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{
"id": "mp-1217905",
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{
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{
"id": "mp-1219576",
"created_at": "2022-09-04T14:46:41.822321Z",
"structure_string": "Rb2 Nb2 Te2 O12\n1.0\n-3.657956 3.720768 5.226240\n3.657956 -3.720768 5.226240\n3.657956 3.720768 -5.226240\nRb Nb Te O\n2 2 2 12\ndirect\n0.624565 0.874565 0.750000 Rb\n0.375435 0.125435 0.250000 Rb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.072320 0.822320 0.250000 O\n0.686557 0.436557 0.250000 O\n0.064754 0.823923 0.633030 O\n0.690893 0.431724 0.866970 O\n0.690893 0.823923 0.259170 O\n0.064754 0.431724 0.240830 O\n0.927680 0.177680 0.750000 O\n0.313443 0.563443 0.750000 O\n0.935246 0.176077 0.366970 O\n0.309107 0.568276 0.133030 O\n0.309107 0.176077 0.740830 O\n0.935246 0.568276 0.759170 O\n",
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"formula_full": "Rb2 Nb2 Te2 O12",
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{
"id": "mp-1246858",
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"structure_string": "Ni4 Ge8 N8\n1.0\n6.720475 0.000000 0.000000\n0.000000 3.069566 0.000000\n0.000000 0.000000 12.025863\nNi Ge N\n4 8 8\ndirect\n0.778407 0.250000 0.373188 Ni\n0.278407 0.250000 0.126812 Ni\n0.221593 0.750000 0.626812 Ni\n0.721593 0.750000 0.873188 Ni\n0.631488 0.250000 0.095045 Ge\n0.131488 0.250000 0.404955 Ge\n0.368512 0.750000 0.904955 Ge\n0.868512 0.750000 0.595045 Ge\n0.014066 0.250000 0.849081 Ge\n0.514066 0.250000 0.650919 Ge\n0.985934 0.750000 0.150919 Ge\n0.485934 0.750000 0.349081 Ge\n0.727132 0.250000 0.532314 N\n0.227132 0.250000 0.967686 N\n0.272868 0.750000 0.467686 N\n0.772868 0.750000 0.032314 N\n0.832879 0.250000 0.217375 N\n0.332879 0.250000 0.282625 N\n0.167121 0.750000 0.782625 N\n0.667121 0.750000 0.717375 N\n",
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"elements": [
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"formula_full": "Ni4 Ge8 N8",
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{
"id": "mp-763517",
"created_at": "2022-09-04T14:46:42.013873Z",
"structure_string": "Li4 Ti3 Co3 Ni2 O16\n1.0\n2.905953 4.978558 0.000000\n-2.905953 4.978558 0.000000\n0.000000 0.032076 9.645031\nLi Ti Co Ni O\n4 3 3 2 16\ndirect\n0.326066 0.326066 0.890231 Li\n0.013864 0.013864 0.996008 Li\n0.010912 0.010912 0.499173 Li\n0.659111 0.659111 0.396813 Li\n0.166107 0.659073 0.215261 Ti\n0.659073 0.166107 0.215261 Ti\n0.827741 0.827741 0.714606 Ti\n0.169232 0.169232 0.212967 Co\n0.336279 0.829357 0.713679 Co\n0.829357 0.336279 0.713679 Co\n0.334929 0.334929 0.491406 Ni\n0.667306 0.667306 0.986696 Ni\n0.164166 0.683324 0.605892 O\n0.480080 0.480080 0.332145 O\n0.334574 0.334574 0.100411 O\n0.003957 0.003957 0.313808 O\n0.003107 0.003107 0.811398 O\n0.683324 0.164166 0.605892 O\n0.030923 0.473513 0.332782 O\n0.473513 0.030923 0.332782 O\n0.840961 0.840961 0.101851 O\n0.161203 0.161203 0.616075 O\n0.508923 0.961404 0.832267 O\n0.961404 0.508923 0.832267 O\n0.662440 0.662440 0.605290 O\n0.322662 0.849965 0.108762 O\n0.515321 0.515321 0.822051 O\n0.849965 0.322662 0.108762 O\n",
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{
"id": "mp-974455",
"created_at": "2022-09-04T14:46:42.112650Z",
"structure_string": "Re3 Ru1\n1.0\n-1.383124 2.412899 4.440174\n1.383124 -2.412899 4.440174\n1.383124 2.412899 -4.440174\nRe Ru\n3 1\ndirect\n0.827707 0.500000 0.327707 Re\n0.253493 0.251617 0.001875 Re\n0.750258 0.748383 0.001875 Re\n0.335141 0.000000 0.335141 Ru\n",
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{
"id": "mp-1214355",
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"structure_string": "Ca2 Si16 O32\n1.0\n14.067002 0.000000 0.000000\n0.000000 6.754157 0.000000\n0.000000 3.623870 9.430073\nCa Si O\n2 16 32\ndirect\n0.722254 0.509269 0.637141 Ca\n0.277746 0.509269 0.137141 Ca\n0.648663 0.825754 0.053075 Si\n0.351337 0.825754 0.553075 Si\n0.872591 0.824253 0.090464 Si\n0.127409 0.824253 0.590464 Si\n0.627902 0.875068 0.352392 Si\n0.372098 0.875068 0.852392 Si\n0.471230 0.191687 0.353868 Si\n0.528770 0.191687 0.853868 Si\n0.504202 0.486156 0.039175 Si\n0.495798 0.486156 0.539175 Si\n0.996440 0.212632 0.416820 Si\n0.003560 0.212632 0.916820 Si\n0.973176 0.500463 0.602714 Si\n0.026824 0.500463 0.102714 Si\n0.854606 0.872644 0.391433 Si\n0.145394 0.872644 0.891433 Si\n0.885841 0.676404 0.540315 O\n0.114159 0.676404 0.040315 O\n0.920801 0.039969 0.983767 O\n0.079199 0.039969 0.483767 O\n0.901191 0.097268 0.383307 O\n0.098809 0.097268 0.883307 O\n0.617140 0.881935 0.191690 O\n0.382860 0.881935 0.691690 O\n0.884745 0.817377 0.253502 O\n0.115255 0.817377 0.753502 O\n0.388641 0.012651 0.408873 O\n0.611359 0.012651 0.908873 O\n0.449742 0.338885 0.187000 O\n0.550258 0.338885 0.687000 O\n0.924938 0.620738 0.071771 O\n0.075062 0.620738 0.571771 O\n0.582986 0.654120 0.466843 O\n0.417014 0.654120 0.966843 O\n0.575203 0.080462 0.365806 O\n0.424797 0.080462 0.865806 O\n0.738094 0.869744 0.407520 O\n0.261906 0.869744 0.907520 O\n0.959387 0.389554 0.773450 O\n0.040613 0.389554 0.273450 O\n0.470299 0.344725 0.445525 O\n0.529701 0.344725 0.945525 O\n0.600031 0.598470 0.067388 O\n0.399969 0.598470 0.567388 O\n0.967095 0.324906 0.528489 O\n0.032905 0.324906 0.028489 O\n0.762589 0.812868 0.048674 O\n0.237411 0.812868 0.548674 O\n",
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"formula_full": "Ca2 Si16 O32",
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{
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"structure_string": "Sr2 Mg12 Sb2\n1.0\n5.429959 0.000000 0.000000\n0.000000 6.450936 0.000000\n0.000000 0.000000 11.953362\nSr Mg Sb\n2 12 2\ndirect\n0.500000 0.500000 0.670799 Sr\n0.500000 0.000000 0.170799 Sr\n0.500000 0.748410 0.918785 Mg\n0.500000 0.251590 0.918785 Mg\n0.000000 0.241624 0.575777 Mg\n0.000000 0.758376 0.575777 Mg\n0.000000 0.500000 0.843097 Mg\n0.000000 0.000000 0.835654 Mg\n0.500000 0.248410 0.418785 Mg\n0.500000 0.751590 0.418785 Mg\n0.000000 0.741624 0.075777 Mg\n0.000000 0.258376 0.075777 Mg\n0.000000 0.000000 0.343097 Mg\n0.000000 0.500000 0.335654 Mg\n0.500000 0.000000 0.661321 Sb\n0.500000 0.500000 0.161321 Sb\n",
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{
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"structure_string": "Ti1 Fe4 O8\n1.0\n2.945407 5.021464 0.000000\n-2.945407 5.021464 0.000000\n0.000000 3.243964 4.794588\nTi Fe O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ti\n0.116143 0.116143 0.145295 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.883857 0.883857 0.854705 Fe\n0.245177 0.722285 0.281161 O\n0.722285 0.245177 0.281161 O\n0.242269 0.242269 0.292247 O\n0.258237 0.258237 0.731640 O\n0.741763 0.741763 0.268360 O\n0.757731 0.757731 0.707753 O\n0.277715 0.754823 0.718839 O\n0.754823 0.277715 0.718839 O\n",
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{
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},
{
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"formula_full": "Ti4 N8 F20",
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"updated_at": "2021-11-28T01:37:43.706000Z",
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}
]
}