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{
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{
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{
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"structure_string": "K1 Ca1 Pr1 W1 O6\n1.0\n-0.000000 -4.164729 -4.164729\n4.164729 0.000000 -4.164729\n4.164729 -4.164729 0.000000\nK Ca Pr W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 W\n0.732830 0.267170 0.267170 O\n0.267170 0.732830 0.732830 O\n0.732830 0.267170 0.732830 O\n0.267170 0.732830 0.267170 O\n0.732830 0.732830 0.267170 O\n0.267170 0.267170 0.732830 O\n",
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},
{
"id": "mp-1195318",
"created_at": "2022-09-04T14:47:09.855621Z",
"structure_string": "Zn7 H10 S2 O18\n1.0\n-5.556889 -0.029154 -0.407400\n-0.449346 7.516479 -3.160291\n0.083966 0.025836 -9.029272\nZn H S O\n7 10 2 18\ndirect\n0.500000 0.000000 0.000000 Zn\n0.001060 0.190080 0.812799 Zn\n0.998940 0.809920 0.187201 Zn\n0.497044 0.344325 0.670219 Zn\n0.502956 0.655675 0.329781 Zn\n0.032823 0.352600 0.392330 Zn\n0.967176 0.647400 0.607670 Zn\n0.271457 0.112138 0.601074 H\n0.728543 0.887862 0.398926 H\n0.605175 0.321121 0.400682 H\n0.394825 0.678879 0.599318 H\n0.717087 0.668896 0.054469 H\n0.282913 0.331104 0.945531 H\n0.715189 0.003379 0.739778 H\n0.284811 0.996621 0.260222 H\n0.758819 0.445093 0.854192 H\n0.241181 0.554907 0.145808 H\n0.788586 0.213667 0.181827 S\n0.211414 0.786333 0.818173 S\n0.823092 0.093770 0.086810 O\n0.176908 0.906230 0.913190 O\n0.724620 0.396002 0.070746 O\n0.275380 0.603998 0.929254 O\n0.397074 0.859128 0.688909 O\n0.602926 0.140872 0.311091 O\n0.027106 0.204460 0.257814 O\n0.972894 0.795540 0.742186 O\n0.203961 0.230260 0.594092 O\n0.796039 0.769740 0.405908 O\n0.681422 0.402313 0.438463 O\n0.318578 0.597687 0.561537 O\n0.697801 0.754102 0.106938 O\n0.302199 0.245898 0.893062 O\n0.690966 0.095009 0.785000 O\n0.309034 0.904991 0.215000 O\n0.798302 0.435513 0.749210 O\n0.201698 0.564487 0.250790 O\n",
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"spacegroup": 2
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{
"id": "mp-6297",
"created_at": "2022-09-04T14:47:09.850586Z",
"structure_string": "Ca2 Cu2 Ge4 O12\n1.0\n4.597624 5.195396 0.000000\n-4.597624 5.195396 0.000000\n0.000000 1.609302 5.206027\nCa Cu Ge O\n2 2 4 12\ndirect\n0.699195 0.300805 0.250000 Ca\n0.300805 0.699195 0.750000 Ca\n0.097611 0.902389 0.250000 Cu\n0.902389 0.097611 0.750000 Cu\n0.619460 0.815771 0.211751 Ge\n0.184229 0.380540 0.288249 Ge\n0.380540 0.184229 0.788249 Ge\n0.815771 0.619460 0.711751 Ge\n0.671807 0.612861 0.475068 O\n0.387139 0.328193 0.024932 O\n0.328193 0.387139 0.524932 O\n0.612861 0.671807 0.975068 O\n0.901061 0.380385 0.838600 O\n0.619615 0.098939 0.661400 O\n0.098939 0.619616 0.161400 O\n0.380385 0.901061 0.338600 O\n0.801497 0.988043 0.118931 O\n0.011957 0.198503 0.381069 O\n0.198503 0.011957 0.881069 O\n0.988043 0.801497 0.618931 O\n",
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"volume": 248.7072919245271,
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"formula_full": "Ca2 Cu2 Ge4 O12",
"formula_reduced": "CaCu(GeO3)2",
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{
"id": "mp-776421",
"created_at": "2022-09-04T14:47:09.849141Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n2.614221 -4.527964 0.000000\n2.614221 4.527964 0.000000\n0.000000 0.000000 13.926488\nLi V O F\n3 6 3 15\ndirect\n0.693276 0.693276 0.500000 Li\n0.000000 0.306724 0.166667 Li\n0.306724 0.000000 0.833333 Li\n0.675925 0.690969 0.753452 V\n0.309031 0.984957 0.086785 V\n0.690969 0.675925 0.246548 V\n0.984957 0.309031 0.913215 V\n0.015043 0.324075 0.420119 V\n0.324075 0.015043 0.579881 V\n0.000000 0.936902 0.166667 O\n0.936902 0.000000 0.833333 O\n0.063098 0.063098 0.500000 O\n0.604849 0.941408 0.658647 F\n0.365744 0.682405 0.160869 F\n0.336559 0.395151 0.325314 F\n0.000000 0.727290 0.666667 F\n0.395151 0.336559 0.674686 F\n0.058592 0.663441 0.991980 F\n0.941408 0.604849 0.341353 F\n0.682405 0.365744 0.839131 F\n0.317595 0.683339 0.494203 F\n0.634256 0.316661 0.172464 F\n0.316661 0.634256 0.827536 F\n0.683339 0.317595 0.505797 F\n0.663441 0.058592 0.008020 F\n0.727290 0.000000 0.333333 F\n0.272710 0.272710 0.000000 F\n",
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{
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"structure_string": "La2 Mg4 Pd2\n1.0\n2.169307 -5.263484 0.000000\n2.169307 5.263484 0.000000\n0.000000 0.000000 8.406158\nLa Mg Pd\n2 4 2\ndirect\n0.439176 0.560824 0.250000 La\n0.560824 0.439176 0.750000 La\n0.152892 0.847108 0.446084 Mg\n0.847108 0.152892 0.553916 Mg\n0.847108 0.152892 0.946084 Mg\n0.152892 0.847108 0.053916 Mg\n0.723678 0.276322 0.250000 Pd\n0.276322 0.723678 0.750000 Pd\n",
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{
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"structure_string": "Ca6 La2 Mn7 Cr1 O24\n1.0\n7.652624 0.000000 0.000000\n0.016713 7.690020 0.000000\n0.021182 0.030144 7.698392\nCa La Mn Cr O\n6 2 7 1 24\ndirect\n0.248832 0.737165 0.227504 Ca\n0.750929 0.273408 0.264262 Ca\n0.249071 0.726592 0.735738 Ca\n0.751168 0.262835 0.772496 Ca\n0.250030 0.239267 0.730469 Ca\n0.749970 0.760733 0.269531 Ca\n0.750772 0.765075 0.759410 La\n0.249228 0.234925 0.240590 La\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.249862 0.538041 0.462771 O\n0.539139 0.527870 0.249809 O\n0.960910 0.530514 0.250603 O\n0.457666 0.750253 0.965384 O\n0.039793 0.745261 0.963713 O\n0.250618 0.470904 0.041510 O\n0.749382 0.529096 0.958490 O\n0.960207 0.254739 0.036287 O\n0.542334 0.249747 0.034616 O\n0.460861 0.472130 0.750191 O\n0.039090 0.469486 0.749397 O\n0.255425 0.051958 0.968443 O\n0.750138 0.461959 0.537229 O\n0.952449 0.029862 0.744456 O\n0.547255 0.028913 0.749520 O\n0.464581 0.249739 0.472889 O\n0.035256 0.250434 0.471337 O\n0.250576 0.975540 0.552014 O\n0.749424 0.024460 0.447986 O\n0.535419 0.750261 0.527111 O\n0.964744 0.749566 0.528663 O\n0.047551 0.970138 0.255544 O\n0.452745 0.971087 0.250480 O\n0.744575 0.948042 0.031557 O\n",
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{
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"formula_full": "Mo2 W2 Se8",
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{
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"structure_string": "Er3 Al3 Ni1 Ge2\n1.0\n3.446902 -5.970209 0.000000\n3.446902 5.970209 0.000000\n0.000000 0.000000 4.153817\nEr Al Ni Ge\n3 3 1 2\ndirect\n0.595794 0.595794 0.500000 Er\n0.404206 0.000000 0.500000 Er\n0.000000 0.404206 0.500000 Er\n0.000000 0.771395 0.000000 Al\n0.228605 0.228605 0.000000 Al\n0.771395 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n",
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"updated_at": "2021-11-28T01:37:56.831000Z",
"spacegroup": 61
},
{
"id": "mp-758032",
"created_at": "2022-09-04T14:47:09.835395Z",
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]
}