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{
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{
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{
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"structure_string": "Li4 Nb4 Zn4 O16\n1.0\n6.171852 0.000000 0.000000\n0.000000 6.171852 0.000000\n0.000000 0.000000 8.505393\nLi Nb Zn O\n4 4 4 16\ndirect\n0.219424 0.000000 0.250000 Li\n0.000000 0.219424 0.000000 Li\n0.000000 0.780576 0.500000 Li\n0.780576 0.000000 0.750000 Li\n0.786832 0.500000 0.750000 Nb\n0.213168 0.500000 0.250000 Nb\n0.500000 0.786832 0.500000 Nb\n0.500000 0.213168 0.000000 Nb\n0.259100 0.259100 0.625000 Zn\n0.259100 0.740900 0.875000 Zn\n0.740900 0.740900 0.125000 Zn\n0.740900 0.259100 0.375000 Zn\n0.265839 0.517370 0.483540 O\n0.517370 0.734161 0.733540 O\n0.482630 0.265839 0.233540 O\n0.734161 0.517370 0.516460 O\n0.734161 0.482630 0.983540 O\n0.016640 0.736693 0.246751 O\n0.482630 0.734161 0.266460 O\n0.517370 0.265839 0.766460 O\n0.263307 0.016640 0.996751 O\n0.983360 0.263307 0.746751 O\n0.736693 0.016640 0.003249 O\n0.263307 0.983360 0.503249 O\n0.983360 0.736693 0.753249 O\n0.736693 0.983360 0.496751 O\n0.016640 0.263307 0.253249 O\n0.265839 0.482630 0.016460 O\n",
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"formula_full": "Li4 Nb4 Zn4 O16",
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{
"id": "mp-780479",
"created_at": "2022-09-04T14:46:59.761233Z",
"structure_string": "Li3 V6 P12 H6 O48\n1.0\n7.355441 0.000000 0.000000\n-1.236379 9.179287 0.000000\n-2.411711 -1.880248 12.174152\nLi V P H O\n3 6 12 6 48\ndirect\n0.153058 0.955418 0.826211 Li\n0.647845 0.609742 0.241043 Li\n0.350732 0.051752 0.423150 Li\n0.997879 0.499525 0.999781 V\n0.503331 0.666569 0.666509 V\n0.511045 0.002926 0.004242 V\n0.997675 0.833400 0.333427 V\n0.990570 0.175132 0.666179 V\n0.501521 0.332347 0.333289 V\n0.765850 0.976497 0.825016 P\n0.238391 0.688035 0.842767 P\n0.265987 0.939564 0.597083 P\n0.264972 0.274758 0.924086 P\n0.724332 0.390081 0.743184 P\n0.770474 0.637461 0.494295 P\n0.231645 0.356729 0.509003 P\n0.259879 0.606086 0.258002 P\n0.731543 0.721850 0.071122 P\n0.733253 0.057120 0.408891 P\n0.776446 0.310496 0.161869 P\n0.236140 0.025081 0.174643 P\n0.489195 0.485615 0.991459 H\n0.007662 0.670261 0.677209 H\n0.492711 0.151919 0.661490 H\n0.487232 0.817348 0.324805 H\n0.010025 0.339185 0.345424 H\n0.012547 0.007037 0.017463 H\n0.343638 0.843513 0.898479 O\n0.180708 0.597448 0.929622 O\n0.946433 0.955665 0.898292 O\n0.864628 0.661093 0.998370 O\n0.060034 0.716740 0.766046 O\n0.650084 0.824248 0.764122 O\n0.446214 0.382502 0.935030 O\n0.366483 0.610036 0.778156 O\n0.323013 0.790652 0.624042 O\n0.308752 0.123055 0.948357 O\n0.159550 0.921186 0.476592 O\n0.145459 0.249634 0.803581 O\n0.847832 0.418475 0.860966 O\n0.679071 0.540843 0.712134 O\n0.634495 0.715331 0.556936 O\n0.635445 0.056129 0.884585 O\n0.550145 0.279257 0.728643 O\n0.554582 0.948140 0.397572 O\n0.350634 0.505851 0.568052 O\n0.189408 0.946243 0.270523 O\n0.173170 0.268857 0.599096 O\n0.947871 0.623575 0.572836 O\n0.864376 0.994215 0.337278 O\n0.858487 0.332903 0.667449 O\n0.137530 0.671813 0.332668 O\n0.143981 0.997520 0.675191 O\n0.053648 0.381920 0.433428 O\n0.820914 0.064882 0.733126 O\n0.808317 0.720464 0.398646 O\n0.650620 0.486408 0.435997 O\n0.444690 0.716000 0.268677 O\n0.446109 0.050068 0.602449 O\n0.355370 0.268278 0.447290 O\n0.362970 0.944356 0.112648 O\n0.315930 0.461996 0.288408 O\n0.149148 0.584075 0.137320 O\n0.852094 0.084976 0.529969 O\n0.841380 0.743252 0.192770 O\n0.687143 0.869413 0.038961 O\n0.687063 0.204724 0.378250 O\n0.644230 0.395798 0.220016 O\n0.556704 0.610110 0.063721 O\n0.350382 0.178547 0.231836 O\n0.951432 0.289550 0.238125 O\n0.136259 0.335744 0.997898 O\n0.050625 0.044503 0.101099 O\n0.827833 0.397524 0.068790 O\n0.654013 0.160981 0.101233 O\n",
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"formula_full": "Li3 V6 P12 H6 O48",
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{
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"structure_string": "Ba2 Na4 O4\n1.0\n1.902498 -6.601426 0.000000\n1.902498 6.601426 0.000000\n0.000000 0.000000 7.873320\nBa Na O\n2 4 4\ndirect\n0.807109 0.192891 0.066500 Ba\n0.192891 0.807109 0.566500 Ba\n0.943640 0.056360 0.610062 Na\n0.575820 0.424180 0.856786 Na\n0.056360 0.943640 0.110062 Na\n0.424180 0.575820 0.356786 Na\n0.811612 0.188388 0.411398 O\n0.544450 0.455550 0.570145 O\n0.455550 0.544450 0.070145 O\n0.188388 0.811612 0.911398 O\n",
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{
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"structure_string": "Si8 O16\n1.0\n3.878788 0.000000 0.000000\n0.000000 8.748041 0.000000\n0.000000 0.000000 9.840364\nSi O\n8 16\ndirect\n0.345819 0.325970 0.607888 Si\n0.654181 0.674030 0.607888 Si\n0.345819 0.825970 0.892112 Si\n0.654181 0.174030 0.892112 Si\n0.345819 0.174030 0.107888 Si\n0.654181 0.825970 0.107888 Si\n0.345819 0.674030 0.392112 Si\n0.654181 0.325970 0.392112 Si\n0.000000 0.355675 0.500000 O\n0.500000 0.750000 0.250000 O\n0.500000 0.300207 0.000000 O\n0.500000 0.500000 0.364430 O\n0.000000 0.144325 0.000000 O\n0.500000 0.000000 0.135570 O\n0.500000 0.199793 0.500000 O\n0.500000 0.000000 0.864430 O\n0.500000 0.699793 0.000000 O\n0.000000 0.644325 0.500000 O\n0.500000 0.750000 0.750000 O\n0.500000 0.500000 0.635570 O\n0.500000 0.250000 0.250000 O\n0.500000 0.250000 0.750000 O\n0.000000 0.855675 0.000000 O\n0.500000 0.800207 0.500000 O\n",
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{
"id": "mp-1019535",
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"structure_string": "Ba1 Al2 Si2 O8\n1.0\n2.672505 -4.628914 0.000000\n2.672505 4.628914 0.000000\n0.000000 0.000000 7.963289\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.703067 Al\n0.333333 0.666667 0.296933 Al\n0.666667 0.333333 0.286472 Si\n0.333333 0.666667 0.713528 Si\n0.666667 0.333333 0.487414 O\n0.333333 0.666667 0.512586 O\n0.562372 0.988771 0.790429 O\n0.426400 0.437628 0.790429 O\n0.011229 0.573600 0.790429 O\n0.437628 0.011229 0.209571 O\n0.573600 0.562372 0.209571 O\n0.988771 0.426400 0.209571 O\n",
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{
"id": "mp-1198632",
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"structure_string": "Gd4 Zn34\n1.0\n0.000000 0.000000 -8.697675\n-4.541241 -7.864972 0.000000\n-4.541241 7.864972 0.000000\nGd Zn\n4 34\ndirect\n0.250000 0.000158 0.999842 Gd\n0.750000 0.999842 0.000158 Gd\n0.750000 0.666791 0.333209 Gd\n0.250000 0.333209 0.666791 Gd\n0.098143 0.666663 0.333337 Zn\n0.901857 0.333337 0.666663 Zn\n0.598143 0.333337 0.666663 Zn\n0.401857 0.666663 0.333337 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.250000 0.670770 0.034975 Zn\n0.250000 0.364710 0.330004 Zn\n0.250000 0.965329 0.635730 Zn\n0.250000 0.364270 0.034671 Zn\n0.250000 0.965025 0.329230 Zn\n0.250000 0.669996 0.635290 Zn\n0.750000 0.329230 0.965025 Zn\n0.750000 0.635290 0.669996 Zn\n0.750000 0.034671 0.364270 Zn\n0.750000 0.635730 0.965329 Zn\n0.750000 0.034975 0.670770 Zn\n0.750000 0.330004 0.364710 Zn\n0.982479 0.838048 0.675972 Zn\n0.982616 0.838119 0.161881 Zn\n0.982479 0.324028 0.161952 Zn\n0.017521 0.161952 0.324028 Zn\n0.017384 0.161881 0.838119 Zn\n0.017521 0.675972 0.838048 Zn\n0.482479 0.161952 0.324028 Zn\n0.482616 0.161881 0.838119 Zn\n0.482479 0.675972 0.838048 Zn\n0.517521 0.838048 0.675972 Zn\n0.517384 0.838119 0.161881 Zn\n0.517521 0.324028 0.161952 Zn\n",
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{
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{
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"formula_full": "Li14 Mn8 P16 O56",
"formula_reduced": "Li7Mn4(P2O7)4",
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},
{
"id": "mp-1236276",
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"structure_string": "Li1 Co5 Sb1 O8\n1.0\n5.508697 0.118522 3.057609\n1.944152 5.122720 3.057648\n0.000022 0.000057 6.115168\nLi Co Sb O\n1 5 1 8\ndirect\n0.144077 0.039288 0.658367 Li\n0.113611 0.139895 0.123257 Co\n0.492949 0.506835 0.506895 Co\n0.492950 0.506837 0.993315 Co\n0.564471 0.046916 0.444291 Co\n0.868427 0.809823 0.910858 Co\n0.994046 0.518158 0.493893 Sb\n0.244797 0.258021 0.280914 O\n0.224007 0.730694 0.272645 O\n0.244788 0.258034 0.716278 O\n0.728122 0.306121 0.232879 O\n0.250940 0.693481 0.777785 O\n0.778326 0.280015 0.720830 O\n0.736542 0.749814 0.288148 O\n0.736529 0.749819 0.725479 O\n",
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"formula_full": "Li1 Co5 Sb1 O8",
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{
"id": "mp-1184985",
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]
}