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{
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{
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"formula_full": "Ba2 Na4 Al8 Si8 O32",
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{
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"structure_string": "Ca2 Mn4 P8 O28\n1.0\n6.243485 0.139587 0.731388\n0.113280 6.981762 2.833221\n-0.062685 -6.427527 9.696121\nCa Mn P O\n2 4 8 28\ndirect\n0.335175 0.749033 0.177444 Ca\n0.335111 0.248993 0.677454 Ca\n0.849903 0.703202 0.957215 Mn\n0.153604 0.796084 0.537434 Mn\n0.849839 0.203312 0.457198 Mn\n0.153550 0.296176 0.037496 Mn\n0.880556 0.033885 0.176193 P\n0.880536 0.533829 0.676202 P\n0.116036 0.472940 0.320609 P\n0.116134 0.972924 0.820586 P\n0.644444 0.350090 0.099620 P\n0.644445 0.850019 0.599619 P\n0.356838 0.158041 0.393703 P\n0.356899 0.657975 0.893653 P\n0.913023 0.419592 0.376223 O\n0.913048 0.919465 0.876206 O\n0.094267 0.070889 0.117790 O\n0.094237 0.570787 0.617746 O\n0.180138 0.664251 0.372715 O\n0.180073 0.164221 0.872724 O\n0.810098 0.847934 0.117283 O\n0.809970 0.347933 0.617303 O\n0.124920 0.474300 0.187044 O\n0.124980 0.974226 0.687055 O\n0.889565 0.030730 0.307945 O\n0.889657 0.530593 0.807931 O\n0.464570 0.282095 0.023710 O\n0.464643 0.781916 0.523710 O\n0.534620 0.211005 0.475708 O\n0.534677 0.710882 0.975699 O\n0.698087 0.190456 0.171209 O\n0.698118 0.690484 0.671284 O\n0.311660 0.329296 0.333736 O\n0.311747 0.829342 0.833772 O\n0.851175 0.358116 0.019063 O\n0.851245 0.857967 0.519047 O\n0.411573 0.991041 0.300605 O\n0.411624 0.491062 0.800529 O\n0.581308 0.524629 0.187159 O\n0.581318 0.024577 0.687084 O\n0.159155 0.150150 0.482823 O\n0.159193 0.650044 0.982773 O\n",
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],
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"formula_full": "Ca2 Mn4 P8 O28",
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"spacegroup": 1
},
{
"id": "mp-1027404",
"created_at": "2022-09-04T14:43:51.359576Z",
"structure_string": "Mo3 W1 Se6 S2\n1.0\n1.645647 -2.850344 0.000000\n1.645647 2.850344 0.000000\n0.000000 0.000000 37.074346\nMo W Se S\n3 1 6 2\ndirect\n0.000000 0.000000 0.093912 Mo\n0.333333 0.666667 0.281779 Mo\n0.333333 0.666667 0.657548 Mo\n0.000000 0.000000 0.469663 W\n0.000000 0.000000 0.327254 Se\n0.000000 0.000000 0.703009 Se\n0.333333 0.666667 0.423968 Se\n0.333333 0.666667 0.515362 Se\n0.000000 0.000000 0.236342 Se\n0.000000 0.000000 0.612076 Se\n0.333333 0.666667 0.052522 S\n0.333333 0.666667 0.135313 S\n",
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"formula_full": "Mo3 W1 Se6 S2",
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{
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"structure_string": "C8\n1.0\n-2.238470 2.238470 2.238470\n2.238470 -2.238470 2.238470\n2.238470 2.238470 -2.238470\nC\n8\ndirect\n0.500000 0.000000 0.688271 C\n0.688271 0.500000 0.000000 C\n0.000000 0.688271 0.500000 C\n0.811729 0.811729 0.811729 C\n0.500000 0.000000 0.311729 C\n0.311729 0.500000 0.000000 C\n0.000000 0.311729 0.500000 C\n0.188271 0.188271 0.188271 C\n",
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{
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"structure_string": "Na4 Al4 Si6 H8 O24\n1.0\n7.461161 0.000000 0.000000\n-0.918947 9.445877 0.000000\n-0.048897 -4.663190 8.840036\nNa Al Si H O\n4 4 6 8 24\ndirect\n0.142944 0.360162 0.865990 Na\n0.608024 0.914973 0.808670 Na\n0.272623 0.747716 0.450605 Na\n0.071648 0.733280 0.763627 Na\n0.064579 0.356059 0.439136 Al\n0.304875 0.075279 0.415295 Al\n0.560237 0.410324 0.970835 Al\n0.063783 0.763326 0.157059 Al\n0.709855 0.947859 0.179559 Si\n0.421245 0.519844 0.614702 Si\n0.962707 0.086486 0.032980 Si\n0.357402 0.073394 0.705941 Si\n0.392383 0.709566 0.963791 Si\n0.888786 0.435151 0.153903 Si\n0.173781 0.195920 0.353705 H\n0.577522 0.448111 0.413135 H\n0.148615 0.084026 0.083875 H\n0.433053 0.375479 0.630439 H\n0.776396 0.582223 0.956595 H\n0.872896 0.448828 0.771779 H\n0.065585 0.987375 0.769872 H\n0.792832 0.590191 0.486198 H\n0.238146 0.514671 0.521169 O\n0.493243 0.945173 0.620402 O\n0.427910 0.674483 0.784176 O\n0.589301 0.543463 0.513024 O\n0.625930 0.021027 0.350874 O\n0.427337 0.226635 0.872738 O\n0.911561 0.326338 0.557976 O\n0.026721 0.573700 0.151973 O\n0.540762 0.868095 0.050556 O\n0.843837 0.813864 0.149787 O\n0.935281 0.439143 0.331564 O\n0.501959 0.137108 0.346542 O\n0.747606 0.467227 0.887534 O\n0.897366 0.944914 0.870038 O\n0.920254 0.603933 0.454326 O\n0.965853 0.266578 0.039788 O\n0.673937 0.433928 0.139481 O\n0.183341 0.957760 0.724608 O\n0.824450 0.099719 0.168141 O\n0.182580 0.743840 0.993426 O\n0.275633 0.156779 0.608587 O\n0.201715 0.884924 0.315530 O\n0.419079 0.558778 0.992917 O\n0.984428 0.452340 0.710788 O\n",
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{
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"structure_string": "Li6 Sb6 P16 O58\n1.0\n4.921056 8.491408 0.000000\n-4.921056 8.491408 0.000000\n0.000000 0.069556 14.349166\nLi Sb P O\n6 6 16 58\ndirect\n0.052816 0.965288 0.496524 Li\n0.965288 0.052816 0.996524 Li\n0.324623 0.903627 0.051233 Li\n0.903627 0.324623 0.551233 Li\n0.773859 0.898096 0.551811 Li\n0.898096 0.773859 0.051811 Li\n0.436405 0.561557 0.749403 Sb\n0.561557 0.436405 0.249403 Sb\n0.434061 0.001860 0.253402 Sb\n0.561284 0.003972 0.749370 Sb\n0.001860 0.434061 0.753402 Sb\n0.003972 0.561284 0.249370 Sb\n0.304840 0.776203 0.345844 P\n0.309911 0.913071 0.842480 P\n0.776203 0.304840 0.845844 P\n0.666012 0.669245 0.128124 P\n0.669245 0.666012 0.628124 P\n0.913071 0.309911 0.342480 P\n0.083466 0.219916 0.157128 P\n0.776324 0.912136 0.344513 P\n0.219916 0.083466 0.657128 P\n0.912136 0.776324 0.844513 P\n0.085194 0.693800 0.661112 P\n0.333308 0.333711 0.872200 P\n0.333711 0.333308 0.372200 P\n0.223818 0.696256 0.157957 P\n0.693800 0.085194 0.161112 P\n0.696256 0.223818 0.657957 P\n0.206282 0.788195 0.252786 O\n0.213181 0.795162 0.077149 O\n0.336351 0.744117 0.833823 O\n0.204334 0.010330 0.755127 O\n0.199709 0.003039 0.576674 O\n0.336201 0.917173 0.338951 O\n0.465101 0.619890 0.336618 O\n0.519201 0.677628 0.675061 O\n0.619890 0.465101 0.836618 O\n0.795162 0.213181 0.577149 O\n0.788195 0.206282 0.752786 O\n0.744117 0.336351 0.333823 O\n0.510608 0.813415 0.169881 O\n0.473159 0.903982 0.831762 O\n0.677628 0.519201 0.175061 O\n0.661980 0.677374 0.025171 O\n0.677374 0.661980 0.525171 O\n0.813415 0.510608 0.669881 O\n0.623682 0.900867 0.333408 O\n0.680121 0.813114 0.666359 O\n0.917173 0.336201 0.838951 O\n0.010330 0.204334 0.255127 O\n0.003039 0.199709 0.076674 O\n0.985217 0.228399 0.431226 O\n0.903982 0.473159 0.331762 O\n0.813114 0.680121 0.166359 O\n0.079522 0.258365 0.660048 O\n0.900867 0.623682 0.833408 O\n0.743604 0.919405 0.834235 O\n0.228399 0.985217 0.931226 O\n0.796239 0.992551 0.082286 O\n0.784540 0.012132 0.258424 O\n0.258365 0.079522 0.160048 O\n0.087440 0.377318 0.162461 O\n0.919405 0.743604 0.334235 O\n0.194474 0.316388 0.827194 O\n0.087065 0.534092 0.667110 O\n0.992551 0.796239 0.582286 O\n0.982231 0.785811 0.933809 O\n0.012132 0.784540 0.758424 O\n0.081449 0.664479 0.157292 O\n0.316388 0.194474 0.327194 O\n0.377318 0.087440 0.662461 O\n0.193912 0.487798 0.326046 O\n0.332738 0.333255 0.974591 O\n0.333255 0.332738 0.474591 O\n0.317699 0.488034 0.826175 O\n0.534092 0.087065 0.167110 O\n0.487798 0.193912 0.826046 O\n0.257135 0.660587 0.660092 O\n0.208168 0.792024 0.427999 O\n0.377285 0.533667 0.163885 O\n0.488034 0.317699 0.326175 O\n0.533667 0.377285 0.663885 O\n0.664479 0.081449 0.657292 O\n0.785811 0.982231 0.433809 O\n0.660587 0.257135 0.160092 O\n0.792024 0.208168 0.927999 O\n",
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{
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