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{
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{
"id": "mp-1208945",
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"structure_string": "Sm16 Mg4 Ru4\n1.0\n0.000000 6.978803 6.978803\n6.978803 0.000000 6.978803\n6.978803 6.978803 0.000000\nSm Mg Ru\n16 4 4\ndirect\n0.937451 0.562549 0.562549 Sm\n0.562549 0.937451 0.937451 Sm\n0.562549 0.937451 0.562549 Sm\n0.937451 0.562549 0.937451 Sm\n0.562549 0.562549 0.937451 Sm\n0.937451 0.937451 0.562549 Sm\n0.812267 0.187733 0.187733 Sm\n0.187733 0.812267 0.812267 Sm\n0.187733 0.812267 0.187733 Sm\n0.812267 0.187733 0.812267 Sm\n0.187733 0.187733 0.812267 Sm\n0.812267 0.812267 0.187733 Sm\n0.343199 0.343199 0.343199 Sm\n0.343199 0.343199 0.970402 Sm\n0.343199 0.970402 0.343199 Sm\n0.970402 0.343199 0.343199 Sm\n0.578829 0.578829 0.578829 Mg\n0.578829 0.578829 0.263514 Mg\n0.578829 0.263514 0.578829 Mg\n0.263514 0.578829 0.578829 Mg\n0.138301 0.138301 0.138301 Ru\n0.138301 0.138301 0.585096 Ru\n0.138301 0.585096 0.138301 Ru\n0.585096 0.138301 0.138301 Ru\n",
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{
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"structure_string": "Ag6 C3 O9\n1.0\n4.580044 -7.932869 0.000000\n4.580044 7.932869 0.000000\n0.000000 0.000000 3.408263\nAg C O\n6 3 9\ndirect\n0.665686 0.007291 0.500000 Ag\n0.341605 0.334314 0.500000 Ag\n0.992709 0.658395 0.500000 Ag\n0.664010 0.697301 0.000000 Ag\n0.033291 0.335990 0.000000 Ag\n0.302699 0.966709 0.000000 Ag\n0.000000 0.000000 0.500000 C\n0.333333 0.666667 0.500000 C\n0.666667 0.333333 0.000000 C\n0.946110 0.107319 0.500000 O\n0.161209 0.053890 0.500000 O\n0.892681 0.838791 0.500000 O\n0.388709 0.828105 0.500000 O\n0.171895 0.560604 0.500000 O\n0.439396 0.611291 0.500000 O\n0.502449 0.261085 0.000000 O\n0.758636 0.497551 0.000000 O\n0.738915 0.241364 0.000000 O\n",
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"elements": [
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"volume": 247.6640829751134,
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"formula_full": "Ag6 C3 O9",
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"spacegroup": 174
},
{
"id": "mp-2522",
"created_at": "2022-09-04T14:48:07.140169Z",
"structure_string": "Lu1 Hg1\n1.0\n3.655831 0.000000 0.000000\n0.000000 3.655831 0.000000\n0.000000 0.000000 3.655831\nLu Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"density": 12.76340720277349,
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"updated_at": "2021-11-28T01:38:29.881000Z",
"spacegroup": 221
},
{
"id": "mp-1217448",
"created_at": "2022-09-04T14:47:58.217798Z",
"structure_string": "Th4 P6 Pb1 O24\n1.0\n6.911754 0.000000 0.000000\n-0.003866 8.228782 0.000000\n-3.408707 -1.777304 8.633250\nTh P Pb O\n4 6 1 24\ndirect\n0.754829 0.466194 0.693683 Th\n0.067121 0.035041 0.310805 Th\n0.248901 0.538986 0.302090 Th\n0.940487 0.957835 0.687202 Th\n0.094364 0.248596 0.999547 P\n0.902161 0.750486 0.997249 P\n0.598367 0.185611 0.375551 P\n0.222923 0.315285 0.624276 P\n0.400964 0.814515 0.625339 P\n0.776790 0.683620 0.374443 P\n0.571777 0.131364 0.952524 Pb\n0.728158 0.156147 0.270935 O\n0.456711 0.336713 0.724011 O\n0.270302 0.849660 0.727665 O\n0.543326 0.657286 0.282453 O\n0.727831 0.167717 0.544933 O\n0.180173 0.329952 0.453494 O\n0.277244 0.831675 0.455056 O\n0.822588 0.670853 0.547808 O\n0.549439 0.372967 0.403300 O\n0.148411 0.126969 0.600179 O\n0.452667 0.629201 0.599823 O\n0.854106 0.871774 0.401325 O\n0.238850 0.407525 0.049396 O\n0.197870 0.092753 0.947073 O\n0.763934 0.587926 0.947341 O\n0.806597 0.913994 0.046546 O\n0.395666 0.074172 0.305635 O\n0.089815 0.426655 0.694939 O\n0.600048 0.933902 0.702642 O\n0.910842 0.572094 0.305494 O\n0.889511 0.245068 0.855571 O\n0.034120 0.239949 0.141863 O\n0.096278 0.752446 0.147114 O\n0.954127 0.757968 0.851293 O\n",
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"formula_full": "Th4 P6 Pb1 O24",
"formula_reduced": "Th4P6PbO24",
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"spacegroup": 1
},
{
"id": "mp-1205941",
"created_at": "2022-09-04T14:47:58.218613Z",
"structure_string": "Li3 Tm3 Ge3\n1.0\n3.493861 -6.051546 0.000000\n3.493861 6.051546 0.000000\n0.000000 0.000000 4.219494\nLi Tm Ge\n3 3 3\ndirect\n0.237055 0.000000 0.500000 Li\n0.000000 0.237055 0.500000 Li\n0.762945 0.762945 0.500000 Li\n0.579294 0.000000 0.000000 Tm\n0.000000 0.579294 0.000000 Tm\n0.420706 0.420706 0.000000 Tm\n0.333333 0.666667 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 9,
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"elements": [
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],
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"density": 6.93842655000828,
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"volume": 178.42772213916882,
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"formula_full": "Li3 Tm3 Ge3",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:38:20.440000Z",
"spacegroup": 189
},
{
"id": "mp-1220558",
"created_at": "2022-09-04T14:47:58.225403Z",
"structure_string": "Nb4 Cr4 Ge4\n1.0\n2.517791 -4.534202 0.000000\n2.517791 4.534202 0.000000\n0.000000 0.000000 7.810502\nNb Cr Ge\n4 4 4\ndirect\n0.334907 0.665093 0.180196 Nb\n0.664345 0.335655 0.306353 Nb\n0.664345 0.335655 0.693647 Nb\n0.334907 0.665093 0.819804 Nb\n0.006448 0.993552 0.244047 Cr\n0.006448 0.993552 0.755953 Cr\n0.835245 0.672145 0.000000 Cr\n0.327855 0.164755 0.000000 Cr\n0.823435 0.176565 0.000000 Ge\n0.170387 0.338485 0.500000 Ge\n0.661515 0.829613 0.500000 Ge\n0.169990 0.830010 0.500000 Ge\n",
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],
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"volume": 178.33208390683453,
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"formula_full": "Nb4 Cr4 Ge4",
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"formula_anonymous": "ABC",
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{
"id": "mp-757142",
"created_at": "2022-09-04T14:47:58.231919Z",
"structure_string": "Li4 Nb4 P16 O48\n1.0\n4.989804 -5.977120 0.000000\n4.989805 5.977120 0.000000\n0.000000 0.000000 17.115033\nLi Nb P O\n4 4 16 48\ndirect\n0.205741 0.086988 0.639760 Li\n0.913012 0.794259 0.860240 Li\n0.794259 0.913012 0.139760 Li\n0.086988 0.205741 0.360240 Li\n0.586000 0.981102 0.866575 Nb\n0.018898 0.414000 0.633425 Nb\n0.414000 0.018898 0.366575 Nb\n0.981102 0.586000 0.133425 Nb\n0.037324 0.748757 0.340354 P\n0.251243 0.962676 0.159646 P\n0.316279 0.781453 0.014487 P\n0.218547 0.683721 0.485513 P\n0.367760 0.632240 0.750000 P\n0.670750 0.730774 0.309347 P\n0.269226 0.329250 0.190653 P\n0.348337 0.348337 0.500000 P\n0.651663 0.651663 0.000000 P\n0.329250 0.269226 0.809347 P\n0.730774 0.670750 0.690653 P\n0.632240 0.367760 0.250000 P\n0.781453 0.316279 0.985513 P\n0.683721 0.218547 0.514487 P\n0.748757 0.037324 0.659646 P\n0.962676 0.251243 0.840354 P\n0.128954 0.937461 0.352075 O\n0.062539 0.871046 0.147925 O\n0.349415 0.952019 0.233748 O\n0.047981 0.650585 0.266252 O\n0.316679 0.867277 0.478211 O\n0.132723 0.683321 0.021789 O\n0.369729 0.899041 0.091436 O\n0.100959 0.630271 0.408564 O\n0.105102 0.636837 0.556040 O\n0.363163 0.894898 0.943960 O\n0.402304 0.799266 0.795329 O\n0.200734 0.597696 0.704671 O\n0.529195 0.792228 0.354830 O\n0.207772 0.470805 0.145170 O\n0.354782 0.549539 0.479690 O\n0.450461 0.645218 0.020310 O\n0.753882 0.839982 0.633604 O\n0.160018 0.246118 0.866396 O\n0.520918 0.617723 0.689235 O\n0.382277 0.479082 0.810765 O\n0.239346 0.296741 0.572205 O\n0.703259 0.760654 0.927795 O\n0.195935 0.281125 0.269063 O\n0.718875 0.804065 0.230937 O\n0.281125 0.195935 0.730937 O\n0.804065 0.718875 0.769063 O\n0.296741 0.239346 0.427795 O\n0.760654 0.703259 0.072205 O\n0.617723 0.520918 0.310765 O\n0.479082 0.382277 0.189235 O\n0.246118 0.160018 0.133604 O\n0.839982 0.753882 0.366396 O\n0.645218 0.450461 0.979690 O\n0.549539 0.354782 0.520310 O\n0.792228 0.529195 0.645170 O\n0.470805 0.207772 0.854830 O\n0.799266 0.402304 0.204671 O\n0.597696 0.200734 0.295329 O\n0.636837 0.105102 0.443960 O\n0.894898 0.363163 0.056040 O\n0.630271 0.100959 0.591436 O\n0.899041 0.369729 0.908564 O\n0.867277 0.316679 0.521789 O\n0.683321 0.132723 0.978211 O\n0.650585 0.047981 0.733748 O\n0.952019 0.349415 0.766252 O\n0.937461 0.128953 0.647925 O\n0.871047 0.062539 0.852075 O\n",
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{
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"structure_string": "Li6 Mo4 P6 O24\n1.0\n4.457066 7.514961 0.000000\n-4.457066 7.514961 0.000000\n0.000000 4.655019 7.422411\nLi Mo P O\n6 4 6 24\ndirect\n0.307042 0.061389 0.201536 Li\n0.061389 0.307042 0.701536 Li\n0.625847 0.368025 0.747518 Li\n0.368025 0.625847 0.247518 Li\n0.939204 0.696577 0.283066 Li\n0.696577 0.939204 0.783066 Li\n0.640989 0.149518 0.131824 Mo\n0.149518 0.640989 0.631824 Mo\n0.852299 0.361013 0.354795 Mo\n0.361013 0.852299 0.854795 Mo\n0.755974 0.525453 0.945697 P\n0.052141 0.949924 0.243179 P\n0.525453 0.755974 0.445697 P\n0.476361 0.245908 0.540454 P\n0.245908 0.476361 0.040454 P\n0.949924 0.052141 0.743179 P\n0.898713 0.980511 0.180162 O\n0.980511 0.898713 0.680162 O\n0.944757 0.518281 0.800825 O\n0.618386 0.724454 0.900628 O\n0.102394 0.021309 0.807536 O\n0.021309 0.102394 0.307536 O\n0.057071 0.483618 0.184674 O\n0.384049 0.277453 0.084898 O\n0.300524 0.614254 0.054686 O\n0.756266 0.070824 0.890226 O\n0.250193 0.525336 0.847800 O\n0.483618 0.057071 0.684674 O\n0.277453 0.384049 0.584898 O\n0.614254 0.300524 0.554686 O\n0.475742 0.753464 0.637707 O\n0.932563 0.244794 0.595217 O\n0.070824 0.756266 0.390226 O\n0.525336 0.250193 0.347800 O\n0.387683 0.700695 0.432026 O\n0.724454 0.618386 0.400628 O\n0.518281 0.944757 0.300825 O\n0.753464 0.475742 0.137707 O\n0.244794 0.932563 0.095217 O\n0.700695 0.387683 0.932026 O\n",
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"formula_full": "Li6 Mo4 P6 O24",
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{
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"structure_string": "Sr2 Cr1 Sn1 O6\n1.0\n0.000000 -4.001273 -4.001273\n4.001273 -0.000000 -4.001273\n4.001273 -4.001273 -0.000000\nSr Cr Sn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.756406 0.243594 0.243594 O\n0.243594 0.756406 0.756406 O\n0.756406 0.243594 0.756406 O\n0.243594 0.756406 0.243594 O\n0.756406 0.756406 0.243594 O\n0.243594 0.243594 0.756406 O\n",
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{
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"formula_full": "Mg2 Si4",
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"updated_at": "2021-11-28T01:38:28.380000Z",
"spacegroup": 12
},
{
"id": "mp-1519247",
"created_at": "2022-09-04T14:47:58.252856Z",
"structure_string": "Ba2 Ce1 Zr1 O6\n1.0\n0.000000 -4.368624 -4.368624\n4.368624 0.000000 -4.368624\n4.368624 -4.368624 0.000000\nBa Ce Zr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Zr\n0.743145 0.256855 0.256855 O\n0.256855 0.743145 0.743145 O\n0.743145 0.256855 0.743145 O\n0.256855 0.743145 0.256855 O\n0.743145 0.743145 0.256855 O\n0.256855 0.256855 0.743145 O\n",
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],
"chemical_system": "Ba-Ce-O-Zr",
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"formula_full": "Ba2 Ce1 Zr1 O6",
"formula_reduced": "Ba2CeZrO6",
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},
{
"id": "mp-1196814",
"created_at": "2022-09-04T14:47:58.258972Z",
"structure_string": "Rb8 As4 H20 O24\n1.0\n6.793170 0.000000 -3.956887\n-6.677757 0.000000 -4.317196\n0.000000 13.823129 0.000000\nRb As H O\n8 4 20 24\ndirect\n0.494679 0.751925 0.763126 Rb\n0.005321 0.748075 0.263126 Rb\n0.505321 0.248075 0.236874 Rb\n0.994679 0.251925 0.736874 Rb\n0.006262 0.754408 0.583305 Rb\n0.493738 0.745592 0.083305 Rb\n0.993738 0.245592 0.416695 Rb\n0.506262 0.254408 0.916695 Rb\n0.495103 0.237996 0.639946 As\n0.004897 0.262004 0.139946 As\n0.504897 0.762004 0.360054 As\n0.995103 0.737996 0.860054 As\n0.715058 0.051448 0.589782 H\n0.784942 0.448552 0.089782 H\n0.284942 0.948552 0.410218 H\n0.215058 0.551448 0.910218 H\n0.792248 0.122850 0.964868 H\n0.707752 0.377150 0.464868 H\n0.207752 0.877150 0.035132 H\n0.292248 0.622850 0.535132 H\n0.711070 0.872731 0.536895 H\n0.788930 0.627269 0.036895 H\n0.288930 0.127269 0.463105 H\n0.211070 0.372731 0.963105 H\n0.787680 0.943064 0.911320 H\n0.712320 0.556936 0.411320 H\n0.212320 0.056936 0.088680 H\n0.287680 0.443064 0.588680 H\n0.718062 0.492437 0.734690 H\n0.781938 0.007563 0.234690 H\n0.281938 0.507563 0.265310 H\n0.218062 0.992437 0.765310 H\n0.582160 0.453142 0.707409 O\n0.917840 0.046858 0.207409 O\n0.417840 0.546858 0.292591 O\n0.082160 0.953142 0.792591 O\n0.682556 0.246760 0.573288 O\n0.817444 0.253240 0.073288 O\n0.317444 0.753240 0.426712 O\n0.182556 0.746760 0.926712 O\n0.419612 0.059088 0.723310 O\n0.080388 0.440912 0.223310 O\n0.580388 0.940912 0.276690 O\n0.919612 0.559088 0.776690 O\n0.308274 0.234024 0.574877 O\n0.191726 0.265976 0.074877 O\n0.691726 0.765976 0.425123 O\n0.808274 0.734024 0.925123 O\n0.753920 0.948274 0.597997 O\n0.746080 0.551726 0.097997 O\n0.246080 0.051726 0.402003 O\n0.253920 0.448274 0.902003 O\n0.746798 0.044592 0.904871 O\n0.753202 0.455408 0.404871 O\n0.253202 0.955408 0.095129 O\n0.246798 0.544592 0.595129 O\n",
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"elements": [
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],
"chemical_system": "As-H-O-Rb",
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"volume": 770.6474068273986,
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"formula_full": "Rb8 As4 H20 O24",
"formula_reduced": "Rb2AsH5O6",
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"updated_at": "2021-11-28T01:38:28.821000Z",
"spacegroup": 14
}
]
}