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{
"id": "mp-1205811",
"created_at": "2022-09-04T14:43:03.355083Z",
"structure_string": "K3 Ir1 F6\n1.0\n0.770511 1.368763 -6.544223\n-4.065232 -7.045189 1.190796\n-2.538549 6.180592 -0.581786\nK Ir F\n3 1 6\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Ir\n0.773459 0.054271 0.279589 F\n0.226541 0.945729 0.720411 F\n0.782292 0.778574 0.709711 F\n0.217708 0.221426 0.290289 F\n0.068886 0.775627 0.997563 F\n0.931114 0.224373 0.002437 F\n",
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{
"id": "mp-1226874",
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"structure_string": "Ce4 Th1 O10\n1.0\n-1.942718 1.942718 13.729463\n1.942718 -1.942718 13.729463\n1.942718 1.942718 -13.729463\nCe Th O\n4 1 10\ndirect\n0.398487 0.398487 0.000000 Ce\n0.799486 0.799486 0.000000 Ce\n0.200514 0.200514 0.000000 Ce\n0.601513 0.601513 0.000000 Ce\n0.000000 0.000000 0.000000 Th\n0.151006 0.651006 0.500000 O\n0.551628 0.051628 0.500000 O\n0.948372 0.448372 0.500000 O\n0.348994 0.848994 0.500000 O\n0.750000 0.250000 0.500000 O\n0.051628 0.551628 0.500000 O\n0.448372 0.948372 0.500000 O\n0.848994 0.348994 0.500000 O\n0.250000 0.750000 0.500000 O\n0.651006 0.151006 0.500000 O\n",
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"elements": [
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"density": 7.630960663209743,
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{
"id": "mp-582126",
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"structure_string": "La8 Ni40 As24\n1.0\n3.916152 0.000000 0.000000\n0.000000 11.240353 0.000000\n0.000000 0.000000 24.364506\nLa Ni As\n8 40 24\ndirect\n0.250000 0.087624 0.337667 La\n0.750000 0.086583 0.103551 La\n0.750000 0.586583 0.396449 La\n0.250000 0.913417 0.896449 La\n0.250000 0.587624 0.162333 La\n0.750000 0.412376 0.837667 La\n0.750000 0.912376 0.662333 La\n0.250000 0.413417 0.603551 La\n0.750000 0.479666 0.269713 Ni\n0.750000 0.662010 0.748716 Ni\n0.250000 0.337990 0.251284 Ni\n0.250000 0.117262 0.589287 Ni\n0.250000 0.020334 0.769713 Ni\n0.750000 0.979666 0.230287 Ni\n0.250000 0.207623 0.489499 Ni\n0.250000 0.479306 0.033716 Ni\n0.750000 0.195307 0.233174 Ni\n0.250000 0.589824 0.496014 Ni\n0.250000 0.617262 0.910713 Ni\n0.250000 0.304693 0.733174 Ni\n0.750000 0.602840 0.649832 Ni\n0.250000 0.279080 0.152641 Ni\n0.750000 0.020694 0.533716 Ni\n0.750000 0.292377 0.989499 Ni\n0.750000 0.882738 0.410713 Ni\n0.750000 0.102840 0.850168 Ni\n0.250000 0.397160 0.350168 Ni\n0.750000 0.410176 0.503986 Ni\n0.750000 0.287154 0.413412 Ni\n0.250000 0.837990 0.248716 Ni\n0.250000 0.212846 0.913412 Ni\n0.750000 0.787154 0.086588 Ni\n0.750000 0.910176 0.996014 Ni\n0.250000 0.979306 0.466284 Ni\n0.250000 0.520334 0.730287 Ni\n0.750000 0.520694 0.966284 Ni\n0.250000 0.712846 0.586588 Ni\n0.250000 0.707623 0.010501 Ni\n0.250000 0.089824 0.003986 Ni\n0.750000 0.162010 0.751284 Ni\n0.750000 0.720920 0.847359 Ni\n0.750000 0.382738 0.089287 Ni\n0.250000 0.779080 0.347359 Ni\n0.250000 0.804693 0.766826 Ni\n0.750000 0.792377 0.510501 Ni\n0.750000 0.695307 0.266826 Ni\n0.750000 0.220920 0.652641 Ni\n0.250000 0.897160 0.149832 Ni\n0.750000 0.599907 0.552837 As\n0.750000 0.726881 0.943551 As\n0.750000 0.411825 0.703380 As\n0.750000 0.088491 0.440052 As\n0.250000 0.773119 0.443551 As\n0.250000 0.088175 0.203380 As\n0.250000 0.623206 0.814456 As\n0.250000 0.123206 0.685544 As\n0.250000 0.701023 0.682640 As\n0.750000 0.588491 0.059948 As\n0.250000 0.273119 0.056449 As\n0.750000 0.798977 0.182640 As\n0.750000 0.298977 0.317360 As\n0.750000 0.876794 0.314456 As\n0.750000 0.226881 0.556449 As\n0.750000 0.376794 0.185544 As\n0.250000 0.201023 0.817360 As\n0.250000 0.400093 0.447163 As\n0.250000 0.411509 0.940052 As\n0.250000 0.900093 0.052837 As\n0.250000 0.588175 0.296620 As\n0.750000 0.099907 0.947163 As\n0.250000 0.911509 0.559948 As\n0.750000 0.911825 0.796620 As\n",
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"elements": [
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"density": 8.13950666290756,
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"volume": 1072.499505579693,
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"formula_full": "La8 Ni40 As24",
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"energy": -424.98485275,
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"spacegroup": 62
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{
"id": "mp-867626",
"created_at": "2022-09-04T14:43:03.215135Z",
"structure_string": "Tl12 Os12 O40\n1.0\n-3.693696 3.693696 15.683813\n3.693696 -3.693696 15.683813\n3.693696 3.693696 -15.683813\nTl Os O\n12 12 40\ndirect\n0.039752 0.278400 0.238648 Tl\n0.039752 0.801103 0.761352 Tl\n0.375000 0.625000 0.750000 Tl\n0.875000 0.625000 0.250000 Tl\n0.710248 0.448897 0.738648 Tl\n0.710248 0.971600 0.261352 Tl\n0.551103 0.289752 0.261352 Tl\n0.028400 0.289752 0.738648 Tl\n0.375000 0.125000 0.750000 Tl\n0.375000 0.625000 0.250000 Tl\n0.198897 0.960248 0.238648 Tl\n0.721600 0.960248 0.761352 Tl\n0.541756 0.791261 0.249504 Os\n0.541756 0.292252 0.750496 Os\n0.375000 0.125000 0.250000 Os\n0.875000 0.125000 0.750000 Os\n0.208244 0.458739 0.250496 Os\n0.208244 0.957748 0.749504 Os\n0.042252 0.791756 0.250496 Os\n0.541261 0.791756 0.749504 Os\n0.875000 0.125000 0.250000 Os\n0.875000 0.625000 0.750000 Os\n0.208739 0.458244 0.750496 Os\n0.707748 0.458244 0.249504 Os\n0.566810 0.566810 0.000000 O\n0.776200 0.278469 0.887683 O\n0.390786 0.278469 0.502269 O\n0.390786 0.888517 0.112317 O\n0.776200 0.888517 0.497731 O\n0.086027 0.586027 0.500000 O\n0.106112 0.106112 0.000000 O\n0.643888 0.143888 0.500000 O\n0.663973 0.663973 0.000000 O\n0.973800 0.971531 0.612317 O\n0.359214 0.971531 0.997731 O\n0.973800 0.361483 0.002269 O\n0.359214 0.361483 0.387683 O\n0.183190 0.683190 0.500000 O\n0.227670 0.227670 0.000000 O\n0.066628 0.933372 0.500000 O\n0.433372 0.933372 0.866743 O\n0.433372 0.566628 0.500000 O\n0.066628 0.566628 0.133257 O\n0.772330 0.772330 0.000000 O\n0.316810 0.816810 0.500000 O\n0.638517 0.640786 0.612317 O\n0.028469 0.026200 0.387683 O\n0.336027 0.336027 0.000000 O\n0.028469 0.640786 0.002269 O\n0.638517 0.026200 0.997731 O\n0.856112 0.356112 0.500000 O\n0.893888 0.893888 0.000000 O\n0.413973 0.913973 0.500000 O\n0.111483 0.609214 0.887683 O\n0.721531 0.609214 0.497731 O\n0.111483 0.223800 0.502269 O\n0.721531 0.223800 0.112317 O\n0.433190 0.433190 0.000000 O\n0.977670 0.477670 0.500000 O\n0.316628 0.683372 0.000000 O\n0.683372 0.316628 0.000000 O\n0.683372 0.683372 0.366743 O\n0.316628 0.316628 0.633257 O\n0.522330 0.022330 0.500000 O\n",
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"spacegroup": 141
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{
"id": "mp-1028075",
"created_at": "2022-09-04T14:43:03.217512Z",
"structure_string": "Mg14 Mn1 Cr1\n1.0\n6.277965 -0.011911 0.000000\n-3.149298 5.454744 0.000000\n0.000000 0.000000 10.065234\nMg Mn Cr\n14 1 1\ndirect\n0.168073 0.334036 0.625000 Mg\n0.167983 0.833991 0.625000 Mg\n0.665494 0.333087 0.125000 Mg\n0.665596 0.333018 0.625000 Mg\n0.665494 0.832406 0.125000 Mg\n0.665596 0.832577 0.625000 Mg\n0.327402 0.164382 0.365144 Mg\n0.327402 0.164382 0.884856 Mg\n0.327402 0.663021 0.365144 Mg\n0.327402 0.663021 0.884856 Mg\n0.838187 0.169094 0.372093 Mg\n0.838187 0.169094 0.877907 Mg\n0.837778 0.668889 0.372024 Mg\n0.837778 0.668889 0.877976 Mg\n0.168977 0.334488 0.125000 Mn\n0.171251 0.835625 0.125000 Cr\n",
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{
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"structure_string": "Cs2 Hg4\n1.0\n-2.893306 4.497847 4.759781\n2.893306 -4.497847 4.759781\n2.893306 4.497847 -4.759781\nCs Hg\n2 4\ndirect\n0.310016 0.060016 0.250000 Cs\n0.689984 0.939984 0.750000 Cs\n0.906090 0.334108 0.571982 Hg\n0.093910 0.665892 0.428018 Hg\n0.262125 0.334108 0.928018 Hg\n0.737875 0.665892 0.071982 Hg\n",
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{
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{
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"structure_string": "Mg1 Au4 Se4 Cl4 O12\n1.0\n4.481720 0.164834 -0.195133\n0.679606 9.905328 1.489181\n-0.741548 -0.197016 11.290828\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.955719 0.389296 0.552358 Mg\n0.041602 0.575981 0.184047 Au\n0.964150 0.003173 0.012147 Au\n0.986925 0.429786 0.808697 Au\n0.973853 0.989896 0.509741 Au\n0.743717 0.855865 0.265747 Se\n0.160132 0.712535 0.912286 Se\n0.768852 0.295872 0.096921 Se\n0.256602 0.115506 0.747978 Se\n0.435108 0.480877 0.569327 Cl\n0.754232 0.497790 0.332901 Cl\n0.201895 0.188344 0.462887 Cl\n0.739537 0.798775 0.548721 Cl\n0.654770 0.945739 0.122759 O\n0.636913 0.325726 0.951623 O\n0.075827 0.754214 0.255855 O\n0.053053 0.155749 0.106110 O\n0.072964 0.401793 0.113867 O\n0.876120 0.840653 0.928147 O\n0.310575 0.647234 0.060781 O\n0.993176 0.262891 0.712474 O\n0.919502 0.983660 0.331164 O\n0.894057 0.609466 0.872545 O\n0.269283 0.063489 0.898417 O\n0.025326 0.000693 0.690120 O\n",
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{
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{
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}