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{
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"results": [
{
"id": "mp-1198357",
"created_at": "2022-09-04T14:39:12.860021Z",
"structure_string": "Ba6 Mo4 I4 O36\n1.0\n0.000000 0.000000 5.054749\n6.941199 0.000000 2.527374\n0.000000 22.765099 2.527374\nBa Mo I O\n6 4 4 36\ndirect\n0.473884 0.000000 0.000000 Ba\n0.223884 0.500000 0.500000 Ba\n0.718146 0.787053 0.192245 Ba\n0.697443 0.212947 0.807755 Ba\n0.255198 0.712947 0.692245 Ba\n0.660391 0.287053 0.307755 Ba\n0.571281 0.408138 0.095057 Mo\n0.074476 0.591862 0.904943 Mo\n0.729419 0.091862 0.595057 Mo\n0.416338 0.908138 0.404943 Mo\n0.134509 0.219695 0.161248 I\n0.515452 0.780305 0.838752 I\n0.104204 0.280305 0.661248 I\n0.045758 0.719695 0.338752 I\n0.568161 0.646705 0.095382 O\n0.310248 0.353295 0.904618 O\n0.964865 0.853295 0.595382 O\n0.413543 0.146705 0.404618 O\n0.504918 0.371947 0.024593 O\n0.901458 0.628053 0.975407 O\n0.626865 0.128053 0.524593 O\n0.279511 0.871947 0.475407 O\n0.502545 0.124801 0.120446 O\n0.747792 0.875199 0.879554 O\n0.377346 0.375199 0.620446 O\n0.372991 0.624801 0.379554 O\n0.199043 0.468237 0.144285 O\n0.811565 0.531763 0.855715 O\n0.417280 0.031763 0.644285 O\n0.093329 0.968237 0.355715 O\n0.979421 0.247917 0.083629 O\n0.310968 0.752083 0.916371 O\n0.977339 0.252083 0.583629 O\n0.813050 0.747917 0.416371 O\n0.107123 0.976449 0.168832 O\n0.252403 0.023551 0.831168 O\n0.833571 0.523551 0.668832 O\n0.025955 0.476449 0.331168 O\n0.249726 0.198907 0.235606 O\n0.684239 0.801093 0.764394 O\n0.198633 0.301093 0.735606 O\n0.235332 0.698907 0.264394 O\n0.997855 0.917804 0.040475 O\n0.956134 0.082196 0.959525 O\n0.665659 0.582196 0.540475 O\n0.788330 0.417804 0.459525 O\n0.753009 0.368766 0.185805 O\n0.307581 0.631234 0.814195 O\n0.871775 0.131234 0.685805 O\n0.688814 0.868766 0.314195 O\n",
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},
{
"id": "mp-1226591",
"created_at": "2022-09-04T14:39:14.607074Z",
"structure_string": "Ce1 U1 Zn17\n1.0\n5.140172 -4.492202 0.000000\n5.140172 4.492202 0.000000\n1.214256 0.000000 6.717650\nCe U Zn\n1 1 17\ndirect\n0.664382 0.664382 0.664382 Ce\n0.334912 0.334912 0.334912 U\n0.702238 0.296805 0.000979 Zn\n0.000979 0.702238 0.296805 Zn\n0.296805 0.000979 0.702238 Zn\n0.000979 0.296805 0.702238 Zn\n0.702238 0.000979 0.296805 Zn\n0.296805 0.702238 0.000979 Zn\n0.351166 0.840721 0.351166 Zn\n0.351166 0.351166 0.840721 Zn\n0.840721 0.351166 0.351166 Zn\n0.646706 0.161288 0.646706 Zn\n0.646706 0.646706 0.161288 Zn\n0.161288 0.646706 0.646706 Zn\n0.000914 0.000914 0.499211 Zn\n0.499211 0.000914 0.000914 Zn\n0.000914 0.499211 0.000914 Zn\n0.899567 0.899567 0.899567 Zn\n0.102303 0.102303 0.102303 Zn\n",
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"elements": [
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"U",
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],
"chemical_system": "Ce-U-Zn",
"density": 7.975898273975551,
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"volume": 310.2303599693072,
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"formula_full": "Ce1 U1 Zn17",
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},
{
"id": "mp-728690",
"created_at": "2022-09-04T14:39:14.613480Z",
"structure_string": "Si32 B4 N4 O72\n1.0\n13.190895 0.000000 0.000000\n0.000000 12.489854 0.000000\n0.000000 5.244205 12.069918\nSi B N O\n32 4 4 72\ndirect\n0.622769 0.112479 0.205892 Si\n0.122769 0.887521 0.294108 Si\n0.377231 0.887521 0.794108 Si\n0.877231 0.112479 0.705892 Si\n0.623429 0.316303 0.429780 Si\n0.123429 0.683697 0.070220 Si\n0.376571 0.683697 0.570220 Si\n0.876571 0.316303 0.929780 Si\n0.692817 0.060991 0.580833 Si\n0.192817 0.939009 0.919167 Si\n0.307183 0.939009 0.419167 Si\n0.807183 0.060991 0.080833 Si\n0.754188 0.490099 0.502596 Si\n0.254188 0.509901 0.997404 Si\n0.245812 0.509901 0.497404 Si\n0.745812 0.490099 0.002596 Si\n0.394480 0.089487 0.198491 Si\n0.894480 0.910513 0.301509 Si\n0.605520 0.910513 0.801509 Si\n0.105520 0.089487 0.698491 Si\n0.384249 0.336673 0.203593 Si\n0.884249 0.663327 0.296407 Si\n0.615751 0.663327 0.796407 Si\n0.115751 0.336673 0.703593 Si\n0.383638 0.326351 0.448743 Si\n0.883638 0.673649 0.051257 Si\n0.616362 0.673649 0.551257 Si\n0.116362 0.326351 0.948743 Si\n0.294668 0.073987 0.570400 Si\n0.794668 0.926013 0.929600 Si\n0.705332 0.926013 0.429600 Si\n0.205332 0.073987 0.070400 Si\n0.612951 0.353808 0.192744 B\n0.112951 0.646192 0.307256 B\n0.387049 0.646192 0.807256 B\n0.887049 0.353808 0.692744 B\n0.479914 0.263845 0.836171 N\n0.979914 0.736155 0.663829 N\n0.520086 0.736155 0.163829 N\n0.020086 0.263845 0.336171 N\n0.633082 0.016135 0.333162 O\n0.133082 0.983865 0.166838 O\n0.366918 0.983865 0.666838 O\n0.866918 0.016135 0.833162 O\n0.510697 0.105117 0.156960 O\n0.010697 0.894883 0.343040 O\n0.489303 0.894883 0.843040 O\n0.989303 0.105117 0.656960 O\n0.697837 0.077377 0.127100 O\n0.197837 0.922623 0.372900 O\n0.302163 0.922623 0.872900 O\n0.802163 0.077377 0.627100 O\n0.649104 0.240784 0.200695 O\n0.149104 0.759216 0.299305 O\n0.350896 0.759216 0.799305 O\n0.850896 0.240784 0.700695 O\n0.632443 0.370807 0.295371 O\n0.132443 0.629193 0.204629 O\n0.367557 0.629193 0.704629 O\n0.867557 0.370807 0.795371 O\n0.664585 0.446208 0.102250 O\n0.164585 0.553792 0.397750 O\n0.335415 0.553792 0.897750 O\n0.835415 0.446208 0.602250 O\n0.502817 0.366623 0.174664 O\n0.002817 0.633377 0.325336 O\n0.497183 0.633377 0.825336 O\n0.997183 0.366623 0.674664 O\n0.505974 0.324465 0.465201 O\n0.005974 0.675535 0.034799 O\n0.494026 0.675535 0.534799 O\n0.994026 0.324465 0.965201 O\n0.697441 0.385444 0.481083 O\n0.197441 0.614556 0.018917 O\n0.302559 0.614556 0.518917 O\n0.802559 0.385444 0.981083 O\n0.656408 0.179446 0.480583 O\n0.156408 0.820554 0.019417 O\n0.343592 0.820554 0.519417 O\n0.843592 0.179446 0.980583 O\n0.700228 0.955577 0.538398 O\n0.200228 0.044423 0.961602 O\n0.299772 0.044423 0.461602 O\n0.799772 0.955577 0.038398 O\n0.611264 0.021219 0.682154 O\n0.111264 0.978781 0.817846 O\n0.388736 0.978781 0.317846 O\n0.888736 0.021219 0.182154 O\n0.814424 0.568128 0.389644 O\n0.314424 0.431872 0.110356 O\n0.185576 0.431872 0.610356 O\n0.685576 0.568128 0.889644 O\n0.664735 0.565543 0.529387 O\n0.164735 0.434457 0.970613 O\n0.335265 0.434457 0.470613 O\n0.835265 0.565543 0.029387 O\n0.354797 0.208267 0.208142 O\n0.854797 0.791733 0.291858 O\n0.645203 0.791733 0.791858 O\n0.145203 0.208267 0.708142 O\n0.322993 0.063822 0.110109 O\n0.822993 0.936178 0.389891 O\n0.677007 0.936178 0.889891 O\n0.177007 0.063822 0.610109 O\n0.358147 0.339338 0.323457 O\n0.858147 0.660662 0.176543 O\n0.641853 0.660662 0.676543 O\n0.141853 0.339338 0.823457 O\n0.335674 0.206008 0.538820 O\n0.835674 0.793992 0.961180 O\n0.664326 0.793992 0.461180 O\n0.164326 0.206008 0.038820 O\n",
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"N",
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],
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"volume": 1988.547387146593,
"volume_molar": 10.69224310118482,
"formula_full": "Si32 B4 N4 O72",
"formula_reduced": "Si8BNO18",
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"energy": -904.21412864,
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"updated_at": "2021-11-28T01:34:45.117000Z",
"spacegroup": 14
},
{
"id": "mp-10455",
"created_at": "2022-09-04T14:39:14.615629Z",
"structure_string": "Y2 Ti2 Ge2\n1.0\n-2.030205 2.030205 7.737273\n2.030205 -2.030205 7.737273\n2.030205 2.030205 -7.737273\nY Ti Ge\n2 2 2\ndirect\n0.674139 0.674139 0.000000 Y\n0.325861 0.325861 0.000000 Y\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.122421 0.122421 0.000000 Ge\n0.877579 0.877579 0.000000 Ge\n",
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{
"id": "mp-1073586",
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"structure_string": "Mg4 Si8\n1.0\n1.947836 4.606541 0.000000\n-1.947836 4.606541 0.000000\n0.000000 3.341550 11.017901\nMg Si\n4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.824787 0.824787 0.675733 Mg\n0.500000 0.500000 0.000000 Mg\n0.175213 0.175213 0.324267 Mg\n0.493786 0.493786 0.760834 Si\n0.175408 0.175408 0.577028 Si\n0.506214 0.506214 0.239166 Si\n0.168546 0.168546 0.084586 Si\n0.824592 0.824592 0.422972 Si\n0.155839 0.155839 0.834136 Si\n0.831454 0.831454 0.915414 Si\n0.844161 0.844161 0.165864 Si\n",
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{
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"structure_string": "Ce6 Hf2 Sb10\n1.0\n4.724620 -8.183281 0.000000\n4.724620 8.183281 0.000000\n0.000000 0.000000 6.314119\nCe Hf Sb\n6 2 10\ndirect\n0.618165 0.000000 0.250000 Ce\n0.381835 0.000000 0.750000 Ce\n0.000000 0.618165 0.250000 Ce\n0.000000 0.381835 0.750000 Ce\n0.381835 0.381835 0.250000 Ce\n0.618165 0.618165 0.750000 Ce\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.266688 0.000000 0.250000 Sb\n0.733312 0.000000 0.750000 Sb\n0.000000 0.266688 0.250000 Sb\n0.000000 0.733312 0.750000 Sb\n0.733312 0.733312 0.250000 Sb\n0.266688 0.266688 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n",
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{
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"structure_string": "Mn1 Sb1\n1.0\n0.000000 2.795016 2.795016\n2.795016 0.000000 2.795016\n2.795016 2.795016 0.000000\nMn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n",
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{
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{
"id": "mp-1096673",
"created_at": "2022-09-04T14:39:14.670920Z",
"structure_string": "Mn1 Cd1 Rh2\n1.0\n-4.840659 5.462362 7.951708\n4.840659 -5.462362 7.951708\n4.840659 5.462362 -7.951708\nMn Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.213124 0.213124 Rh\n0.000000 0.786876 0.786876 Rh\n",
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