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{
"id": "jvasp-107009",
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"structure_string": "Sr2 Sm1 U1 O6\n1.0\n5.381931 -0.000000 3.107259\n1.793977 5.074133 3.107259\n-0.000000 -0.000000 6.214519\nSr Sm U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 U\n0.757391 0.242608 0.242609 O\n0.242609 0.757391 0.757392 O\n0.242609 0.757391 0.242609 O\n0.757391 0.242608 0.757392 O\n0.242609 0.242608 0.757392 O\n0.757392 0.757391 0.242609 O\n",
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{
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"structure_string": "Sr2 Sm1 Ta1 Cu2 O8\n1.0\n3.934879 -0.000000 0.000000\n-0.000000 3.934879 -0.000000\n-0.000000 -0.000000 11.653601\nSr Sm Ta Cu O\n2 1 1 2 8\ndirect\n0.500000 0.500000 0.799512 Sr\n0.500000 0.500000 0.200488 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.640322 Cu\n0.000000 0.000000 0.359678 Cu\n0.500000 0.000000 0.628689 O\n0.000000 0.500000 0.628689 O\n0.500000 0.000000 0.371311 O\n0.000000 0.500000 0.371311 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.169713 O\n0.000000 0.000000 0.830287 O\n",
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{
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"structure_string": "Sr2 Sm1 Cu3 Pb2 O8\n1.0\n3.844858 0.000000 -0.000000\n-0.000000 3.844858 0.000000\n-0.000000 0.000000 15.976977\nSr Sm Cu Pb O\n2 1 3 2 8\ndirect\n0.000000 0.000000 0.778486 Sr\n0.000000 0.000000 0.221514 Sr\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.893164 Cu\n0.500000 0.500000 0.106836 Cu\n0.500000 0.500000 0.387390 Pb\n0.500000 0.500000 0.612610 Pb\n0.000000 0.500000 0.905031 O\n0.500000 0.000000 0.094969 O\n0.000000 0.500000 0.094969 O\n0.500000 0.000000 0.905031 O\n0.000000 0.000000 0.383571 O\n0.500000 0.500000 0.748878 O\n0.500000 0.500000 0.251122 O\n0.000000 0.000000 0.616429 O\n",
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"density": 7.44285207505283,
"density_atomic": 0.06774305263400501,
"volume": 236.1865811752403,
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"formula_full": "Sr2 Sm1 Cu3 Pb2 O8",
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{
"id": "jvasp-19948",
"created_at": "2022-09-04T14:37:42.394691Z",
"updated_at": "2022-09-04T14:37:42.394718Z",
"structure_string": "Sr2 Si4\n1.0\n4.275908 0.000000 -1.312252\n-0.402723 4.256900 -1.312252\n0.006130 0.006737 7.642516\nSr Si\n2 4\ndirect\n0.625001 0.875000 0.750001 Sr\n0.375000 0.125000 0.250000 Sr\n0.209259 0.459260 0.918518 Si\n0.959260 0.709259 0.418518 Si\n0.040741 0.290741 0.581484 Si\n0.790742 0.540741 0.081484 Si\n",
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"formula_full": "Sr2 Si4",
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{
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"created_at": "2022-09-04T14:35:55.956635Z",
"updated_at": "2022-09-04T14:35:55.956667Z",
"structure_string": "Sr2 Si2\n1.0\n4.059684 0.000000 -0.000000\n0.000000 4.431249 -1.886319\n-0.000000 0.002976 6.154986\nSr Si\n2 2\ndirect\n0.250000 0.639426 0.278850 Sr\n0.749999 0.360575 0.721151 Sr\n0.250000 0.934424 0.868847 Si\n0.749999 0.065577 0.131154 Si\n",
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{
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"structure_string": "Sr2 Si14 N20\n1.0\n6.775197 0.000000 0.000000\n0.000000 6.617117 -1.910175\n0.000000 -0.007902 9.685051\nSr Si N\n2 14 20\ndirect\n0.947620 0.050361 0.336392 Sr\n0.052381 0.050362 0.836392 Sr\n0.973245 0.647391 0.983901 Si\n0.376072 0.149803 0.190068 Si\n0.973882 0.460103 0.671894 Si\n0.629637 0.515433 0.312154 Si\n0.364849 0.333683 0.506465 Si\n0.619379 0.703479 0.616071 Si\n0.605290 0.891070 0.926158 Si\n0.370363 0.515434 0.812154 Si\n0.623928 0.149803 0.690068 Si\n0.026756 0.647391 0.483901 Si\n0.380622 0.703479 0.116071 Si\n0.394711 0.891070 0.426158 Si\n0.026119 0.460102 0.171894 Si\n0.635151 0.333683 0.006465 Si\n0.501605 0.712827 0.775619 N\n0.415523 0.295527 0.675008 N\n0.538302 0.500871 0.476013 N\n0.117216 0.554033 0.827811 N\n0.870432 0.681253 0.635899 N\n0.882784 0.554033 0.327811 N\n0.835168 0.846680 0.979329 N\n0.617600 0.112018 0.866379 N\n0.844835 0.250983 0.668218 N\n0.129569 0.681253 0.135899 N\n0.584478 0.295527 0.175008 N\n0.498395 0.712827 0.275619 N\n0.155165 0.250983 0.168218 N\n0.422028 0.920274 0.060895 N\n0.868678 0.431917 0.022423 N\n0.382400 0.112018 0.366379 N\n0.461699 0.500871 0.976013 N\n0.164833 0.846680 0.479329 N\n0.577973 0.920274 0.560895 N\n0.131322 0.431917 0.522423 N\n",
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"density_atomic": 0.08293009204279947,
"volume": 434.10056727563654,
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"formula_full": "Sr2 Si14 N20",
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{
"id": "jvasp-9404",
"created_at": "2022-09-04T14:37:07.072475Z",
"updated_at": "2022-09-04T14:37:07.072498Z",
"structure_string": "Sr2 Se2 O6\n1.0\n0.000000 4.464303 -0.038908\n5.520151 0.000000 0.000000\n0.000000 -2.030384 -6.269843\nSr Se O\n2 2 6\ndirect\n0.656682 0.750000 0.302828 Sr\n0.343318 0.250000 0.697172 Sr\n0.935157 0.750000 0.845065 Se\n0.064843 0.250000 0.154935 Se\n0.175953 0.008825 0.329000 O\n0.824047 0.508825 0.671000 O\n0.824047 0.991174 0.671000 O\n0.175953 0.491174 0.329000 O\n0.663141 0.250000 0.107068 O\n0.336859 0.750000 0.892932 O\n",
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"volume": 154.94775205599888,
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"formula_full": "Sr2 Se2 O6",
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{
"id": "jvasp-50916",
"created_at": "2022-09-04T14:36:33.220109Z",
"updated_at": "2022-09-04T14:36:33.220132Z",
"structure_string": "Sr2 Sc4 O8\n1.0\n-3.287198 3.287198 4.648987\n3.287198 -3.287198 4.648987\n3.287198 3.287198 -4.648987\nSr Sc O\n2 4 8\ndirect\n0.375000 0.125000 0.250000 Sr\n0.625000 0.875001 0.750001 Sr\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.770017 0.310078 0.040035 O\n0.810078 0.270043 0.540061 O\n0.229982 0.270017 0.959940 O\n0.229957 0.270018 0.540036 O\n0.770043 0.729983 0.459965 O\n0.770018 0.729984 0.040061 O\n0.189923 0.729957 0.459940 O\n0.229984 0.689923 0.959965 O\n",
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{
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"created_at": "2022-09-04T14:37:14.478333Z",
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"structure_string": "Sr2 Sc4 O8\n1.0\n1.597241 5.244009 -0.000000\n-1.597241 5.244009 -0.000000\n0.000000 0.000000 10.646230\nSr Sc O\n2 4 8\ndirect\n0.111852 0.111852 0.250000 Sr\n0.888148 0.888148 0.750000 Sr\n0.365122 0.365122 0.429509 Sc\n0.634878 0.634878 0.570491 Sc\n0.365122 0.365122 0.070491 Sc\n0.634878 0.634878 0.929509 Sc\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.262980 0.262980 0.604865 O\n0.435441 0.435441 0.250000 O\n0.564559 0.564559 0.750000 O\n0.737021 0.737021 0.395135 O\n0.262980 0.262980 0.895135 O\n0.737021 0.737021 0.104865 O\n",
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{
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"created_at": "2022-09-04T14:35:45.025281Z",
"updated_at": "2022-09-04T14:35:45.025307Z",
"structure_string": "Sr2 Sc2 B4 O11\n1.0\n5.114013 0.007506 0.055097\n1.594798 5.973182 1.327391\n-0.011479 0.034242 7.290310\nSr Sc B O\n2 2 4 11\ndirect\n0.774906 0.805763 0.836242 Sr\n0.225093 0.194236 0.163758 Sr\n0.813594 0.718208 0.352222 Sc\n0.186406 0.281792 0.647779 Sc\n0.277944 0.779573 0.608064 B\n0.647968 0.343096 0.898870 B\n0.352032 0.656904 0.101130 B\n0.722056 0.220427 0.391936 B\n0.910690 0.341899 0.867206 O\n0.175485 0.946857 0.706095 O\n0.889806 0.355758 0.420497 O\n0.489705 0.796203 0.151186 O\n0.089310 0.658100 0.132794 O\n0.538393 0.743540 0.555553 O\n0.461607 0.256460 0.444447 O\n0.824515 0.053143 0.293906 O\n0.110193 0.644242 0.579504 O\n0.500000 0.500000 0.000000 O\n0.510294 0.203797 0.848814 O\n",
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{
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"structure_string": "Sr2 Sc1 Os1 O6\n1.0\n4.933932 0.000000 2.848608\n1.644644 4.651756 2.848608\n-0.000000 -0.000000 5.697214\nSr Sc Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.499999 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Os\n0.756197 0.243802 0.243802 O\n0.243801 0.756199 0.756198 O\n0.243801 0.756199 0.243802 O\n0.756197 0.243802 0.756198 O\n0.243802 0.243802 0.756198 O\n0.756197 0.756199 0.243803 O\n",
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{
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"structure_string": "Sr2 Sc1 Bi1 O6\n1.0\n5.092049 -0.000000 2.939896\n1.697350 4.800830 2.939896\n-0.000000 -0.000000 5.879791\nSr Sc Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Sc\n0.000000 0.000000 0.000000 Bi\n0.748042 0.251958 0.251959 O\n0.251958 0.748042 0.748042 O\n0.251958 0.748042 0.251959 O\n0.748042 0.251958 0.748042 O\n0.251958 0.251958 0.748042 O\n0.748042 0.748042 0.251959 O\n",
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}