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{
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"created_at": "2022-09-04T14:46:10.360688Z",
"structure_string": "Mg1 Co4 Te8 O20\n1.0\n7.490453 0.000003 -0.112856\n0.000005 11.379872 0.000010\n-0.093699 0.000007 6.064145\nMg Co Te O\n1 4 8 20\ndirect\n0.500000 0.243807 0.750000 Mg\n1.000000 0.043083 0.250000 Co\n1.000000 0.922801 0.750000 Co\n0.500000 0.570787 0.250000 Co\n0.500000 0.473236 0.750000 Co\n0.151158 0.358878 0.487629 Te\n0.132072 0.652163 0.990709 Te\n0.353467 0.124708 0.069796 Te\n0.362117 0.836049 0.498839 Te\n0.646533 0.124708 0.430204 Te\n0.637883 0.836050 0.001160 Te\n0.867928 0.652162 0.509291 Te\n0.848842 0.358878 0.012372 Te\n1.000000 0.457147 0.250000 O\n1.000000 0.559877 0.750000 O\n0.147102 0.039432 0.978051 O\n0.151725 0.927070 0.453429 O\n0.207065 0.197867 0.323045 O\n0.184142 0.786485 0.811508 O\n0.294031 0.339080 0.774817 O\n0.300157 0.700618 0.331190 O\n0.356924 0.446779 0.419688 O\n0.356077 0.581653 0.946464 O\n0.499999 0.908430 0.250000 O\n0.500000 0.070520 0.750000 O\n0.643075 0.446779 0.080312 O\n0.643924 0.581651 0.553536 O\n0.705969 0.339079 0.725183 O\n0.699844 0.700618 0.168809 O\n0.792936 0.197867 0.176954 O\n0.815856 0.786484 0.688493 O\n0.852899 0.039431 0.521949 O\n0.848276 0.927069 0.046571 O\n",
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{
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"structure_string": "Zr1 N2\n1.0\n1.699386 -2.943422 0.000000\n1.699386 2.943422 0.000000\n0.000000 0.000000 4.370689\nZr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.776865 N\n0.333333 0.666667 0.223135 N\n",
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"spacegroup": 164
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{
"id": "mp-1219633",
"created_at": "2022-09-04T14:46:10.366393Z",
"structure_string": "Rb1 La2 Ti2 Nb1 O10\n1.0\n3.885529 0.000000 0.000000\n0.000000 3.885529 0.000000\n0.000000 0.000000 15.463257\nRb La Ti Nb O\n1 2 2 1 10\ndirect\n0.500000 0.500000 0.508866 Rb\n0.500000 0.500000 0.843367 La\n0.500000 0.500000 0.129443 La\n0.000000 0.000000 0.997583 Ti\n0.000000 0.000000 0.710481 Ti\n0.000000 0.000000 0.285619 Nb\n0.000000 0.000000 0.876779 O\n0.000000 0.000000 0.129692 O\n0.000000 0.000000 0.600677 O\n0.000000 0.000000 0.401463 O\n0.500000 0.000000 0.007868 O\n0.000000 0.500000 0.007868 O\n0.500000 0.000000 0.747125 O\n0.000000 0.500000 0.747125 O\n0.500000 0.000000 0.253023 O\n0.000000 0.500000 0.253023 O\n",
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"formula_full": "Rb1 La2 Ti2 Nb1 O10",
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"spacegroup": 99
},
{
"id": "mp-1233008",
"created_at": "2022-09-04T14:46:10.473611Z",
"structure_string": "Li1 Ta2 Te4 Br10 O1\n1.0\n7.922752 -0.280754 -0.526392\n2.374775 8.516715 -0.432331\n-0.075251 0.904393 10.171652\nLi Ta Te Br O\n1 2 4 10 1\ndirect\n0.600377 0.289489 0.638598 Li\n0.474913 0.374826 0.351421 Ta\n0.512651 0.648023 0.632951 Ta\n0.922876 0.802320 0.011503 Te\n0.102601 0.180548 0.002478 Te\n0.189376 0.900827 0.147740 Te\n0.817291 0.091293 0.883479 Te\n0.458262 0.172250 0.172463 Br\n0.603984 0.531838 0.199396 Br\n0.169464 0.532032 0.275458 Br\n0.773799 0.201196 0.429934 Br\n0.667755 0.790275 0.491184 Br\n0.340167 0.208810 0.506596 Br\n0.216222 0.803347 0.565958 Br\n0.818658 0.458450 0.718289 Br\n0.395548 0.469684 0.791556 Br\n0.545510 0.824300 0.825562 Br\n0.498882 0.499061 0.499179 O\n",
"nsites": 18,
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"elements": [
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"formula_full": "Li1 Ta2 Te4 Br10 O1",
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"spacegroup": 1
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{
"id": "mp-1195772",
"created_at": "2022-09-04T14:46:10.370656Z",
"structure_string": "K4 Nb8 P4 Se40\n1.0\n16.090969 0.000000 0.000000\n0.000000 7.545248 0.000000\n0.000000 3.937808 13.205641\nK Nb P Se\n4 8 4 40\ndirect\n0.244980 0.174395 0.677626 K\n0.755020 0.174395 0.177626 K\n0.253877 0.147397 0.206085 K\n0.746123 0.147397 0.706085 K\n0.036103 0.731641 0.958016 Nb\n0.963897 0.731641 0.458016 Nb\n0.022721 0.725287 0.665311 Nb\n0.977279 0.725287 0.165311 Nb\n0.525772 0.712777 0.949450 Nb\n0.474228 0.712777 0.449450 Nb\n0.535083 0.706396 0.656242 Nb\n0.464917 0.706396 0.156242 Nb\n0.201955 0.581603 0.826813 P\n0.798045 0.581603 0.326813 P\n0.702985 0.561951 0.837522 P\n0.297015 0.561951 0.337522 P\n0.057220 0.994974 0.500188 Se\n0.942780 0.994974 0.000188 Se\n0.029638 0.982879 0.772057 Se\n0.970362 0.982879 0.272057 Se\n0.081236 0.979357 0.051155 Se\n0.918764 0.979357 0.551155 Se\n0.441043 0.973631 0.536859 Se\n0.558957 0.973631 0.036859 Se\n0.531327 0.964176 0.764704 Se\n0.468673 0.964176 0.264704 Se\n0.421035 0.962287 0.987655 Se\n0.578965 0.962287 0.487655 Se\n0.203068 0.779741 0.921316 Se\n0.796932 0.779741 0.421316 Se\n0.083183 0.774434 0.311337 Se\n0.916817 0.774434 0.811337 Se\n0.694355 0.764043 0.928890 Se\n0.305645 0.764043 0.428890 Se\n0.417915 0.754540 0.791066 Se\n0.582085 0.754540 0.291066 Se\n0.195802 0.729876 0.660490 Se\n0.804198 0.729876 0.160490 Se\n0.291166 0.701933 0.169507 Se\n0.708834 0.701933 0.669507 Se\n0.083304 0.479558 0.131769 Se\n0.916696 0.479558 0.631769 Se\n0.069595 0.475552 0.850782 Se\n0.930405 0.475552 0.350782 Se\n0.053269 0.460865 0.575110 Se\n0.946731 0.460865 0.075110 Se\n0.432993 0.456868 0.623263 Se\n0.567007 0.456868 0.123263 Se\n0.570488 0.456788 0.845553 Se\n0.429512 0.456788 0.345553 Se\n0.568347 0.444204 0.561601 Se\n0.431653 0.444204 0.061601 Se\n0.299660 0.374502 0.865997 Se\n0.700340 0.374502 0.365997 Se\n0.799997 0.356475 0.891515 Se\n0.200003 0.356475 0.391515 Se\n",
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"spacegroup": 7
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{
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"structure_string": "Y1 Zn1 Hg2\n1.0\n-5.841188 6.227087 8.804754\n5.841188 -6.227087 8.804754\n5.841188 6.227087 -8.804754\nY Zn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.236080 0.236080 Hg\n0.000000 0.763920 0.763920 Hg\n",
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{
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"structure_string": "Li6 Co5 Ni3 O16\n1.0\n-2.863294 -4.925489 0.055876\n5.683352 0.037311 -0.052257\n-0.135186 -0.081004 9.185414\nLi Co Ni O\n6 5 3 16\ndirect\n0.829895 0.171179 0.448902 Li\n0.333916 0.170761 0.446324 Li\n0.829162 0.666418 0.446375 Li\n0.166272 0.333193 0.950456 Li\n0.664915 0.832217 0.950237 Li\n0.166700 0.832378 0.945602 Li\n0.829502 0.170881 0.714391 Co\n0.669546 0.330216 0.988425 Co\n0.170031 0.338943 0.214599 Co\n0.660563 0.829822 0.214608 Co\n0.333147 0.669728 0.486440 Co\n0.337366 0.167143 0.713970 Ni\n0.833079 0.662551 0.714059 Ni\n0.168579 0.832399 0.212539 Ni\n0.838130 0.161498 0.096685 O\n0.529960 0.033626 0.850705 O\n0.967374 0.470444 0.850741 O\n0.672337 0.328309 0.605893 O\n0.324907 0.166338 0.089050 O\n0.522881 0.475381 0.852093 O\n0.156567 0.336460 0.586162 O\n0.828982 0.670763 0.087793 O\n0.480777 0.518768 0.341093 O\n0.664607 0.843394 0.586275 O\n0.039191 0.515748 0.347074 O\n0.338292 0.663195 0.106994 O\n0.488561 0.962393 0.348382 O\n0.160221 0.841384 0.586670 O\n0.993799 0.005925 0.816549 O\n0.996469 0.002133 0.317012 O\n",
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{
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"structure_string": "Ce4 H12 C4 S4 O28\n1.0\n7.061569 0.000000 0.000000\n0.000000 7.061569 0.000000\n0.000000 0.000000 11.984058\nCe H C S O\n4 12 4 4 28\ndirect\n0.132740 0.391766 0.478364 Ce\n0.867260 0.608234 0.978364 Ce\n0.391766 0.867260 0.728364 Ce\n0.608234 0.132740 0.228364 Ce\n0.646371 0.482886 0.517516 H\n0.353629 0.517114 0.017516 H\n0.482886 0.353629 0.767516 H\n0.517114 0.646371 0.267516 H\n0.895742 0.315476 0.697429 H\n0.104258 0.684524 0.197429 H\n0.315476 0.104258 0.947429 H\n0.684524 0.895742 0.447429 H\n0.964246 0.114888 0.657113 H\n0.035754 0.885112 0.157113 H\n0.114888 0.035754 0.907113 H\n0.885112 0.964246 0.407113 H\n0.642358 0.395994 0.440897 C\n0.357642 0.604006 0.940897 C\n0.395994 0.357642 0.690897 C\n0.604006 0.642358 0.190897 C\n0.111764 0.258676 0.172675 S\n0.888236 0.741324 0.672675 S\n0.258676 0.888236 0.422675 S\n0.741324 0.111764 0.922675 S\n0.289813 0.162489 0.139092 O\n0.710187 0.837511 0.639092 O\n0.162489 0.710187 0.389092 O\n0.837511 0.289813 0.889092 O\n0.144337 0.377492 0.272748 O\n0.855663 0.622508 0.772748 O\n0.377492 0.855663 0.522748 O\n0.622508 0.144337 0.022748 O\n0.049246 0.380573 0.079133 O\n0.950754 0.619427 0.579133 O\n0.380573 0.950754 0.329133 O\n0.619427 0.049246 0.829133 O\n0.962086 0.113258 0.196626 O\n0.037914 0.886742 0.696626 O\n0.113258 0.037914 0.446626 O\n0.886742 0.962086 0.946626 O\n0.481371 0.344909 0.402087 O\n0.518629 0.655091 0.902087 O\n0.344909 0.518629 0.652087 O\n0.655091 0.481371 0.152087 O\n0.796867 0.352376 0.393305 O\n0.203133 0.647624 0.893305 O\n0.352376 0.203133 0.643305 O\n0.647624 0.796867 0.143305 O\n0.933879 0.244706 0.630946 O\n0.066121 0.755294 0.130946 O\n0.244706 0.066121 0.880946 O\n0.755294 0.933879 0.380946 O\n",
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{
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"structure_string": "Na4 Te2 O10\n1.0\n0.000000 0.000000 5.880267\n6.707134 0.000000 0.000000\n3.353567 6.874949 0.000000\nNa Te O\n4 2 10\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.750000 0.328646 0.342708 Na\n0.250000 0.671354 0.657292 Na\n0.750000 0.789763 0.420474 Te\n0.250000 0.210237 0.579526 Te\n0.250000 0.855433 0.289134 O\n0.750000 0.144567 0.710866 O\n0.942386 0.662683 0.281575 O\n0.057614 0.944257 0.718425 O\n0.557614 0.662683 0.281575 O\n0.442386 0.944257 0.718425 O\n0.057614 0.337317 0.718425 O\n0.942386 0.055743 0.281575 O\n0.442386 0.337317 0.718425 O\n0.557614 0.055743 0.281575 O\n",
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