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{
"id": "mp-1080128",
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{
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"spacegroup": 159
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{
"id": "mp-1210463",
"created_at": "2022-09-04T14:39:08.059791Z",
"structure_string": "Na6 Cu2 F12\n1.0\n4.560690 0.000000 -3.161911\n0.000000 5.760849 0.000000\n4.551038 0.000000 6.541608\nNa Cu F\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.014680 0.442243 0.255301 Na\n0.985320 0.557757 0.744699 Na\n0.485320 0.942243 0.244699 Na\n0.514680 0.057757 0.755301 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.164757 0.721450 0.070338 F\n0.835243 0.278550 0.929662 F\n0.335243 0.221450 0.429662 F\n0.664757 0.778550 0.570338 F\n0.883829 0.056504 0.225705 F\n0.116171 0.943496 0.774295 F\n0.616171 0.556504 0.274295 F\n0.383829 0.443496 0.725705 F\n0.285095 0.175599 0.053341 F\n0.714905 0.824401 0.946659 F\n0.214905 0.675599 0.446659 F\n0.785095 0.324401 0.553341 F\n",
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{
"id": "mp-850794",
"created_at": "2022-09-04T14:39:08.765408Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.269477 0.000000 0.000000\n-0.091459 8.300713 0.000000\n-2.498590 -2.319213 8.604866\nLi Mn B O\n4 6 6 18\ndirect\n0.985445 0.369390 0.292369 Li\n0.335645 0.951286 0.357326 Li\n0.659319 0.043313 0.641767 Li\n0.307631 0.700397 0.955972 Li\n0.780893 0.029857 0.205761 Mn\n0.864898 0.629279 0.114287 Mn\n0.554092 0.305197 0.451367 Mn\n0.457638 0.690204 0.555927 Mn\n0.129951 0.357547 0.889223 Mn\n0.199782 0.967977 0.780384 Mn\n0.223467 0.133757 0.103711 B\n0.436494 0.526029 0.229364 B\n0.109183 0.179035 0.553366 B\n0.896502 0.824214 0.443973 B\n0.570333 0.489222 0.783679 B\n0.771780 0.851802 0.889586 B\n0.981450 0.176347 0.117406 O\n0.684951 0.810313 0.007799 O\n0.258014 0.576566 0.111009 O\n0.410013 0.090085 0.224164 O\n0.696159 0.506398 0.231312 O\n0.344138 0.488719 0.347271 O\n0.927697 0.227970 0.435234 O\n0.970089 0.831402 0.309081 O\n0.361540 0.148480 0.546411 O\n0.644627 0.846680 0.453808 O\n0.021927 0.147200 0.676282 O\n0.101768 0.806544 0.570443 O\n0.636395 0.506630 0.652612 O\n0.320782 0.503384 0.796300 O\n0.585904 0.900566 0.772616 O\n0.779520 0.464445 0.907243 O\n0.297291 0.148708 0.970334 O\n0.031520 0.839887 0.890811 O\n",
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"elements": [
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"density": 3.1335149403043365,
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"volume": 376.3804205044783,
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"formula_full": "Li4 Mn6 B6 O18",
"formula_reduced": "Li2Mn3(BO3)3",
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"spacegroup": 1
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{
"id": "mp-1201370",
"created_at": "2022-09-04T14:39:08.794403Z",
"structure_string": "Ni8 P8 O32\n1.0\n7.344024 0.000000 0.000000\n0.000000 9.008804 0.000000\n0.000000 0.000000 9.872689\nNi P O\n8 8 32\ndirect\n0.840936 0.594133 0.592085 Ni\n0.159064 0.405867 0.092085 Ni\n0.840936 0.905867 0.092085 Ni\n0.159064 0.094133 0.592085 Ni\n0.152850 0.404853 0.425501 Ni\n0.847150 0.595147 0.925501 Ni\n0.152850 0.095147 0.925501 Ni\n0.847150 0.904853 0.425501 Ni\n0.258189 0.748824 0.511370 P\n0.741811 0.251176 0.011370 P\n0.258189 0.751176 0.011370 P\n0.741811 0.248824 0.511370 P\n0.837498 0.586634 0.257204 P\n0.162502 0.413366 0.757204 P\n0.837498 0.913366 0.757204 P\n0.162502 0.086634 0.257204 P\n0.614676 0.531132 0.694361 O\n0.385324 0.468868 0.194361 O\n0.614676 0.968868 0.194361 O\n0.385324 0.031132 0.694361 O\n0.383248 0.467931 0.329368 O\n0.616752 0.532069 0.829368 O\n0.383248 0.032069 0.829368 O\n0.616752 0.967931 0.329368 O\n0.140685 0.611547 0.516984 O\n0.859315 0.388453 0.016984 O\n0.140685 0.888453 0.016984 O\n0.859315 0.111547 0.516984 O\n0.456814 0.747004 0.518307 O\n0.543186 0.252996 0.018307 O\n0.456814 0.752996 0.018307 O\n0.543186 0.247004 0.518307 O\n0.853390 0.389022 0.498515 O\n0.146610 0.610978 0.998515 O\n0.853390 0.110978 0.998515 O\n0.146610 0.889022 0.498515 O\n0.819956 0.684197 0.385922 O\n0.180044 0.315803 0.885922 O\n0.819956 0.815803 0.885922 O\n0.180044 0.184197 0.385922 O\n0.823975 0.815686 0.627976 O\n0.176025 0.184314 0.127976 O\n0.823975 0.684314 0.127976 O\n0.176025 0.315686 0.627976 O\n0.982831 0.509445 0.757807 O\n0.017169 0.490555 0.257807 O\n0.982831 0.990555 0.257807 O\n0.017169 0.009445 0.757807 O\n",
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{
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{
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"structure_string": "Pr4 Co6 Ge10\n1.0\n5.988405 5.687472 0.000000\n-5.988405 5.687472 0.000000\n0.000000 2.975659 5.090613\nPr Co Ge\n4 6 10\ndirect\n0.871192 0.598082 0.765226 Pr\n0.401918 0.128808 0.734774 Pr\n0.128808 0.401918 0.234774 Pr\n0.598082 0.871192 0.265226 Pr\n0.260163 0.536077 0.614304 Co\n0.463923 0.739837 0.885696 Co\n0.739837 0.463923 0.385696 Co\n0.536077 0.260163 0.114304 Co\n0.002634 0.997366 0.750000 Co\n0.997365 0.002635 0.250000 Co\n0.067112 0.257547 0.834842 Ge\n0.742453 0.932888 0.665158 Ge\n0.932888 0.742453 0.165158 Ge\n0.257547 0.067112 0.334842 Ge\n0.222771 0.777229 0.750000 Ge\n0.777229 0.222771 0.250000 Ge\n0.505200 0.494800 0.750000 Ge\n0.494800 0.505200 0.250000 Ge\n0.769074 0.230926 0.750000 Ge\n0.230926 0.769074 0.250000 Ge\n",
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{
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{
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"structure_string": "Cr12 Si12 O48\n1.0\n-5.613921 5.613921 5.613921\n5.613921 -5.613921 5.613921\n5.613921 5.613921 -5.613921\nCr Si O\n12 12 48\ndirect\n0.875000 0.750000 0.625000 Cr\n0.875000 0.625000 0.250000 Cr\n0.625000 0.875000 0.750000 Cr\n0.250000 0.875000 0.625000 Cr\n0.750000 0.625000 0.875000 Cr\n0.625000 0.250000 0.875000 Cr\n0.125000 0.250000 0.375000 Cr\n0.125000 0.375000 0.750000 Cr\n0.375000 0.125000 0.250000 Cr\n0.750000 0.125000 0.375000 Cr\n0.250000 0.375000 0.125000 Cr\n0.375000 0.750000 0.125000 Cr\n0.125000 0.750000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.592280 0.903525 0.368111 O\n0.368111 0.592280 0.903525 O\n0.275831 0.311245 0.907720 O\n0.464586 0.596475 0.188755 O\n0.311245 0.903525 0.035414 O\n0.131889 0.035414 0.224169 O\n0.368111 0.275831 0.464586 O\n0.903525 0.368111 0.592280 O\n0.188755 0.224169 0.592280 O\n0.464586 0.368111 0.275831 O\n0.903525 0.035414 0.311245 O\n0.596475 0.907720 0.131889 O\n0.907720 0.131889 0.596475 O\n0.275831 0.464586 0.368111 O\n0.592280 0.188755 0.224169 O\n0.224169 0.592280 0.188755 O\n0.035414 0.311245 0.903525 O\n0.907720 0.275831 0.311245 O\n0.035414 0.224169 0.131889 O\n0.811245 0.775831 0.407720 O\n0.311245 0.907720 0.275831 O\n0.596475 0.188755 0.464586 O\n0.224169 0.131889 0.035414 O\n0.131889 0.596475 0.907720 O\n0.407720 0.096475 0.631889 O\n0.631889 0.407720 0.096475 O\n0.724169 0.688755 0.092280 O\n0.535414 0.403525 0.811245 O\n0.688755 0.096475 0.964586 O\n0.868111 0.964586 0.775831 O\n0.631889 0.724169 0.535414 O\n0.096475 0.631889 0.407720 O\n0.868111 0.403525 0.092280 O\n0.775831 0.868111 0.964586 O\n0.403525 0.811245 0.535414 O\n0.688755 0.092280 0.724169 O\n0.811245 0.535414 0.403525 O\n0.964586 0.775831 0.868111 O\n0.092280 0.724169 0.688755 O\n0.964586 0.688755 0.096475 O\n0.775831 0.407720 0.811245 O\n0.407720 0.811245 0.775831 O\n0.724169 0.535414 0.631889 O\n0.092280 0.868111 0.403525 O\n0.403525 0.092280 0.868111 O\n0.096475 0.964586 0.688755 O\n0.535414 0.631889 0.724169 O\n0.188755 0.464586 0.596475 O\n",
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{
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"structure_string": "Li1 Ca3 Fe5 Sn3 O16\n1.0\n9.449786 0.011897 0.000000\n0.014083 11.047462 0.000000\n0.000000 0.000000 3.129838\nLi Ca Fe Sn O\n1 3 5 3 16\ndirect\n0.229620 0.357503 0.750000 Li\n0.260787 0.851200 0.250000 Ca\n0.738939 0.147028 0.750000 Ca\n0.747220 0.660582 0.250000 Ca\n0.427639 0.100982 0.250000 Fe\n0.432549 0.617901 0.250000 Fe\n0.585218 0.891030 0.750000 Fe\n0.919185 0.392576 0.250000 Fe\n0.926059 0.884684 0.250000 Fe\n0.072403 0.111563 0.750000 Sn\n0.088242 0.601996 0.750000 Sn\n0.554567 0.388864 0.750000 Sn\n0.020371 0.710827 0.250000 O\n0.090946 0.928642 0.750000 O\n0.121491 0.470478 0.250000 O\n0.210666 0.160780 0.250000 O\n0.284328 0.677986 0.750000 O\n0.385824 0.982767 0.750000 O\n0.412699 0.423604 0.250000 O\n0.487588 0.210076 0.750000 O\n0.521453 0.790659 0.250000 O\n0.592483 0.569100 0.750000 O\n0.623646 0.024813 0.250000 O\n0.706770 0.334458 0.250000 O\n0.781591 0.826681 0.750000 O\n0.885539 0.517581 0.750000 O\n0.918565 0.080569 0.250000 O\n0.973609 0.285069 0.750000 O\n",
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