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{
"id": "mp-1214964",
"created_at": "2022-09-04T14:44:09.891232Z",
"structure_string": "Ca42 Cd8 Bi36\n1.0\n8.589408 8.983161 0.000000\n-8.589408 8.983161 0.000000\n0.000000 0.705400 17.713612\nCa Cd Bi\n42 8 36\ndirect\n0.734307 0.734307 0.092306 Ca\n0.265693 0.265693 0.907694 Ca\n0.749787 0.076835 0.145086 Ca\n0.250213 0.923165 0.854914 Ca\n0.923165 0.250213 0.854914 Ca\n0.076835 0.749787 0.145086 Ca\n0.403839 0.740063 0.153909 Ca\n0.596161 0.259937 0.846091 Ca\n0.259937 0.596161 0.846091 Ca\n0.740063 0.403839 0.153909 Ca\n0.756603 0.072863 0.352763 Ca\n0.243397 0.927137 0.647237 Ca\n0.927137 0.243397 0.647237 Ca\n0.072863 0.756603 0.352763 Ca\n0.511079 0.257924 0.056042 Ca\n0.488921 0.742076 0.943958 Ca\n0.742076 0.488921 0.943958 Ca\n0.257924 0.511079 0.056042 Ca\n0.269914 0.003250 0.060635 Ca\n0.730086 0.996750 0.939365 Ca\n0.996750 0.730086 0.939365 Ca\n0.003250 0.269914 0.060635 Ca\n0.429260 0.677526 0.384506 Ca\n0.570740 0.322474 0.615494 Ca\n0.322474 0.570740 0.615494 Ca\n0.677526 0.429260 0.384506 Ca\n0.769876 0.007741 0.575486 Ca\n0.230124 0.992259 0.424514 Ca\n0.992259 0.230124 0.424514 Ca\n0.007741 0.769876 0.575486 Ca\n0.424750 0.070155 0.243049 Ca\n0.575250 0.929845 0.756951 Ca\n0.929845 0.575250 0.756951 Ca\n0.070155 0.424750 0.243049 Ca\n0.404157 0.404157 0.254717 Ca\n0.595843 0.595843 0.745283 Ca\n0.506333 0.181395 0.435075 Ca\n0.493667 0.818605 0.564925 Ca\n0.818605 0.493667 0.564925 Ca\n0.181395 0.506333 0.435075 Ca\n0.746783 0.746783 0.420543 Ca\n0.253217 0.253217 0.579457 Ca\n0.840813 0.840813 0.754156 Cd\n0.159187 0.159187 0.245844 Cd\n0.994116 0.994116 0.796793 Cd\n0.005884 0.005884 0.203207 Cd\n0.607125 0.853769 0.246501 Cd\n0.392875 0.146231 0.753499 Cd\n0.146231 0.392875 0.753499 Cd\n0.853769 0.607125 0.246501 Cd\n0.748976 0.748976 0.618968 Bi\n0.251024 0.251024 0.381032 Bi\n0.537138 0.537138 0.078340 Bi\n0.462862 0.462862 0.921660 Bi\n0.847333 0.847333 0.258308 Bi\n0.152667 0.152667 0.741692 Bi\n0.576656 0.576656 0.536939 Bi\n0.423344 0.423344 0.463061 Bi\n0.225380 0.915181 0.244217 Bi\n0.774620 0.084819 0.755783 Bi\n0.084819 0.774620 0.755783 Bi\n0.915181 0.225380 0.244217 Bi\n0.532988 0.929074 0.396785 Bi\n0.467012 0.070926 0.603215 Bi\n0.070926 0.467012 0.603215 Bi\n0.929074 0.532988 0.396785 Bi\n0.755513 0.244487 0.500000 Bi\n0.244487 0.755513 0.500000 Bi\n0.933483 0.933483 0.055611 Bi\n0.066517 0.066517 0.944389 Bi\n0.263300 0.263300 0.109570 Bi\n0.736700 0.736700 0.890430 Bi\n0.756589 0.243411 0.000000 Bi\n0.243411 0.756589 0.000000 Bi\n0.543736 0.942733 0.090381 Bi\n0.456264 0.057267 0.909619 Bi\n0.057267 0.456264 0.909619 Bi\n0.942733 0.543736 0.090381 Bi\n0.608144 0.608144 0.258045 Bi\n0.391856 0.391856 0.741955 Bi\n0.949798 0.949798 0.431992 Bi\n0.050202 0.050202 0.568008 Bi\n0.602326 0.239858 0.255631 Bi\n0.397674 0.760142 0.744369 Bi\n0.760142 0.397674 0.744369 Bi\n0.239858 0.602326 0.255631 Bi\n",
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"formula_full": "Ca42 Cd8 Bi36",
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"spacegroup": 12
},
{
"id": "mp-1217949",
"created_at": "2022-09-04T14:44:09.904744Z",
"structure_string": "Ta1 Nb2 Fe1 Se10\n1.0\n3.541356 0.000000 0.000000\n0.000000 9.692018 0.000000\n0.000000 3.864733 9.410934\nTa Nb Fe Se\n1 2 1 10\ndirect\n0.500000 0.458900 0.918060 Ta\n0.000000 0.284475 0.627328 Nb\n0.500000 0.714270 0.361943 Nb\n0.000000 0.542811 0.103367 Fe\n0.500000 0.063235 0.750721 Se\n0.000000 0.937032 0.239984 Se\n0.500000 0.488432 0.631449 Se\n0.000000 0.513753 0.354840 Se\n0.500000 0.166475 0.499415 Se\n0.000000 0.828680 0.490779 Se\n0.000000 0.257951 0.908145 Se\n0.500000 0.723829 0.091394 Se\n0.000000 0.664306 0.846039 Se\n0.500000 0.355851 0.176535 Se\n",
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"elements": [
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"formula_full": "Ta1 Nb2 Fe1 Se10",
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{
"id": "mp-778072",
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"structure_string": "Ba4 Y10 F38\n1.0\n6.317723 0.000000 0.000000\n0.000000 7.889153 0.000000\n0.000000 2.668279 26.084975\nBa Y F\n4 10 38\ndirect\n0.235564 0.763683 0.738087 Ba\n0.267419 0.766088 0.170715 Ba\n0.767419 0.233912 0.829285 Ba\n0.735564 0.236317 0.261913 Ba\n0.758955 0.841078 0.969631 Y\n0.746161 0.829670 0.535706 Y\n0.241186 0.861433 0.332530 Y\n0.264167 0.557998 0.900546 Y\n0.246391 0.469247 0.596681 Y\n0.746391 0.530753 0.403319 Y\n0.764167 0.442002 0.099454 Y\n0.741186 0.138567 0.667470 Y\n0.246161 0.170330 0.464294 Y\n0.258955 0.158922 0.030369 Y\n0.025177 0.988644 0.997921 F\n0.478187 0.990357 0.703235 F\n0.753452 0.966943 0.604882 F\n0.933035 0.959209 0.718595 F\n0.002533 0.995088 0.500598 F\n0.480654 0.708421 0.943004 F\n0.258693 0.013202 0.104894 F\n0.989393 0.676006 0.935086 F\n0.271685 0.748393 0.833798 F\n0.487048 0.660191 0.567044 F\n0.235685 0.709305 0.267069 F\n0.511319 0.717291 0.368543 F\n0.249931 0.565201 0.671210 F\n0.743934 0.677556 0.470236 F\n0.991649 0.649560 0.569130 F\n0.013892 0.693931 0.375603 F\n0.578016 0.594210 0.149724 F\n0.251698 0.346736 0.962552 F\n0.536291 0.433540 0.869158 F\n0.036291 0.566460 0.130842 F\n0.751698 0.653264 0.037448 F\n0.078016 0.405790 0.850276 F\n0.513892 0.306069 0.624397 F\n0.491649 0.350440 0.430870 F\n0.243934 0.322444 0.529764 F\n0.749931 0.434799 0.328790 F\n0.011319 0.282709 0.631457 F\n0.735685 0.290695 0.732931 F\n0.987048 0.339809 0.432956 F\n0.771685 0.251607 0.166202 F\n0.489393 0.323994 0.064914 F\n0.758693 0.986798 0.895106 F\n0.980654 0.291579 0.056996 F\n0.502533 0.004912 0.499402 F\n0.433035 0.040791 0.281405 F\n0.253452 0.033057 0.395118 F\n0.978187 0.009643 0.296765 F\n0.525177 0.011356 0.002079 F\n",
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{
"id": "mp-1204376",
"created_at": "2022-09-04T14:44:09.919973Z",
"structure_string": "La2 Cd40 Ni4\n1.0\n0.000000 7.921700 7.921700\n7.921700 0.000000 7.921700\n7.921700 7.921700 0.000000\nLa Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.568678 0.300502 0.300502 Cd\n0.300502 0.568678 0.830318 Cd\n0.300502 0.830318 0.568678 Cd\n0.830318 0.300502 0.300502 Cd\n0.300502 0.300502 0.568678 Cd\n0.568678 0.830318 0.300502 Cd\n0.830318 0.568678 0.300502 Cd\n0.300502 0.300502 0.830318 Cd\n0.300502 0.568678 0.300502 Cd\n0.830318 0.300502 0.568678 Cd\n0.568678 0.300502 0.830318 Cd\n0.300502 0.830318 0.300502 Cd\n0.681322 0.949498 0.949498 Cd\n0.949498 0.681322 0.419682 Cd\n0.949498 0.419682 0.681322 Cd\n0.419682 0.949498 0.949498 Cd\n0.949498 0.949498 0.681322 Cd\n0.681322 0.419682 0.949498 Cd\n0.419682 0.681322 0.949498 Cd\n0.949498 0.949498 0.419682 Cd\n0.949498 0.681322 0.949498 Cd\n0.419682 0.949498 0.681322 Cd\n0.681322 0.949498 0.419682 Cd\n0.949498 0.419682 0.949498 Cd\n0.863017 0.863017 0.136983 Cd\n0.136983 0.136983 0.863017 Cd\n0.863017 0.136983 0.863017 Cd\n0.136983 0.863017 0.136983 Cd\n0.136983 0.863017 0.863017 Cd\n0.863017 0.136983 0.136983 Cd\n0.386983 0.386983 0.113017 Cd\n0.113017 0.113017 0.386983 Cd\n0.386983 0.113017 0.386983 Cd\n0.113017 0.386983 0.113017 Cd\n0.113017 0.386983 0.386983 Cd\n0.386983 0.113017 0.113017 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
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"formula_full": "La2 Cd40 Ni4",
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},
{
"id": "mp-1211548",
"created_at": "2022-09-04T14:44:09.906558Z",
"structure_string": "K3 La3 S6 O27\n1.0\n3.662152 -6.343033 0.000000\n3.662152 6.343033 0.000000\n0.000000 0.000000 13.429506\nK La S O\n3 3 6 27\ndirect\n0.449470 0.000000 0.333333 K\n0.000000 0.449470 0.666667 K\n0.550530 0.550530 0.000000 K\n0.453808 0.000000 0.833333 La\n0.000000 0.453808 0.166667 La\n0.546192 0.546192 0.500000 La\n0.446475 0.006031 0.594020 S\n0.993969 0.440445 0.927353 S\n0.006031 0.446475 0.405980 S\n0.559555 0.553525 0.260687 S\n0.440445 0.993969 0.072647 S\n0.553525 0.559555 0.739313 S\n0.421883 0.159653 0.531708 O\n0.840347 0.262229 0.865041 O\n0.159653 0.421883 0.468292 O\n0.737771 0.578117 0.198375 O\n0.262229 0.840347 0.134959 O\n0.578117 0.737771 0.801625 O\n0.372865 0.489225 0.668376 O\n0.510775 0.883640 0.001709 O\n0.489225 0.372865 0.331624 O\n0.116360 0.627135 0.335043 O\n0.883640 0.510775 0.998291 O\n0.627135 0.116360 0.664957 O\n0.516838 0.381606 0.806255 O\n0.618394 0.135232 0.139588 O\n0.381606 0.516838 0.193745 O\n0.864768 0.483162 0.472921 O\n0.135232 0.618394 0.860412 O\n0.483162 0.864768 0.527079 O\n0.101739 0.000000 0.833333 O\n0.000000 0.101739 0.166667 O\n0.898261 0.898261 0.500000 O\n0.118420 0.374915 0.991837 O\n0.625085 0.743504 0.325171 O\n0.374915 0.118420 0.008163 O\n0.256496 0.881580 0.658504 O\n0.743504 0.625085 0.674829 O\n0.881580 0.256496 0.341496 O\n",
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{
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{
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