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{
"id": "mp-649676",
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"structure_string": "Ca12 Si12 O36\n1.0\n9.579960 0.000000 0.000000\n0.000000 8.363182 0.000000\n0.000000 2.995949 14.452715\nCa Si O\n12 12 36\ndirect\n0.884571 0.964440 0.190779 Ca\n0.377036 0.354760 0.996367 Ca\n0.375020 0.706383 0.500968 Ca\n0.877036 0.645240 0.503633 Ca\n0.384571 0.035560 0.309221 Ca\n0.615429 0.964440 0.690779 Ca\n0.115429 0.035560 0.809221 Ca\n0.875020 0.293617 0.999032 Ca\n0.122964 0.354760 0.496367 Ca\n0.624980 0.293617 0.499032 Ca\n0.622964 0.645240 0.003633 Ca\n0.124980 0.706383 0.000968 Ca\n0.636735 0.676127 0.638838 Si\n0.134488 0.500133 0.659109 Si\n0.365512 0.500133 0.159109 Si\n0.863265 0.676127 0.138838 Si\n0.128614 0.698488 0.811582 Si\n0.865512 0.499867 0.340891 Si\n0.634488 0.499867 0.840891 Si\n0.371386 0.698488 0.311582 Si\n0.871386 0.301512 0.188418 Si\n0.136735 0.323873 0.861162 Si\n0.363265 0.323873 0.361162 Si\n0.628614 0.301512 0.688418 Si\n0.128389 0.510237 0.884971 O\n0.006956 0.201285 0.163308 O\n0.235170 0.212119 0.408389 O\n0.628389 0.489763 0.615029 O\n0.246413 0.806369 0.345378 O\n0.264830 0.212119 0.908389 O\n0.007372 0.527413 0.394806 O\n0.492628 0.527413 0.894806 O\n0.996124 0.215321 0.889178 O\n0.735170 0.787881 0.091611 O\n0.507372 0.472587 0.105194 O\n0.753587 0.193631 0.654622 O\n0.654694 0.659443 0.752785 O\n0.137507 0.664681 0.705725 O\n0.371611 0.510237 0.384971 O\n0.345306 0.340557 0.247215 O\n0.256631 0.505121 0.581908 O\n0.764830 0.787881 0.591611 O\n0.993044 0.798715 0.836692 O\n0.862493 0.335319 0.294275 O\n0.743369 0.494879 0.418092 O\n0.756631 0.494879 0.918092 O\n0.871611 0.489763 0.115029 O\n0.243369 0.505121 0.081908 O\n0.992628 0.472587 0.605194 O\n0.253587 0.806369 0.845378 O\n0.746413 0.193631 0.154622 O\n0.503876 0.215321 0.389178 O\n0.506956 0.798715 0.336692 O\n0.845306 0.659443 0.252785 O\n0.154694 0.340557 0.747215 O\n0.003876 0.784679 0.110822 O\n0.362493 0.664681 0.205725 O\n0.496124 0.784679 0.610822 O\n0.493044 0.201285 0.663308 O\n0.637507 0.335319 0.794275 O\n",
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{
"id": "mp-1196892",
"created_at": "2022-09-04T14:41:36.854016Z",
"structure_string": "Rb4 Er4 P8 O28\n1.0\n11.016253 0.000000 0.000000\n0.000000 7.798441 0.000000\n0.000000 2.339978 8.433505\nRb Er P O\n4 4 8 28\ndirect\n0.180089 0.309818 0.560700 Rb\n0.680089 0.690182 0.939300 Rb\n0.819911 0.690182 0.439300 Rb\n0.319911 0.309818 0.060700 Rb\n0.097644 0.733868 0.748648 Er\n0.597644 0.266132 0.751352 Er\n0.902356 0.266132 0.251352 Er\n0.402356 0.733868 0.248648 Er\n0.100046 0.630587 0.183738 P\n0.600046 0.369413 0.316262 P\n0.899954 0.369413 0.816262 P\n0.399954 0.630587 0.683738 P\n0.137899 0.937033 0.314425 P\n0.637899 0.062967 0.185575 P\n0.862101 0.062967 0.685575 P\n0.362101 0.937033 0.814425 P\n0.091195 0.643295 0.007988 O\n0.591195 0.356705 0.492012 O\n0.908805 0.356705 0.992012 O\n0.408805 0.643295 0.507988 O\n0.110604 0.832731 0.485088 O\n0.610604 0.167269 0.014912 O\n0.889396 0.167269 0.514912 O\n0.389396 0.832731 0.985088 O\n0.920911 0.878378 0.732804 O\n0.420911 0.121622 0.767196 O\n0.079089 0.121622 0.267196 O\n0.579089 0.878378 0.232804 O\n0.272281 0.577409 0.751642 O\n0.772281 0.422591 0.748358 O\n0.727719 0.422591 0.248358 O\n0.227719 0.577409 0.251642 O\n0.997824 0.491645 0.718450 O\n0.497824 0.508355 0.781550 O\n0.002176 0.508355 0.281550 O\n0.502176 0.491645 0.218450 O\n0.226727 0.948424 0.771819 O\n0.726727 0.051576 0.728181 O\n0.773273 0.051576 0.228181 O\n0.273273 0.948424 0.271819 O\n0.070735 0.829478 0.200913 O\n0.570735 0.170522 0.299087 O\n0.929265 0.170522 0.799087 O\n0.429265 0.829478 0.700913 O\n",
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{
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{
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"created_at": "2022-09-04T14:41:26.952700Z",
"structure_string": "K8 Ru4 N4 Cl20 O4\n1.0\n7.059107 0.000000 0.000000\n0.000000 10.584725 0.000000\n0.000000 0.000000 13.641379\nK Ru N Cl O\n8 4 4 20 4\ndirect\n0.645298 0.249746 0.104375 K\n0.854702 0.750254 0.604375 K\n0.646220 0.750189 0.102756 K\n0.145298 0.250254 0.895625 K\n0.353780 0.250189 0.397244 K\n0.853780 0.249811 0.602756 K\n0.354702 0.749746 0.395625 K\n0.146220 0.749811 0.897244 K\n0.328892 0.998270 0.642048 Ru\n0.671108 0.498270 0.857952 Ru\n0.828892 0.501730 0.357952 Ru\n0.171108 0.001730 0.142048 Ru\n0.988799 0.502682 0.260837 N\n0.511201 0.497318 0.760837 N\n0.011201 0.002682 0.239163 N\n0.488799 0.997318 0.739163 N\n0.910464 0.000622 0.027738 Cl\n0.316493 0.224792 0.636544 Cl\n0.376503 0.001160 0.003485 Cl\n0.317670 0.771596 0.635407 Cl\n0.682330 0.271596 0.864593 Cl\n0.589536 0.999378 0.527738 Cl\n0.623498 0.501160 0.496515 Cl\n0.816493 0.275208 0.363456 Cl\n0.551417 0.502061 0.255082 Cl\n0.876502 0.498840 0.996515 Cl\n0.410464 0.499378 0.972262 Cl\n0.182330 0.228404 0.135407 Cl\n0.448583 0.002061 0.244918 Cl\n0.089536 0.500622 0.472262 Cl\n0.683507 0.724792 0.863456 Cl\n0.183507 0.775208 0.136544 Cl\n0.948583 0.497939 0.755082 Cl\n0.051417 0.997939 0.744918 Cl\n0.123497 0.998840 0.503485 Cl\n0.817670 0.728404 0.364593 Cl\n0.895020 0.003969 0.299890 O\n0.604980 0.996031 0.799890 O\n0.104980 0.503969 0.200110 O\n0.395020 0.496031 0.700110 O\n",
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{
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"structure_string": "Ag4 Mo2 I8 O28\n1.0\n2.912753 6.392361 0.000000\n-2.912753 6.392361 0.000000\n0.000000 2.858717 17.529004\nAg Mo I O\n4 2 8 28\ndirect\n0.670797 0.681986 0.039874 Ag\n0.318014 0.329203 0.460126 Ag\n0.329203 0.318014 0.960126 Ag\n0.681986 0.670797 0.539874 Ag\n0.568718 0.431282 0.250000 Mo\n0.431282 0.568718 0.750000 Mo\n0.857135 0.061292 0.087768 I\n0.938708 0.142865 0.412232 I\n0.142865 0.938708 0.912232 I\n0.061292 0.857135 0.587768 I\n0.201633 0.222122 0.174277 I\n0.777878 0.798367 0.325723 I\n0.798367 0.777878 0.825723 I\n0.222122 0.201633 0.674277 I\n0.583051 0.094605 0.069802 O\n0.905395 0.416949 0.430198 O\n0.416949 0.905395 0.930198 O\n0.094605 0.583051 0.569802 O\n0.652923 0.376620 0.139205 O\n0.623380 0.347077 0.360795 O\n0.347077 0.623380 0.860795 O\n0.376620 0.652923 0.639205 O\n0.847406 0.249693 0.000364 O\n0.750307 0.152594 0.499636 O\n0.152594 0.750307 0.999636 O\n0.249693 0.847406 0.500364 O\n0.215115 0.033865 0.108333 O\n0.966135 0.784885 0.391667 O\n0.784885 0.966135 0.891667 O\n0.033865 0.215115 0.608333 O\n0.974049 0.250296 0.252265 O\n0.749704 0.025951 0.247735 O\n0.025951 0.749704 0.747735 O\n0.250296 0.974049 0.752265 O\n0.995369 0.532846 0.124599 O\n0.467154 0.004631 0.375401 O\n0.004631 0.467154 0.875401 O\n0.532846 0.995369 0.624599 O\n0.273733 0.507110 0.256909 O\n0.492890 0.726267 0.243091 O\n0.726267 0.492890 0.743091 O\n0.507110 0.273733 0.756909 O\n",
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:41:27.080822Z",
"structure_string": "Na2 Sm2 Ti3 O10\n1.0\n-1.918373 1.918373 14.348985\n1.918373 -1.918373 14.348985\n1.918373 1.918373 -14.348985\nNa Sm Ti O\n2 2 3 10\ndirect\n0.712166 0.712166 0.000000 Na\n0.287834 0.287834 0.000000 Na\n0.575383 0.575383 0.000000 Sm\n0.424617 0.424617 0.000000 Sm\n0.853976 0.853976 0.000000 Ti\n0.146024 0.146024 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.369233 0.869233 0.500000 O\n0.869233 0.369233 0.500000 O\n0.630767 0.130767 0.500000 O\n0.130767 0.630767 0.500000 O\n0.792442 0.792442 0.000000 O\n0.207558 0.207558 0.000000 O\n0.500000 0.000000 0.500000 O\n0.067377 0.067377 0.000000 O\n0.932623 0.932623 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Na2 Sm2 Ti3 O10",
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"updated_at": "2021-11-28T01:35:22.886000Z",
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{
"id": "mp-1202235",
"created_at": "2022-09-04T14:41:32.245069Z",
"structure_string": "Ba2 Ti2 Fe4 Si4 O20\n1.0\n6.953901 0.000000 0.000000\n0.000000 5.364168 0.000000\n0.000000 0.894557 11.358752\nBa Ti Fe Si O\n2 2 4 4 20\ndirect\n0.750000 0.224562 0.564857 Ba\n0.250000 0.775438 0.435143 Ba\n0.250000 0.220442 0.660111 Ti\n0.750000 0.779558 0.339889 Ti\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.530158 0.981654 Fe\n0.750000 0.469842 0.018346 Fe\n0.980322 0.705944 0.749976 Si\n0.480322 0.294056 0.250024 Si\n0.019678 0.294056 0.250024 Si\n0.519678 0.705944 0.749976 Si\n0.028859 0.699754 0.893564 O\n0.528859 0.300246 0.106436 O\n0.971141 0.300246 0.106436 O\n0.471141 0.699754 0.893564 O\n0.250000 0.197122 0.934286 O\n0.750000 0.802878 0.065714 O\n0.057975 0.954121 0.674981 O\n0.557975 0.045879 0.325019 O\n0.942025 0.045879 0.325019 O\n0.442025 0.954121 0.674981 O\n0.048089 0.454669 0.693429 O\n0.548089 0.545331 0.306571 O\n0.951911 0.545331 0.306571 O\n0.451911 0.454669 0.693429 O\n0.750000 0.726123 0.741040 O\n0.250000 0.273877 0.258960 O\n0.750000 0.195024 0.922180 O\n0.250000 0.804976 0.077820 O\n0.250000 0.266362 0.508653 O\n0.750000 0.733638 0.491347 O\n",
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],
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"volume": 423.7029542092828,
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"formula_full": "Ba2 Ti2 Fe4 Si4 O20",
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"updated_at": "2021-11-28T01:35:09.159000Z",
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}
]
}