O\n0.890992 0.309816 0.607081 O\n0.418825 0.109008 0.607081 O\n0.418825 0.309816 0.392919 O\n0.690184 0.109008 0.107081 O\n0.611255 0.873278 0.750000 O\n0.890992 0.581175 0.392919 O\n0.418825 0.309816 0.107081 O\n0.890992 0.581175 0.107081 O\n0.890992 0.309816 0.892919 O\n0.262022 0.388745 0.750000 O\n",
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"structure_string": "Li4 V4 Si4 O16\n1.0\n8.975454 -0.017782 -2.244015\n0.547678 5.231879 -1.621397\n0.023403 -0.092352 6.353952\nLi V Si O\n4 4 4 16\ndirect\n0.140800 0.179716 0.373687 Li\n0.217165 0.683761 0.430604 Li\n0.782834 0.316238 0.569396 Li\n0.859202 0.820280 0.626313 Li\n0.208896 0.703690 0.927379 V\n0.424938 0.203020 0.158963 V\n0.575060 0.796982 0.841034 V\n0.791103 0.296312 0.072624 V\n0.906874 0.839357 0.175082 Si\n0.537616 0.676158 0.296795 Si\n0.462383 0.323843 0.703205 Si\n0.093125 0.160642 0.824918 Si\n0.920783 0.252639 0.855361 O\n0.790463 0.885138 0.941371 O\n0.554607 0.871832 0.157887 O\n0.616782 0.373894 0.225075 O\n0.615215 0.792583 0.556135 O\n0.638396 0.398736 0.779167 O\n0.361603 0.601266 0.220833 O\n0.094423 0.855226 0.670352 O\n0.383217 0.626109 0.774923 O\n0.445391 0.128169 0.842113 O\n0.209537 0.114862 0.058630 O\n0.079218 0.747363 0.144640 O\n0.905576 0.144775 0.329648 O\n0.151502 0.358831 0.726368 O\n0.384783 0.207419 0.443864 O\n0.848498 0.641171 0.273634 O\n",
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"structure_string": "Na12 Co4 O12\n1.0\n4.728952 -0.000000 0.000002\n-0.000000 9.638098 0.000002\n-0.000000 -0.000000 8.407400\nNa Co O\n12 4 12\ndirect\n0.250000 0.605594 -0.000000 Na\n0.250000 0.105594 0.500000 Na\n0.749999 0.394406 -0.000000 Na\n0.749999 0.894406 0.500000 Na\n0.249999 0.381163 0.272798 Na\n0.250001 0.881165 0.772798 Na\n0.750002 0.618837 0.272798 Na\n0.749999 0.118836 0.772799 Na\n0.249999 0.381163 0.727201 Na\n0.250001 0.881162 0.227197 Na\n0.750000 0.618836 0.727203 Na\n0.750001 0.118837 0.227201 Na\n0.750000 0.318331 0.500000 Co\n0.250000 0.181668 -0.000000 Co\n0.750000 0.818334 -0.000000 Co\n0.250000 0.681667 0.500000 Co\n0.250002 0.366630 -0.000000 O\n0.250002 0.866630 0.500000 O\n0.750000 0.633371 -0.000000 O\n0.750001 0.133369 0.500000 O\n0.750000 0.371765 0.302747 O\n0.750000 0.871765 0.802751 O\n0.250000 0.628236 0.302753 O\n0.249999 0.128235 0.802748 O\n0.249999 0.628236 0.697247 O\n0.249999 0.128235 0.197252 O\n0.750000 0.371765 0.697253 O\n0.750000 0.871765 0.197248 O\n",
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"formula_anonymous": "AB3C4D6",
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},
{
"id": "jvasp-116824",
"created_at": "2022-09-04T14:38:45.914656Z",
"updated_at": "2022-09-04T14:38:45.914685Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.172449 -0.000290 -0.002530\n-0.000380 8.960217 0.006643\n-0.002614 0.000660 9.565736\nLi Mn P O\n4 4 4 16\ndirect\n0.499898 0.499943 0.239346 Li\n0.999883 -0.000057 0.239410 Li\n-0.000112 0.999895 0.739397 Li\n0.499878 0.499897 0.739346 Li\n0.499817 0.833366 0.122621 Mn\n0.499873 0.166679 0.622620 Mn\n0.999869 0.333363 0.122628 Mn\n-0.000170 0.666679 0.622626 Mn\n0.000050 0.666647 0.259223 P\n0.500117 0.166650 0.259219 P\n0.500018 0.833338 0.759222 P\n0.000083 0.333340 0.759227 P\n0.148674 0.527781 0.203165 O\n0.648676 0.027776 0.203127 O\n0.782614 0.838242 0.702999 O\n0.282603 0.338254 0.702898 O\n0.717007 0.661746 0.203454 O\n0.217003 0.161754 0.203557 O\n0.350962 0.972185 0.703097 O\n0.500785 0.833601 0.918475 O\n0.365760 0.689415 0.703611 O\n0.865753 0.189413 0.703679 O\n0.000784 0.666558 0.418478 O\n0.501105 0.166578 0.418473 O\n0.633802 0.310555 0.203020 O\n0.001107 0.333606 0.918480 O\n0.850964 0.472182 0.703148 O\n0.133806 0.810560 0.203093 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
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"density_atomic": 0.06315750672098026,
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"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
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{
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"updated_at": "2022-09-04T14:38:39.608843Z",
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"formula_full": "Ba4 Al4 F20",
"formula_reduced": "BaAlF5",
"formula_anonymous": "ABC5",
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]
}