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{
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"structure_string": "K8 Nd4 P8 S28\n1.0\n9.130337 0.000000 0.023656\n0.000000 6.873379 0.000000\n-2.496994 0.000000 19.884103\nK Nd P S\n8 4 8 28\ndirect\n0.257491 0.489957 0.009198 K\n0.352273 0.971202 0.189020 K\n0.147727 0.471202 0.310980 K\n0.242509 0.989957 0.490801 K\n0.757491 0.010043 0.509198 K\n0.852273 0.528798 0.689020 K\n0.647727 0.028798 0.810980 K\n0.742509 0.510043 0.990801 K\n0.810861 0.031514 0.150422 Nd\n0.689139 0.531514 0.349578 Nd\n0.310860 0.468486 0.650422 Nd\n0.189140 0.968486 0.849578 Nd\n0.083908 0.991170 0.044937 P\n0.599905 0.486647 0.169433 P\n0.900095 0.986647 0.330567 P\n0.416092 0.491170 0.455063 P\n0.583908 0.508830 0.544937 P\n0.099905 0.013353 0.669433 P\n0.400095 0.513353 0.830567 P\n0.916093 0.008830 0.955063 P\n0.276914 0.967076 0.006693 S\n0.026037 0.758125 0.098672 S\n0.055410 0.237675 0.099003 S\n0.544551 0.256701 0.106873 S\n0.596037 0.727011 0.109094 S\n0.804155 0.421615 0.221125 S\n0.454692 0.516715 0.239247 S\n0.045308 0.016715 0.260753 S\n0.695845 0.921615 0.278875 S\n0.903962 0.227011 0.390906 S\n0.955449 0.756701 0.393127 S\n0.444590 0.737675 0.400997 S\n0.473963 0.258125 0.401328 S\n0.223087 0.467076 0.493307 S\n0.776914 0.532924 0.506693 S\n0.526037 0.741875 0.598673 S\n0.555410 0.262325 0.599003 S\n0.044550 0.243300 0.606873 S\n0.096037 0.772989 0.609094 S\n0.304156 0.078385 0.721125 S\n0.954692 0.983285 0.739247 S\n0.545308 0.483285 0.760753 S\n0.195844 0.578385 0.778875 S\n0.403963 0.272989 0.890906 S\n0.455450 0.743300 0.893127 S\n0.944590 0.762325 0.900997 S\n0.973964 0.241875 0.901328 S\n0.723086 0.032924 0.993307 S\n",
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{
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"structure_string": "Na24 Al8 S24\n1.0\n13.725800 0.000000 -0.026556\n0.000000 12.069201 0.000000\n-1.153902 0.000000 7.535702\nAl Na S\n8 24 24\ndirect\n0.073429 0.493040 0.173364 Al\n0.566347 0.478703 0.179012 Al\n0.433653 0.978703 0.320987 Al\n0.926572 0.993040 0.326635 Al\n0.073429 0.006960 0.673364 Al\n0.566347 0.021297 0.679012 Al\n0.433653 0.521297 0.820989 Al\n0.926571 0.506960 0.826635 Al\n0.757889 0.326599 0.004315 Na\n0.012258 0.754076 0.004799 Na\n0.241601 0.307677 0.032781 Na\n0.193663 0.018215 0.081822 Na\n0.526494 0.739631 0.085569 Na\n0.635597 0.087498 0.109909 Na\n0.364402 0.587498 0.390091 Na\n0.473506 0.239630 0.414432 Na\n0.806338 0.518215 0.418179 Na\n0.758398 0.807677 0.467219 Na\n0.987742 0.254076 0.495200 Na\n0.242111 0.826599 0.495686 Na\n0.757890 0.173401 0.504315 Na\n0.012258 0.745923 0.504799 Na\n0.241601 0.192323 0.532781 Na\n0.193663 0.481785 0.581821 Na\n0.526493 0.760370 0.585569 Na\n0.635598 0.412502 0.609910 Na\n0.364402 0.912502 0.890090 Na\n0.473506 0.260370 0.914432 Na\n0.806338 0.981785 0.918179 Na\n0.758398 0.692323 0.967218 Na\n0.987742 0.245923 0.995200 Na\n0.242111 0.673401 0.995685 Na\n0.397163 0.466360 0.093075 S\n0.903408 0.502288 0.120834 S\n0.385711 0.110519 0.120961 S\n0.853870 0.140969 0.189854 S\n0.875763 0.831832 0.204145 S\n0.369041 0.815336 0.238190 S\n0.630959 0.315336 0.261810 S\n0.124237 0.331832 0.295854 S\n0.146130 0.640969 0.310145 S\n0.614289 0.610519 0.379039 S\n0.096593 0.002288 0.379166 S\n0.602837 0.966360 0.406925 S\n0.397163 0.033640 0.593075 S\n0.903408 0.997712 0.620834 S\n0.385711 0.389481 0.620960 S\n0.853870 0.359031 0.689854 S\n0.875762 0.668168 0.704145 S\n0.369041 0.684665 0.738190 S\n0.630960 0.184665 0.761810 S\n0.124237 0.168168 0.795854 S\n0.146129 0.859031 0.810145 S\n0.614289 0.889481 0.879039 S\n0.096593 0.497712 0.879166 S\n0.602837 0.533640 0.906925 S\n",
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{
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"created_at": "2022-09-04T15:18:00.348836Z",
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"structure_string": "B4 P4 I12 Br12\n1.0\n13.427106 0.000000 0.000000\n0.000000 11.818527 0.000000\n0.000000 0.000000 7.863169\nB Br I P\n4 12 12 4\ndirect\n0.894136 0.750000 0.247817 B\n0.394136 0.750000 0.252183 B\n0.605864 0.250000 0.747817 B\n0.105863 0.250000 0.752183 B\n0.762487 0.750000 0.129394 Br\n0.971862 0.607971 0.214216 Br\n0.971862 0.892029 0.214216 Br\n0.471862 0.607971 0.285783 Br\n0.471862 0.892029 0.285783 Br\n0.262486 0.750000 0.370606 Br\n0.737513 0.250000 0.629394 Br\n0.528138 0.107970 0.714216 Br\n0.528138 0.392029 0.714216 Br\n0.028139 0.107970 0.785782 Br\n0.028139 0.392029 0.785782 Br\n0.237514 0.250000 0.870606 Br\n0.738607 0.084493 0.081842 I\n0.738607 0.415507 0.081842 I\n0.492969 0.250000 0.180352 I\n0.992969 0.250000 0.319647 I\n0.238607 0.084493 0.418158 I\n0.238607 0.415507 0.418158 I\n0.761393 0.584493 0.581842 I\n0.761393 0.915507 0.581842 I\n0.007031 0.750000 0.680353 I\n0.507031 0.750000 0.819648 I\n0.261394 0.584493 0.918159 I\n0.261394 0.915507 0.918159 I\n0.640983 0.250000 0.001835 P\n0.140982 0.250000 0.498164 P\n0.859018 0.750000 0.501836 P\n0.359018 0.750000 0.998165 P\n",
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{
"id": "oqmd-12402",
"created_at": "2022-09-04T14:49:04.186607Z",
"updated_at": "2022-09-04T14:49:04.186616Z",
"structure_string": "Pr12 Fe2 I17\n1.0\n12.001527 -0.019365 -0.044522\n-0.686575 12.012639 0.041014\n-2.582764 -4.335700 8.649522\nFe I Pr\n2 17 12\ndirect\n0.785644 0.737247 0.102934 Fe\n0.214345 0.262700 0.896958 Fe\n0.999859 0.001951 0.001300 I\n0.891823 0.363765 0.054608 I\n0.679209 0.106293 0.154561 I\n0.587185 0.468949 0.222312 I\n0.461965 0.820481 0.246433 I\n0.368606 0.209259 0.328120 I\n0.249396 0.582357 0.364525 I\n0.163716 0.943231 0.409918 I\n0.044858 0.296891 0.452536 I\n0.955129 0.703100 0.547420 I\n0.836162 0.056781 0.590005 I\n0.750590 0.417781 0.635500 I\n0.631347 0.790772 0.671884 I\n0.537987 0.179546 0.753529 I\n0.412816 0.531182 0.777789 I\n0.320810 0.893768 0.845482 I\n0.108533 0.633953 0.944366 I\n0.416404 0.189157 0.011024 Pr\n0.325917 0.509639 0.058376 Pr\n0.151602 0.288695 0.149624 Pr\n0.988863 0.668221 0.221014 Pr\n0.894318 0.984046 0.261416 Pr\n0.717394 0.759081 0.352063 Pr\n0.282467 0.240831 0.647802 Pr\n0.105560 0.015994 0.738801 Pr\n0.010859 0.331352 0.778617 Pr\n0.848845 0.711934 0.850733 Pr\n0.674254 0.490214 0.941493 Pr\n0.583543 0.810828 0.988859 Pr\n",
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{
"id": "oqmd-18304",
"created_at": "2022-09-04T15:03:00.680484Z",
"updated_at": "2022-09-04T15:03:00.680493Z",
"structure_string": "Li26 Ga42 Cu12\n1.0\n6.777978 6.777978 6.777978\n6.777978 -6.777978 -6.777978\n-6.777978 6.777978 -6.777978\nCu Ga Li\n12 42 26\ndirect\n0.823825 0.318509 0.142334 Cu\n0.318509 0.494684 0.176175 Cu\n0.681491 0.857666 0.176175 Cu\n0.494684 0.176175 0.318509 Cu\n0.142334 0.823825 0.318509 Cu\n0.176175 0.318509 0.494684 Cu\n0.823825 0.681491 0.505316 Cu\n0.857666 0.176175 0.681491 Cu\n0.505316 0.823825 0.681491 Cu\n0.318509 0.142334 0.823825 Cu\n0.681491 0.505316 0.823825 Cu\n0.176175 0.681491 0.857666 Cu\n0.245139 0.594270 0.029282 Ga\n0.435012 0.784144 0.029282 Ga\n0.902415 0.159648 0.062063 Ga\n0.500000 0.592963 0.092963 Ga\n0.159648 0.257233 0.097585 Ga\n0.840352 0.937937 0.097585 Ga\n0.257233 0.097585 0.159648 Ga\n0.062063 0.902415 0.159648 Ga\n0.650867 0.245138 0.215856 Ga\n0.970717 0.564988 0.215856 Ga\n0.215856 0.650867 0.245138 Ga\n0.594270 0.029282 0.245139 Ga\n0.097585 0.159648 0.257233 Ga\n0.564988 0.594270 0.349131 Ga\n0.754862 0.784144 0.349131 Ga\n0.650867 0.435012 0.405729 Ga\n0.970717 0.754862 0.405729 Ga\n0.907037 0.500000 0.407037 Ga\n0.405729 0.650867 0.435012 Ga\n0.784144 0.029282 0.435012 Ga\n0.592963 0.092963 0.500000 Ga\n0.407037 0.907037 0.500000 Ga\n0.594270 0.349131 0.564988 Ga\n0.215856 0.970717 0.564988 Ga\n0.092963 0.500000 0.592963 Ga\n0.029282 0.245139 0.594270 Ga\n0.349131 0.564988 0.594270 Ga\n0.245138 0.215856 0.650867 Ga\n0.435012 0.405729 0.650867 Ga\n0.902415 0.840352 0.742767 Ga\n0.784144 0.349131 0.754862 Ga\n0.405729 0.970717 0.754862 Ga\n0.029282 0.435012 0.784144 Ga\n0.349131 0.754862 0.784144 Ga\n0.937937 0.097585 0.840352 Ga\n0.742767 0.902415 0.840352 Ga\n0.159648 0.062063 0.902415 Ga\n0.840352 0.742767 0.902415 Ga\n0.500000 0.407037 0.907037 Ga\n0.097585 0.840352 0.937937 Ga\n0.564988 0.215856 0.970717 Ga\n0.754862 0.405729 0.970717 Ga\n0.372967 0.000000 0.000000 Li\n0.627034 0.000000 0.000000 Li\n0.000000 0.372967 0.000000 Li\n0.000000 0.627034 0.000000 Li\n0.420727 0.305274 0.115453 Li\n0.810178 0.694726 0.115453 Li\n0.305274 0.884548 0.189821 Li\n0.705032 0.500000 0.205032 Li\n0.500000 0.794969 0.294968 Li\n0.884548 0.189821 0.305274 Li\n0.115453 0.420727 0.305274 Li\n0.000000 0.000000 0.372967 Li\n0.372967 0.372967 0.372967 Li\n0.305274 0.115453 0.420727 Li\n0.794969 0.294968 0.500000 Li\n0.205032 0.705032 0.500000 Li\n0.694726 0.884548 0.579274 Li\n0.000000 0.000000 0.627034 Li\n0.627034 0.627034 0.627034 Li\n0.115453 0.810178 0.694726 Li\n0.884548 0.579274 0.694726 Li\n0.500000 0.205032 0.705032 Li\n0.294968 0.500000 0.794969 Li\n0.694726 0.115453 0.810178 Li\n0.189821 0.305274 0.884548 Li\n0.579274 0.694726 0.884548 Li\n",
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"formula_full": "Li26 Ga42 Cu12",
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{
"id": "oqmd-1038164",
"created_at": "2022-09-04T15:30:54.875810Z",
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"structure_string": "Gd8 Ag12 Hg12 O48\n1.0\n6.777301 6.777301 6.777301\n-6.777301 6.777301 -6.777301\n-6.777301 -6.777301 6.777301\nAg Gd Hg O\n12 8 12 48\ndirect\n0.875000 0.750001 0.125000 Ag\n0.750001 0.375001 0.125000 Ag\n0.125000 0.375000 0.250000 Ag\n0.625000 0.875000 0.250000 Ag\n0.250000 0.125000 0.375000 Ag\n0.625000 0.250000 0.375000 Ag\n0.750001 0.875000 0.625000 Ag\n0.375000 0.750001 0.625000 Ag\n0.375001 0.125000 0.750001 Ag\n0.875000 0.625000 0.750001 Ag\n0.125000 0.250001 0.875000 Ag\n0.250000 0.625000 0.875000 Ag\n0.000000 0.000000 0.000000 Gd\n0.500000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Gd\n0.500001 0.500001 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Gd\n0.500001 0.000000 0.500001 Gd\n0.000000 0.500001 0.500001 Gd\n0.375000 0.250000 0.125000 Hg\n0.250001 0.875000 0.125000 Hg\n0.375000 0.625000 0.250000 Hg\n0.875000 0.125000 0.250001 Hg\n0.750001 0.625000 0.375000 Hg\n0.125000 0.750001 0.375001 Hg\n0.250000 0.375000 0.625000 Hg\n0.875000 0.250000 0.625000 Hg\n0.625000 0.375000 0.750001 Hg\n0.125000 0.875000 0.750001 Hg\n0.750001 0.125000 0.875000 Hg\n0.625000 0.750001 0.875000 Hg\n0.326762 0.378455 0.028861 O\n0.202099 0.650406 0.028861 O\n0.849594 0.878455 0.051693 O\n0.702100 0.173238 0.051694 O\n0.971138 0.173238 0.121544 O\n0.650406 0.948307 0.121545 O\n0.621544 0.448306 0.150406 O\n0.028862 0.702100 0.150406 O\n0.202099 0.051693 0.173238 O\n0.471139 0.121545 0.173238 O\n0.551693 0.673238 0.202099 O\n0.150406 0.528862 0.202100 O\n0.326762 0.448307 0.297901 O\n0.471139 0.849594 0.297901 O\n0.878456 0.528862 0.326762 O\n0.948306 0.797900 0.326762 O\n0.551694 0.378456 0.349594 O\n0.297900 0.971138 0.349594 O\n0.826762 0.028861 0.378455 O\n0.051693 0.349594 0.378455 O\n0.121545 0.150406 0.448307 O\n0.826762 0.297901 0.448307 O\n0.349594 0.797900 0.471138 O\n0.621545 0.673238 0.471139 O\n0.650406 0.202099 0.528861 O\n0.378456 0.326762 0.528862 O\n0.173238 0.702100 0.551694 O\n0.878456 0.849594 0.551694 O\n0.948306 0.650406 0.621544 O\n0.173238 0.971138 0.621544 O\n0.702099 0.028861 0.650406 O\n0.448307 0.621545 0.650406 O\n0.121545 0.471139 0.673238 O\n0.051693 0.202099 0.673238 O\n0.528862 0.150406 0.702100 O\n0.673238 0.551694 0.702100 O\n0.448306 0.326762 0.797900 O\n0.849594 0.471139 0.797901 O\n0.528862 0.878456 0.826762 O\n0.797900 0.948306 0.826762 O\n0.971139 0.297901 0.849594 O\n0.378455 0.551693 0.849594 O\n0.028861 0.826762 0.878455 O\n0.349594 0.051694 0.878456 O\n0.150406 0.121544 0.948306 O\n0.297901 0.826762 0.948307 O\n0.797900 0.349594 0.971138 O\n0.673238 0.621544 0.971138 O\n",
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{
"id": "oqmd-41769",
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