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{
"id": "mp-766427",
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"structure_string": "K4 Na2 Zn4 H10 C8 O28\n1.0\n11.153802 0.000000 0.000000\n0.000000 5.218737 0.000000\n0.000000 4.663186 10.660297\nK Na Zn H C O\n4 2 4 10 8 28\ndirect\n0.834706 0.039393 0.924117 K\n0.334706 0.960607 0.575883 K\n0.665294 0.039393 0.424117 K\n0.165294 0.960607 0.075883 K\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.603234 0.674249 0.794735 Zn\n0.103234 0.325751 0.705265 Zn\n0.896766 0.674249 0.294735 Zn\n0.396766 0.325751 0.205265 Zn\n0.000000 0.500000 0.000000 H\n0.308586 0.058818 0.815610 H\n0.331358 0.383980 0.768312 H\n0.831358 0.616020 0.731688 H\n0.808586 0.941182 0.684390 H\n0.500000 0.500000 0.500000 H\n0.191414 0.058818 0.315610 H\n0.168642 0.383980 0.268312 H\n0.668642 0.616020 0.231688 H\n0.691414 0.941182 0.184390 H\n0.372487 0.572477 0.934321 C\n0.075118 0.710056 0.819991 C\n0.575118 0.289944 0.680009 C\n0.872487 0.427523 0.565679 C\n0.127513 0.572477 0.434321 C\n0.424882 0.710056 0.319991 C\n0.924882 0.289944 0.180009 C\n0.627513 0.427523 0.065679 C\n0.620054 0.668938 0.969348 O\n0.332699 0.789827 0.947928 O\n0.046127 0.470700 0.911263 O\n0.062046 0.939396 0.836807 O\n0.407940 0.586559 0.824733 O\n0.615335 0.292593 0.783557 O\n0.789933 0.756397 0.756823 O\n0.289933 0.243603 0.743177 O\n0.115335 0.707407 0.716443 O\n0.907940 0.413441 0.675267 O\n0.562046 0.060604 0.663193 O\n0.546127 0.529300 0.588737 O\n0.832699 0.210173 0.552072 O\n0.120054 0.331062 0.530652 O\n0.879946 0.668938 0.469348 O\n0.167301 0.789827 0.447928 O\n0.453873 0.470700 0.411263 O\n0.437954 0.939396 0.336807 O\n0.092060 0.586559 0.324733 O\n0.884665 0.292593 0.283557 O\n0.710067 0.756397 0.256823 O\n0.210067 0.243603 0.243177 O\n0.384665 0.707407 0.216443 O\n0.592060 0.413441 0.175267 O\n0.937954 0.060604 0.163193 O\n0.953873 0.529300 0.088737 O\n0.667301 0.210173 0.052072 O\n0.379946 0.331062 0.030652 O\n",
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"formula_full": "K4 Na2 Zn4 H10 C8 O28",
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"spacegroup": 14
},
{
"id": "mp-1212364",
"created_at": "2022-09-04T14:41:57.917351Z",
"structure_string": "K4 Na4 Ti4 Si12 H8 O40\n1.0\n11.480988 0.000000 0.000000\n0.000000 6.465581 0.000000\n0.000000 3.269895 12.477597\nK Na Ti Si H O\n4 4 4 12 8 40\ndirect\n0.382280 0.683538 0.110264 K\n0.617720 0.316462 0.889736 K\n0.882280 0.316462 0.389736 K\n0.117720 0.683538 0.610264 K\n0.460450 0.786601 0.403084 Na\n0.539550 0.213399 0.596916 Na\n0.960450 0.213399 0.096916 Na\n0.039550 0.786601 0.903084 Na\n0.727551 0.885448 0.216001 Ti\n0.272449 0.114552 0.783999 Ti\n0.227551 0.114552 0.283999 Ti\n0.772449 0.885448 0.716001 Ti\n0.763484 0.800034 0.477400 Si\n0.236516 0.199966 0.522600 Si\n0.263484 0.199966 0.022600 Si\n0.736516 0.800034 0.977400 Si\n0.981557 0.847399 0.340871 Si\n0.018443 0.152601 0.659129 Si\n0.481557 0.152601 0.159129 Si\n0.518443 0.847399 0.840871 Si\n0.699339 0.417511 0.152281 Si\n0.300661 0.582489 0.847719 Si\n0.199339 0.582489 0.347719 Si\n0.800661 0.417511 0.652281 Si\n0.587928 0.446333 0.350948 H\n0.412072 0.553667 0.649052 H\n0.087928 0.553667 0.149052 H\n0.912072 0.446333 0.850948 H\n0.968565 0.672163 0.148883 H\n0.031435 0.327837 0.851117 H\n0.468565 0.327837 0.351117 H\n0.531435 0.672163 0.648883 H\n0.702876 0.574235 0.233222 O\n0.297124 0.425765 0.766778 O\n0.202876 0.425765 0.266778 O\n0.797124 0.574235 0.733222 O\n0.688120 0.856722 0.367990 O\n0.311880 0.143278 0.632010 O\n0.188120 0.143278 0.132010 O\n0.811880 0.856722 0.867990 O\n0.751405 0.540160 0.032420 O\n0.248595 0.459840 0.967580 O\n0.251405 0.459840 0.467580 O\n0.748595 0.540160 0.532420 O\n0.769274 0.934898 0.063253 O\n0.230726 0.065102 0.936747 O\n0.269274 0.065102 0.436747 O\n0.730726 0.934898 0.563253 O\n0.903934 0.849951 0.448029 O\n0.096066 0.150049 0.551971 O\n0.403934 0.150049 0.051971 O\n0.596066 0.849951 0.948029 O\n0.517173 0.401486 0.394227 O\n0.482827 0.598514 0.605773 O\n0.017173 0.598514 0.105773 O\n0.982827 0.401486 0.894227 O\n0.561773 0.370108 0.125849 O\n0.438227 0.629892 0.874151 O\n0.061773 0.629892 0.374151 O\n0.938227 0.370108 0.625849 O\n0.269043 0.804183 0.300943 O\n0.730957 0.195817 0.699057 O\n0.769043 0.195817 0.199057 O\n0.230957 0.804183 0.800943 O\n0.562326 0.940786 0.187743 O\n0.437674 0.059214 0.812257 O\n0.062326 0.059214 0.312257 O\n0.937674 0.940786 0.687743 O\n0.895654 0.823799 0.244805 O\n0.104346 0.176201 0.755195 O\n0.395654 0.176201 0.255195 O\n0.604346 0.823799 0.744805 O\n",
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"formula_full": "K4 Na4 Ti4 Si12 H8 O40",
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"updated_at": "2021-11-28T01:35:29.294000Z",
"spacegroup": 14
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{
"id": "mp-1181798",
"created_at": "2022-09-04T14:39:06.326677Z",
"structure_string": "K4 Na4 Ti4 H8 O12 F16\n1.0\n11.071314 0.427966 0.000000\n-2.371897 10.087969 0.000000\n0.000000 0.000000 6.419980\nK Na Ti H O F\n4 4 4 8 12 16\ndirect\n0.365692 0.347786 0.664756 K\n0.634308 0.152214 0.164756 K\n0.634308 0.652214 0.335244 K\n0.365692 0.847786 0.835244 K\n0.099689 0.720368 0.433014 Na\n0.900311 0.779632 0.933014 Na\n0.900311 0.279632 0.566986 Na\n0.099689 0.220368 0.066986 Na\n0.151750 0.519844 0.940075 Ti\n0.848250 0.980156 0.440075 Ti\n0.848250 0.480156 0.059925 Ti\n0.151750 0.019844 0.559925 Ti\n0.356245 0.948184 0.361756 H\n0.643755 0.551816 0.861756 H\n0.643755 0.051816 0.638244 H\n0.356245 0.448184 0.138244 H\n0.005167 0.492500 0.444092 H\n0.994833 0.007500 0.944092 H\n0.994833 0.507500 0.555908 H\n0.005167 0.992500 0.055908 H\n0.446114 0.925688 0.255405 O\n0.553886 0.574312 0.755405 O\n0.553886 0.074312 0.744595 O\n0.446114 0.425688 0.244595 O\n0.274400 0.452006 0.027494 O\n0.725600 0.047994 0.527494 O\n0.725600 0.547994 0.972506 O\n0.274400 0.952006 0.472506 O\n0.479037 0.828033 0.365564 O\n0.520963 0.671967 0.865564 O\n0.520963 0.171967 0.634436 O\n0.479037 0.328033 0.134436 O\n0.026820 0.423567 0.138579 F\n0.973180 0.076433 0.638579 F\n0.973180 0.576433 0.861421 F\n0.026820 0.923567 0.361421 F\n0.214085 0.620382 0.705135 F\n0.785915 0.879618 0.205135 F\n0.785915 0.379618 0.294865 F\n0.214085 0.120382 0.794865 F\n0.176171 0.670341 0.115196 F\n0.823829 0.829659 0.615196 F\n0.823829 0.329659 0.884804 F\n0.176171 0.170341 0.384804 F\n0.092280 0.368754 0.766380 F\n0.907720 0.131246 0.266380 F\n0.907720 0.631246 0.233620 F\n0.092280 0.868754 0.733620 F\n",
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"formula_full": "K4 Na4 Ti4 H8 O12 F16",
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{
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"created_at": "2022-09-04T14:42:03.422031Z",
"structure_string": "K4 Na4 Ti4 H8 O12 F16\n1.0\n5.868717 0.000000 0.000000\n0.000000 10.512185 0.000000\n0.000000 3.068527 10.396308\nK Na Ti H O F\n4 4 4 8 12 16\ndirect\n0.960655 0.605077 0.333416 K\n0.039345 0.394923 0.666584 K\n0.460655 0.894923 0.666584 K\n0.539345 0.105077 0.333416 K\n0.486724 0.786442 0.066666 Na\n0.513276 0.213558 0.933334 Na\n0.986724 0.713558 0.933334 Na\n0.013276 0.286442 0.066666 Na\n0.945256 0.960681 0.161381 Ti\n0.054744 0.039319 0.838619 Ti\n0.445256 0.539319 0.838619 Ti\n0.554744 0.460681 0.161381 Ti\n0.951871 0.785756 0.494813 H\n0.048129 0.214244 0.505187 H\n0.451871 0.714244 0.505187 H\n0.548129 0.285756 0.494813 H\n0.991748 0.694589 0.633623 H\n0.008252 0.305411 0.366377 H\n0.491748 0.805411 0.366377 H\n0.508252 0.194589 0.633623 H\n0.940745 0.959557 0.336132 O\n0.059255 0.040443 0.663868 O\n0.440745 0.540443 0.663868 O\n0.559255 0.459557 0.336132 O\n0.918084 0.696917 0.551670 O\n0.081916 0.303083 0.448330 O\n0.418084 0.803083 0.448330 O\n0.581916 0.196917 0.551670 O\n0.883986 0.953417 0.738352 O\n0.116014 0.046583 0.261648 O\n0.383986 0.546583 0.261648 O\n0.616014 0.453417 0.738352 O\n0.687447 0.838046 0.221431 F\n0.312553 0.161954 0.778569 F\n0.187447 0.661954 0.778569 F\n0.812553 0.338046 0.221431 F\n0.769931 0.605902 0.105748 F\n0.230069 0.394098 0.894252 F\n0.269931 0.894098 0.894252 F\n0.730069 0.105902 0.105748 F\n0.142896 0.816054 0.168999 F\n0.857104 0.183946 0.831001 F\n0.642896 0.683946 0.831001 F\n0.357104 0.316054 0.168999 F\n0.346344 0.577178 0.017928 F\n0.653656 0.422822 0.982072 F\n0.846344 0.922822 0.982072 F\n0.153656 0.077178 0.017928 F\n",
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{
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"structure_string": "K6 Na6 Te2 P12 H12 O48\n1.0\n11.466415 -5.500504 0.000000\n11.466415 5.500504 0.000000\n8.827793 0.000000 9.154469\nK Na Te P H O\n6 6 2 12 12 48\ndirect\n0.250000 0.875890 0.624110 K\n0.624110 0.250000 0.875890 K\n0.875890 0.624110 0.250000 K\n0.124110 0.375890 0.750000 K\n0.750000 0.124110 0.375890 K\n0.375890 0.750000 0.124110 K\n0.053332 0.250000 0.446668 Na\n0.446668 0.053332 0.250000 Na\n0.250000 0.446668 0.053332 Na\n0.946668 0.750000 0.553332 Na\n0.553332 0.946668 0.750000 Na\n0.750000 0.553332 0.946668 Na\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.339515 0.187629 0.493209 P\n0.493209 0.339515 0.187629 P\n0.187629 0.493209 0.339515 P\n0.993209 0.687629 0.839515 P\n0.839515 0.993209 0.687629 P\n0.687629 0.839515 0.993209 P\n0.660485 0.812371 0.506791 P\n0.506791 0.660485 0.812371 P\n0.812371 0.506791 0.660485 P\n0.006791 0.312371 0.160485 P\n0.160485 0.006791 0.312371 P\n0.312371 0.160485 0.006791 P\n0.302761 0.709328 0.405142 H\n0.405142 0.302761 0.709328 H\n0.709328 0.405142 0.302761 H\n0.905142 0.209328 0.802761 H\n0.802761 0.905142 0.209328 H\n0.209328 0.802761 0.905142 H\n0.697239 0.290672 0.594858 H\n0.594858 0.697239 0.290672 H\n0.290672 0.594858 0.697239 H\n0.094858 0.790672 0.197239 H\n0.197239 0.094858 0.790672 H\n0.790672 0.197239 0.094858 H\n0.372008 0.394588 0.630288 O\n0.630288 0.372008 0.394588 O\n0.394588 0.630288 0.372008 O\n0.130288 0.894588 0.872008 O\n0.872008 0.130288 0.894588 O\n0.894588 0.872008 0.130288 O\n0.627992 0.605412 0.369712 O\n0.369712 0.627992 0.605412 O\n0.605412 0.369712 0.627992 O\n0.869712 0.105412 0.127992 O\n0.127992 0.869712 0.105412 O\n0.105412 0.127992 0.869712 O\n0.363304 0.108217 0.630844 O\n0.630844 0.363304 0.108217 O\n0.108217 0.630844 0.363304 O\n0.130844 0.608217 0.863304 O\n0.863304 0.130844 0.608217 O\n0.608217 0.863304 0.130844 O\n0.636696 0.891783 0.369156 O\n0.369156 0.636696 0.891783 O\n0.891783 0.369156 0.636696 O\n0.869156 0.391783 0.136696 O\n0.136696 0.869156 0.391783 O\n0.391783 0.136696 0.869156 O\n0.292304 0.127176 0.465403 O\n0.465403 0.292304 0.127176 O\n0.127176 0.465403 0.292304 O\n0.965403 0.627176 0.792304 O\n0.792304 0.965403 0.627176 O\n0.627176 0.792304 0.965403 O\n0.707696 0.872824 0.534597 O\n0.534597 0.707696 0.872824 O\n0.872824 0.534597 0.707696 O\n0.034597 0.372824 0.207696 O\n0.207696 0.034597 0.372824 O\n0.372824 0.207696 0.034597 O\n0.220624 0.354580 0.485106 O\n0.485106 0.220624 0.354580 O\n0.354580 0.485106 0.220624 O\n0.985106 0.854580 0.720624 O\n0.720624 0.985106 0.854580 O\n0.854580 0.720624 0.985106 O\n0.779376 0.645420 0.514894 O\n0.514894 0.779376 0.645420 O\n0.645420 0.514894 0.779376 O\n0.014894 0.145420 0.279376 O\n0.279376 0.014894 0.145420 O\n0.145420 0.279376 0.014894 O\n",
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{
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"formula_full": "K6 Na2 Np8 H8 S8 O52",
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"updated_at": "2021-11-28T01:35:07.868000Z",
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},
{
"id": "mp-1212132",
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]
}