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{
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{
"id": "mp-1198246",
"created_at": "2022-09-04T14:48:04.832103Z",
"structure_string": "K4 Mo12 H4 Cl28 O2\n1.0\n8.121656 10.454893 0.000000\n-8.121656 10.454893 0.000000\n0.000000 3.965529 8.796375\nK Mo H Cl O\n4 12 4 28 2\ndirect\n0.556772 0.444018 0.251805 K\n0.444018 0.556772 0.751805 K\n0.948939 0.048809 0.036643 K\n0.048809 0.948939 0.536643 K\n0.938438 0.696687 0.431042 Mo\n0.696687 0.938438 0.931042 Mo\n0.052462 0.322400 0.565125 Mo\n0.322400 0.052462 0.065125 Mo\n0.834811 0.483280 0.688002 Mo\n0.483280 0.834811 0.188002 Mo\n0.171220 0.531030 0.288151 Mo\n0.531030 0.171220 0.788151 Mo\n0.095745 0.525487 0.665722 Mo\n0.525487 0.095745 0.165722 Mo\n0.910414 0.492680 0.316098 Mo\n0.492680 0.910414 0.816098 Mo\n0.173156 0.755284 0.781367 H\n0.755284 0.173156 0.281367 H\n0.257944 0.832975 0.715753 H\n0.832975 0.257944 0.215753 H\n0.008354 0.684979 0.161610 Cl\n0.684979 0.008354 0.661610 Cl\n0.980875 0.366251 0.827006 Cl\n0.366251 0.980875 0.327006 Cl\n0.860259 0.654726 0.720464 Cl\n0.654726 0.860259 0.220464 Cl\n0.096477 0.362695 0.275312 Cl\n0.362695 0.096477 0.775312 Cl\n0.743199 0.585453 0.482484 Cl\n0.585453 0.743199 0.982484 Cl\n0.234893 0.348301 0.541604 Cl\n0.348301 0.234893 0.041604 Cl\n0.181008 0.661345 0.430265 Cl\n0.661345 0.181008 0.930265 Cl\n0.855599 0.312418 0.611326 Cl\n0.312418 0.855599 0.111326 Cl\n0.904187 0.895074 0.370519 Cl\n0.895074 0.904187 0.870519 Cl\n0.092762 0.126856 0.655983 Cl\n0.126856 0.092762 0.155983 Cl\n0.665981 0.463007 0.884207 Cl\n0.463007 0.665981 0.384207 Cl\n0.354648 0.533902 0.110748 Cl\n0.533902 0.354648 0.610748 Cl\n0.816661 0.446770 0.167952 Cl\n0.446770 0.816661 0.667952 Cl\n0.182026 0.554362 0.837255 Cl\n0.554362 0.182026 0.337255 Cl\n0.182113 0.830268 0.726557 O\n0.830268 0.182113 0.226557 O\n",
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"formula_full": "K4 Mo12 H4 Cl28 O2",
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"spacegroup": 9
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{
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"created_at": "2022-09-04T14:48:12.271266Z",
"structure_string": "Ba2 Sr2 Ce2 Hf2 O12\n1.0\n6.063665 -0.001390 -0.009869\n-0.002338 6.070832 -0.009323\n-0.014634 -0.013830 8.560227\nBa Sr Ce Hf O\n2 2 2 2 12\ndirect\n0.505110 0.520710 0.249835 Ba\n0.494890 0.479290 0.750165 Ba\n0.995442 0.029013 0.251647 Sr\n0.004558 0.970987 0.748353 Sr\n-0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.000000 0.000000 Hf\n-0.000000 0.500000 0.500000 Hf\n0.225951 0.206294 0.955582 O\n0.270758 0.712315 0.531670 O\n0.774049 0.793706 0.044418 O\n0.729242 0.287685 0.468330 O\n0.289175 0.728279 0.965689 O\n0.203263 0.222699 0.542197 O\n0.710825 0.271721 0.034311 O\n0.796737 0.777301 0.457803 O\n0.417268 0.995911 0.240213 O\n0.062102 0.466618 0.259502 O\n0.582732 0.004089 0.759787 O\n0.937898 0.533382 0.740498 O\n",
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"formula_full": "Ba2 Sr2 Ce2 Hf2 O12",
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},
{
"id": "mp-1233215",
"created_at": "2022-09-04T14:48:05.329956Z",
"structure_string": "Rb1 Mg1 Cu2 H3 S2 O10\n1.0\n-4.569596 -2.785425 2.513835\n5.054952 -3.603550 -2.785336\n4.145822 -3.239468 5.781221\nRb Mg Cu H S O\n1 1 2 3 2 10\ndirect\n0.484197 0.993278 0.496688 Rb\n0.238308 0.231779 0.013389 Mg\n0.966168 0.516510 0.031154 Cu\n0.511326 0.811784 0.981951 Cu\n0.757664 0.540717 0.747242 H\n0.211506 0.426201 0.260218 H\n0.696532 0.649717 0.881195 H\n0.074830 0.237031 0.703951 S\n0.914951 0.774963 0.306428 S\n0.764740 0.107646 0.766394 O\n0.196153 0.446772 0.766317 O\n0.225216 0.941215 0.209189 O\n0.792991 0.542121 0.278185 O\n0.692520 0.499622 0.885523 O\n0.242317 0.469801 0.122978 O\n0.148108 0.063833 0.813199 O\n0.819007 0.934233 0.205407 O\n0.171557 0.321185 0.500351 O\n0.857700 0.722987 0.509242 O\n",
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"formula_full": "Rb1 Mg1 Cu2 H3 S2 O10",
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{
"id": "mp-1234830",
"created_at": "2022-09-04T14:47:59.758396Z",
"structure_string": "Mg1 Zr2 H10 S6 O28\n1.0\n5.197532 -0.004654 -0.046014\n-0.689369 9.674596 -0.542189\n0.092070 -0.133386 12.699440\nMg Zr H S O\n1 2 10 6 28\ndirect\n0.758522 0.425510 0.152920 Mg\n0.772763 0.887460 0.812426 Zr\n0.245728 0.080096 0.185538 Zr\n0.426996 0.670375 0.547434 H\n0.549330 0.329485 0.481836 H\n0.290265 0.821664 0.532481 H\n0.683520 0.178269 0.481481 H\n0.456334 0.753188 0.435704 H\n0.525880 0.235920 0.590603 H\n0.104238 0.380317 0.831302 H\n0.918893 0.649275 0.078341 H\n0.321026 0.469476 0.887990 H\n0.608697 0.645940 0.070819 H\n0.755765 0.624208 0.698299 S\n0.248038 0.361443 0.297603 S\n0.281766 0.042219 0.676822 S\n0.737605 0.947123 0.335549 S\n0.271364 0.808704 0.990584 S\n0.745170 0.174564 0.016548 S\n0.896523 0.766351 0.676647 O\n0.121000 0.221237 0.317430 O\n0.567841 0.582003 0.613684 O\n0.383570 0.428588 0.388498 O\n0.931343 0.521231 0.717570 O\n0.057266 0.447609 0.252572 O\n0.615439 0.675219 0.799810 O\n0.439024 0.320800 0.209221 O\n0.258819 0.975263 0.570813 O\n0.763278 0.029977 0.434971 O\n0.033219 0.031822 0.736103 O\n0.984084 0.952110 0.273567 O\n0.376440 0.188016 0.677609 O\n0.646994 0.803102 0.344138 O\n0.468195 0.964718 0.740886 O\n0.545468 0.015264 0.265715 O\n0.085267 0.825827 0.903857 O\n0.938103 0.157483 0.104515 O\n0.816847 0.100424 0.918925 O\n0.188301 0.895932 0.084724 O\n0.261713 0.665374 0.020218 O\n0.738540 0.324620 0.010015 O\n0.534421 0.856859 0.957825 O\n0.490399 0.116571 0.053870 O\n0.227280 0.379284 0.889265 O\n0.755294 0.616896 0.111183 O\n0.334069 0.729717 0.495184 O\n0.639365 0.265322 0.524819 O\n",
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"formula_full": "Mg1 Zr2 H10 S6 O28",
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{
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"structure_string": "Cd4 Se4 O12\n1.0\n5.377569 0.000000 0.000000\n0.000000 6.424399 0.000000\n0.000000 0.000000 8.316446\nCd Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.483553 0.968162 0.750000 Se\n0.983553 0.531838 0.250000 Se\n0.016447 0.468162 0.750000 Se\n0.516447 0.031838 0.250000 Se\n0.632057 0.176264 0.412017 O\n0.132057 0.323736 0.587983 O\n0.867943 0.676264 0.087983 O\n0.367943 0.823736 0.912017 O\n0.367943 0.823736 0.587983 O\n0.867943 0.676264 0.412017 O\n0.132057 0.323736 0.912017 O\n0.632057 0.176264 0.087983 O\n0.201733 0.092337 0.250000 O\n0.701733 0.407663 0.750000 O\n0.298267 0.592337 0.250000 O\n0.798267 0.907663 0.750000 O\n",
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{
"id": "mp-1035394",
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"structure_string": "Na1 Li1 Mg14 O15\n1.0\n8.546299 0.000000 0.000000\n0.000000 8.587977 0.000000\n0.000000 0.000000 4.286062\nNa Li Mg O\n1 1 14 15\ndirect\n0.996098 0.500000 0.000000 Na\n0.977610 0.000000 0.000000 Li\n0.521144 0.000000 0.000000 Mg\n0.501973 0.500000 0.000000 Mg\n0.001839 0.246591 0.500000 Mg\n0.001839 0.753409 0.500000 Mg\n0.499295 0.249605 0.500000 Mg\n0.499295 0.750395 0.500000 Mg\n0.239660 0.000000 0.500000 Mg\n0.244612 0.500000 0.500000 Mg\n0.766363 0.000000 0.500000 Mg\n0.756160 0.500000 0.500000 Mg\n0.242365 0.272683 0.000000 Mg\n0.242365 0.727317 0.000000 Mg\n0.761304 0.249619 0.000000 Mg\n0.761304 0.750381 0.000000 Mg\n0.265757 0.500000 0.000000 O\n0.748045 0.000000 0.000000 O\n0.734328 0.500000 0.000000 O\n0.251309 0.241680 0.500000 O\n0.251309 0.758320 0.500000 O\n0.748808 0.247018 0.500000 O\n0.748808 0.752982 0.500000 O\n0.008859 0.000000 0.500000 O\n0.003398 0.500000 0.500000 O\n0.483595 0.000000 0.500000 O\n0.496754 0.500000 0.500000 O\n0.009894 0.232455 0.000000 O\n0.009894 0.767545 0.000000 O\n0.488008 0.237526 0.000000 O\n0.488008 0.762474 0.000000 O\n",
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{
"id": "mp-720802",
"created_at": "2022-09-04T14:48:05.480943Z",
"structure_string": "Na12 Hf2 H16 S10 O48\n1.0\n11.290021 0.000000 0.000000\n0.000000 8.631520 0.000000\n0.000000 1.631703 10.670120\nNa Hf H S O\n12 2 16 10 48\ndirect\n0.175026 0.053927 0.506494 Na\n0.675026 0.946073 0.493506 Na\n0.808222 0.531191 0.020643 Na\n0.308222 0.468809 0.979357 Na\n0.529193 0.589582 0.467349 Na\n0.029193 0.410418 0.532651 Na\n0.030355 0.207103 0.049301 Na\n0.530355 0.792897 0.950699 Na\n0.176603 0.692878 0.729179 Na\n0.676603 0.307122 0.270821 Na\n0.436639 0.977344 0.226175 Na\n0.936639 0.022656 0.773825 Na\n0.497941 0.222857 0.727017 Hf\n0.997941 0.777143 0.272983 Hf\n0.842709 0.534633 0.381709 H\n0.342709 0.465367 0.618291 H\n0.924733 0.452691 0.290752 H\n0.424733 0.547309 0.709248 H\n0.341044 0.024174 0.971056 H\n0.841044 0.975826 0.028944 H\n0.769332 0.121645 0.973089 H\n0.269332 0.878355 0.026911 H\n0.957315 0.487779 0.826964 H\n0.457315 0.512221 0.173036 H\n0.886934 0.336311 0.841114 H\n0.386934 0.663689 0.158886 H\n0.243220 0.267120 0.217683 H\n0.743220 0.732880 0.782317 H\n0.169246 0.418746 0.194830 H\n0.669246 0.581254 0.805170 H\n0.731670 0.301656 0.618981 S\n0.231670 0.698344 0.381019 S\n0.198176 0.248766 0.778037 S\n0.698176 0.751234 0.221963 S\n0.439885 0.224826 0.403305 S\n0.939885 0.775174 0.596695 S\n0.425182 0.846697 0.678899 S\n0.925182 0.153303 0.321101 S\n0.552953 0.261166 0.983781 S\n0.052953 0.738834 0.016219 S\n0.653268 0.388998 0.701250 O\n0.153268 0.611002 0.298750 O\n0.661883 0.149354 0.629870 O\n0.161883 0.850646 0.370130 O\n0.732888 0.388472 0.491043 O\n0.232888 0.611528 0.508957 O\n0.851801 0.272643 0.670122 O\n0.351801 0.727357 0.329878 O\n0.325046 0.183120 0.799100 O\n0.825046 0.816880 0.200900 O\n0.166484 0.245558 0.645817 O\n0.666484 0.754442 0.354183 O\n0.120724 0.146415 0.864256 O\n0.620724 0.853585 0.135744 O\n0.199905 0.411989 0.805593 O\n0.699905 0.588011 0.194407 O\n0.433315 0.218238 0.544910 O\n0.933315 0.781762 0.455090 O\n0.534707 0.118352 0.372258 O\n0.034707 0.881648 0.627742 O\n0.468732 0.388766 0.348355 O\n0.968732 0.611234 0.651645 O\n0.324036 0.172787 0.360529 O\n0.824036 0.827213 0.639471 O\n0.485084 0.969732 0.745744 O\n0.985084 0.030268 0.254256 O\n0.505631 0.808128 0.580427 O\n0.005631 0.191872 0.419573 O\n0.408688 0.704555 0.777288 O\n0.908688 0.295445 0.222712 O\n0.308980 0.902678 0.631563 O\n0.808980 0.097322 0.368437 O\n0.577200 0.127759 0.907319 O\n0.077200 0.872241 0.092681 O\n0.495491 0.379450 0.883802 O\n0.995491 0.620550 0.116198 O\n0.469157 0.213808 0.085390 O\n0.969157 0.786192 0.914610 O\n0.665463 0.316613 0.029525 O\n0.165463 0.683387 0.970475 O\n0.422849 0.461336 0.654692 O\n0.922849 0.538664 0.345308 O\n0.845947 0.070560 0.966513 O\n0.345947 0.929440 0.033487 O\n0.926840 0.405473 0.891843 O\n0.426840 0.594527 0.108157 O\n0.195306 0.331650 0.152745 O\n0.695306 0.668350 0.847255 O\n",
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}
]
}