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{
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"results": [
{
"id": "mp-1229227",
"created_at": "2022-09-04T14:41:15.008408Z",
"structure_string": "Ba14 U2 V4 S25 O1\n1.0\n-8.167730 8.167730 4.824596\n8.167730 -8.167730 4.824596\n8.167730 8.167730 -4.824596\nBa U V S O\n14 2 4 25 1\ndirect\n0.000000 0.214782 0.214782 Ba\n0.000000 0.785217 0.785218 Ba\n0.500000 0.710527 0.210527 Ba\n0.500000 0.289473 0.789473 Ba\n0.214782 0.000000 0.214782 Ba\n0.785218 0.000000 0.785218 Ba\n0.710527 0.500000 0.210527 Ba\n0.289473 0.500000 0.789473 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.463068 0.963068 0.926136 Ba\n0.036932 0.536932 0.073864 Ba\n0.536932 0.463068 0.500000 Ba\n0.963068 0.036932 0.500000 Ba\n0.224967 0.224967 0.000000 U\n0.775033 0.775033 0.000000 U\n0.874926 0.374926 0.749852 V\n0.625074 0.125074 0.250148 V\n0.125074 0.874926 0.500000 V\n0.374926 0.625074 0.500000 V\n0.726936 0.227491 0.848858 S\n0.378633 0.878078 0.151142 S\n0.878078 0.726936 0.499445 S\n0.227491 0.378633 0.500555 S\n0.772509 0.273064 0.151142 S\n0.121922 0.621367 0.848858 S\n0.621367 0.772509 0.499445 S\n0.273064 0.121922 0.500555 S\n0.599676 0.264754 0.356947 S\n0.907808 0.242729 0.643053 S\n0.400324 0.757271 0.665079 S\n0.092192 0.735246 0.334921 S\n0.264754 0.907808 0.665079 S\n0.242729 0.599676 0.334921 S\n0.757271 0.092192 0.356947 S\n0.735246 0.400324 0.643053 S\n0.360928 0.352634 0.226011 S\n0.126623 0.134917 0.773989 S\n0.639072 0.865083 0.991706 S\n0.873377 0.647366 0.008294 S\n0.352634 0.126623 0.991706 S\n0.134917 0.360928 0.008294 S\n0.865083 0.873377 0.226011 S\n0.647366 0.639072 0.773989 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 O\n",
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"spacegroup": 97
},
{
"id": "mp-1198551",
"created_at": "2022-09-04T14:43:24.729136Z",
"structure_string": "Ba4 Ti4 S24 O84\n1.0\n13.388563 0.000000 0.000000\n0.000000 7.317761 0.000000\n0.000000 0.943242 18.419835\nBa Ti S O\n4 4 24 84\ndirect\n0.745790 0.938678 0.509027 Ba\n0.245790 0.061322 0.990973 Ba\n0.254210 0.061322 0.490973 Ba\n0.754210 0.938678 0.009027 Ba\n0.132271 0.701004 0.754017 Ti\n0.632271 0.298996 0.745983 Ti\n0.867729 0.298996 0.245983 Ti\n0.367729 0.701004 0.254017 Ti\n0.195512 0.558881 0.594674 S\n0.695512 0.441119 0.905326 S\n0.804488 0.441119 0.405326 S\n0.304488 0.558881 0.094674 S\n0.022029 0.784999 0.598147 S\n0.522029 0.215001 0.901853 S\n0.977971 0.215001 0.401853 S\n0.477971 0.784999 0.098147 S\n0.266943 0.060180 0.768094 S\n0.766943 0.939820 0.731906 S\n0.733057 0.939820 0.231906 S\n0.233057 0.060180 0.268094 S\n0.352057 0.737881 0.836611 S\n0.852057 0.262119 0.663389 S\n0.647943 0.262119 0.163389 S\n0.147943 0.737881 0.336611 S\n0.011404 0.785954 0.901099 S\n0.511404 0.214046 0.598901 S\n0.988596 0.214046 0.098901 S\n0.488596 0.785954 0.401099 S\n0.048275 0.399544 0.876159 S\n0.548275 0.600456 0.623841 S\n0.951725 0.600456 0.123841 S\n0.451725 0.399544 0.376159 S\n0.029098 0.762109 0.679766 O\n0.529098 0.237891 0.820234 O\n0.970902 0.237891 0.320234 O\n0.470902 0.762109 0.179766 O\n0.193243 0.563780 0.676261 O\n0.693243 0.436220 0.823739 O\n0.806757 0.436220 0.323739 O\n0.306757 0.563780 0.176261 O\n0.921374 0.761360 0.573895 O\n0.421374 0.238640 0.926105 O\n0.078626 0.238640 0.426105 O\n0.578626 0.761360 0.073895 O\n0.077608 0.598928 0.571498 O\n0.577608 0.401072 0.928502 O\n0.922392 0.401072 0.428502 O\n0.422392 0.598928 0.071498 O\n0.077647 0.942169 0.570366 O\n0.577647 0.057831 0.929634 O\n0.922353 0.057831 0.429634 O\n0.422353 0.942169 0.070366 O\n0.255105 0.705811 0.563293 O\n0.755105 0.294189 0.936707 O\n0.744895 0.294189 0.436707 O\n0.244895 0.705811 0.063293 O\n0.250352 0.664295 0.815853 O\n0.750352 0.335705 0.684147 O\n0.749648 0.335705 0.184147 O\n0.249648 0.664295 0.315853 O\n0.195374 0.939127 0.727592 O\n0.695374 0.060873 0.772408 O\n0.804626 0.060873 0.272408 O\n0.304626 0.939127 0.227592 O\n0.226529 0.097178 0.838465 O\n0.726529 0.902822 0.661535 O\n0.773471 0.902822 0.161535 O\n0.273471 0.097178 0.338465 O\n0.363973 0.922779 0.781458 O\n0.863973 0.077221 0.718542 O\n0.636027 0.077221 0.218542 O\n0.136027 0.922779 0.281458 O\n0.348362 0.799922 0.909587 O\n0.848362 0.200078 0.590413 O\n0.651638 0.200078 0.090413 O\n0.151638 0.799922 0.409587 O\n0.210214 0.376787 0.571820 O\n0.710214 0.623213 0.928180 O\n0.789786 0.623213 0.428180 O\n0.289786 0.376787 0.071820 O\n0.305003 0.205560 0.721989 O\n0.805003 0.794440 0.778011 O\n0.694997 0.794440 0.278011 O\n0.194997 0.205560 0.221989 O\n0.431751 0.622860 0.816052 O\n0.931751 0.377140 0.683948 O\n0.568249 0.377140 0.183948 O\n0.068249 0.622860 0.316052 O\n0.082806 0.477076 0.802214 O\n0.582806 0.522924 0.697786 O\n0.917194 0.522924 0.197786 O\n0.417194 0.477076 0.302214 O\n0.977863 0.569394 0.904237 O\n0.477863 0.430606 0.595763 O\n0.022137 0.430606 0.095763 O\n0.522137 0.569394 0.404237 O\n0.044479 0.822465 0.823517 O\n0.544479 0.177535 0.676483 O\n0.955521 0.177535 0.176483 O\n0.455521 0.822465 0.323517 O\n0.918566 0.873715 0.916361 O\n0.418566 0.126285 0.583639 O\n0.081434 0.126285 0.083639 O\n0.581434 0.873715 0.416361 O\n0.093786 0.808567 0.950157 O\n0.593786 0.191433 0.549843 O\n0.906214 0.191433 0.049843 O\n0.406214 0.808567 0.450157 O\n0.978445 0.254949 0.869111 O\n0.478445 0.745051 0.630889 O\n0.021555 0.745051 0.130889 O\n0.521555 0.254949 0.369111 O\n0.130659 0.376704 0.926207 O\n0.630659 0.623296 0.573793 O\n0.869341 0.623296 0.073793 O\n0.369341 0.376704 0.426207 O\n",
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"elements": [
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"formula_full": "Ba4 Ti4 S24 O84",
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"updated_at": "2021-11-28T01:36:17.036000Z",
"spacegroup": 14
},
{
"id": "mp-555781",
"created_at": "2022-09-04T14:45:57.245409Z",
"structure_string": "Ba12 Ti10 S30 O2\n1.0\n3.386238 -7.908302 0.000000\n3.386238 7.908302 0.000000\n0.000000 0.000000 24.012056\nBa Ti S O\n12 10 30 2\ndirect\n0.379431 0.181097 0.322127 Ba\n0.620569 0.818903 0.822127 Ba\n0.097885 0.314754 0.163843 Ba\n0.155347 0.444608 0.482886 Ba\n0.818903 0.620569 0.177873 Ba\n0.844653 0.555392 0.982886 Ba\n0.555392 0.844653 0.017114 Ba\n0.181097 0.379431 0.677873 Ba\n0.902115 0.685246 0.663843 Ba\n0.314754 0.097885 0.836157 Ba\n0.444608 0.155347 0.517114 Ba\n0.685246 0.902115 0.336157 Ba\n0.367644 0.111001 0.094620 Ti\n0.935253 0.448902 0.804979 Ti\n0.551098 0.064747 0.695021 Ti\n0.173928 0.173928 0.000000 Ti\n0.111001 0.367644 0.905380 Ti\n0.632356 0.888999 0.594620 Ti\n0.888999 0.632356 0.405380 Ti\n0.826072 0.826072 0.500000 Ti\n0.448902 0.935253 0.195021 Ti\n0.064747 0.551098 0.304979 Ti\n0.644015 0.949281 0.493603 S\n0.217832 0.692279 0.890183 S\n0.738960 0.215229 0.884335 S\n0.355985 0.050719 0.993603 S\n0.215229 0.738960 0.115665 S\n0.808122 0.609306 0.803848 S\n0.029020 0.063773 0.573628 S\n0.609306 0.808122 0.196152 S\n0.467636 0.439494 0.072552 S\n0.050719 0.355985 0.006397 S\n0.782168 0.307721 0.390183 S\n0.307721 0.782168 0.609817 S\n0.255727 0.744273 0.750000 S\n0.936227 0.970980 0.926372 S\n0.873559 0.696946 0.309222 S\n0.696946 0.873559 0.690778 S\n0.261040 0.784771 0.384335 S\n0.970980 0.936227 0.073628 S\n0.191878 0.390694 0.303848 S\n0.560506 0.532364 0.427448 S\n0.744273 0.255727 0.250000 S\n0.390694 0.191878 0.696152 S\n0.949281 0.644015 0.506397 S\n0.063773 0.029020 0.426372 S\n0.692279 0.217832 0.109817 S\n0.126441 0.303054 0.809222 S\n0.439494 0.467636 0.927448 S\n0.532364 0.560506 0.572552 S\n0.784771 0.261040 0.615665 S\n0.303054 0.126441 0.190778 S\n0.756220 0.243780 0.750000 O\n0.243780 0.756220 0.250000 O\n",
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{
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"structure_string": "Ba4 Te4 S16 O36\n1.0\n5.397361 0.000000 0.000000\n0.000000 11.067234 0.000000\n0.000000 4.659237 21.070845\nBa Te S O\n4 4 16 36\ndirect\n0.329521 0.145387 0.592647 Ba\n0.829521 0.854613 0.907353 Ba\n0.670479 0.854613 0.407353 Ba\n0.170479 0.145387 0.092647 Ba\n0.013469 0.603862 0.687811 Te\n0.513469 0.396138 0.812189 Te\n0.986531 0.396138 0.312189 Te\n0.486531 0.603862 0.187811 Te\n0.299240 0.672231 0.602389 S\n0.799240 0.327769 0.897611 S\n0.700760 0.327769 0.397611 S\n0.200760 0.672231 0.102389 S\n0.771400 0.464750 0.639525 S\n0.271400 0.535250 0.860475 S\n0.228600 0.535250 0.360475 S\n0.728600 0.464750 0.139525 S\n0.137793 0.831821 0.543141 S\n0.637793 0.168179 0.956859 S\n0.862207 0.168179 0.456859 S\n0.362207 0.831821 0.043141 S\n0.905866 0.284785 0.681446 S\n0.405866 0.715215 0.818554 S\n0.094134 0.715215 0.318554 S\n0.594134 0.284785 0.181446 S\n0.131019 0.930740 0.579065 O\n0.631019 0.069260 0.920935 O\n0.868981 0.069260 0.420935 O\n0.368981 0.930740 0.079065 O\n0.316499 0.857270 0.490275 O\n0.816499 0.142730 0.009725 O\n0.683501 0.142730 0.509725 O\n0.183501 0.857270 0.990275 O\n0.890844 0.799855 0.522807 O\n0.390844 0.200145 0.977193 O\n0.109156 0.200145 0.477193 O\n0.609156 0.799855 0.022807 O\n0.820814 0.251912 0.747109 O\n0.320814 0.748088 0.752891 O\n0.179186 0.748088 0.252891 O\n0.679186 0.251912 0.247109 O\n0.791981 0.209588 0.639196 O\n0.291981 0.790412 0.860804 O\n0.208019 0.790412 0.360804 O\n0.708019 0.209588 0.139196 O\n0.178742 0.284148 0.675328 O\n0.678742 0.715852 0.824672 O\n0.821258 0.715852 0.324672 O\n0.321258 0.284148 0.175328 O\n0.780831 0.921810 0.690543 O\n0.280831 0.078190 0.809457 O\n0.219169 0.078190 0.309457 O\n0.719169 0.921810 0.190543 O\n0.928695 0.957561 0.726360 O\n0.428695 0.042439 0.773640 O\n0.071305 0.042439 0.273640 O\n0.571305 0.957561 0.226360 O\n0.421728 0.463232 0.513629 O\n0.921728 0.536768 0.986371 O\n0.578272 0.536768 0.486371 O\n0.078272 0.463232 0.013629 O\n",
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"formula_full": "Ba4 Te4 S16 O36",
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"spacegroup": 14
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{
"id": "mp-1193998",
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"structure_string": "Ba2 Te2 S8 O16\n1.0\n5.013695 0.000000 -0.413075\n0.000000 10.895337 0.000000\n0.528706 -5.447669 11.360670\nBa Te S O\n2 2 8 16\ndirect\n0.158458 0.215503 0.431007 Ba\n0.841542 0.784497 0.568993 Ba\n0.762564 0.371913 0.743826 Te\n0.237436 0.628087 0.256174 Te\n0.487813 0.254302 0.837368 S\n0.512187 0.416933 0.162632 S\n0.512187 0.745698 0.162632 S\n0.487813 0.583067 0.837368 S\n0.340357 0.086476 0.681323 S\n0.659643 0.405154 0.318677 S\n0.659643 0.913524 0.318677 S\n0.340357 0.594846 0.681323 S\n0.663598 0.293456 0.586911 O\n0.336402 0.706544 0.413089 O\n0.256208 0.085737 0.171474 O\n0.743792 0.914263 0.828526 O\n0.577814 0.020637 0.619158 O\n0.422186 0.401478 0.380842 O\n0.422186 0.979363 0.380842 O\n0.577814 0.598522 0.619158 O\n0.190505 0.003588 0.724730 O\n0.809495 0.278858 0.275270 O\n0.809495 0.996412 0.275270 O\n0.190505 0.721142 0.724730 O\n0.171598 0.147169 0.619671 O\n0.828402 0.527498 0.380329 O\n0.828402 0.852831 0.380329 O\n0.171598 0.472502 0.619671 O\n",
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},
{
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"structure_string": "Ba4 Se4 S16 O32\n1.0\n5.278965 0.000000 0.000000\n0.000000 10.619401 0.000000\n0.000000 0.000000 23.122413\nBa Se S O\n4 4 16 32\ndirect\n0.718181 0.250000 0.543442 Ba\n0.218181 0.250000 0.956558 Ba\n0.281819 0.750000 0.456558 Ba\n0.781819 0.750000 0.043442 Ba\n0.040242 0.250000 0.326849 Se\n0.540242 0.250000 0.173151 Se\n0.959758 0.750000 0.673151 Se\n0.459758 0.750000 0.826849 Se\n0.792342 0.084473 0.321933 S\n0.292342 0.415527 0.178067 S\n0.207658 0.584473 0.678067 S\n0.707658 0.915527 0.821933 S\n0.207658 0.915527 0.678067 S\n0.707658 0.584473 0.821933 S\n0.792342 0.415527 0.321933 S\n0.292342 0.084473 0.178067 S\n0.814009 0.010491 0.410159 S\n0.314009 0.489509 0.089841 S\n0.185991 0.510491 0.589841 S\n0.685991 0.989509 0.910159 S\n0.185991 0.989509 0.589841 S\n0.685991 0.510491 0.910159 S\n0.814009 0.489509 0.410159 S\n0.314009 0.010491 0.089841 S\n0.082844 0.994991 0.423417 O\n0.582844 0.505009 0.076583 O\n0.917156 0.494991 0.576583 O\n0.417156 0.005009 0.923417 O\n0.917156 0.005009 0.576583 O\n0.417156 0.494991 0.923417 O\n0.082844 0.505009 0.423417 O\n0.582844 0.994991 0.076583 O\n0.678614 0.890794 0.401772 O\n0.178614 0.609206 0.098228 O\n0.321386 0.390794 0.598228 O\n0.821386 0.109206 0.901772 O\n0.321386 0.109206 0.598228 O\n0.821386 0.390794 0.901772 O\n0.678614 0.609206 0.401772 O\n0.178614 0.890794 0.098228 O\n0.682436 0.100993 0.446761 O\n0.182436 0.399007 0.053239 O\n0.317564 0.600993 0.553239 O\n0.817564 0.899007 0.946761 O\n0.317564 0.899007 0.553239 O\n0.817564 0.600993 0.946761 O\n0.682436 0.399007 0.446761 O\n0.182436 0.100993 0.053239 O\n0.225147 0.250000 0.497004 O\n0.725147 0.250000 0.002996 O\n0.774853 0.750000 0.502996 O\n0.274853 0.750000 0.997004 O\n0.828490 0.250000 0.664892 O\n0.328490 0.250000 0.835108 O\n0.171510 0.750000 0.335108 O\n0.671510 0.750000 0.164892 O\n",
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"updated_at": "2021-11-28T01:35:22.540000Z",
"spacegroup": 62
},
{
"id": "mp-1106056",
"created_at": "2022-09-04T14:45:41.064623Z",
"structure_string": "Ba1 Sb12 Os4\n1.0\n-4.736912 4.736912 4.736912\n4.736912 -4.736912 4.736912\n4.736912 4.736912 -4.736912\nBa Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.342037 0.182807 0.840770 Sb\n0.657963 0.817193 0.159230 Sb\n0.657963 0.498732 0.840770 Sb\n0.342037 0.501268 0.159230 Sb\n0.182807 0.840770 0.342037 Sb\n0.817193 0.159230 0.657963 Sb\n0.498732 0.840770 0.657963 Sb\n0.501268 0.159230 0.342037 Sb\n0.840770 0.342037 0.182807 Sb\n0.159230 0.657963 0.817193 Sb\n0.840770 0.657963 0.498732 Sb\n0.159230 0.342037 0.501268 Sb\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
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"elements": [
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],
"chemical_system": "Ba-Os-Sb",
"density": 9.215070386261333,
"density_atomic": 0.039985541332712,
"volume": 425.1536788897333,
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"formula_full": "Ba1 Sb12 Os4",
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"updated_at": "2021-11-28T01:37:17.849000Z",
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},
{
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"created_at": "2022-09-04T14:43:44.263975Z",
"structure_string": "Ba1 Sr1 Zr2 O6\n1.0\n4.226410 0.000000 0.000000\n0.000000 4.226410 0.000000\n0.000000 0.000000 8.451952\nBa Sr Zr O\n1 1 2 6\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.746895 Zr\n0.000000 -0.000000 0.253105 Zr\n0.500000 0.000000 0.744370 O\n0.500000 -0.000000 0.255630 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.000000 0.000000 O\n-0.000000 0.500000 0.744370 O\n-0.000000 0.500000 0.255630 O\n",
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],
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"formula_full": "Ba1 Sr1 Zr2 O6",
"formula_reduced": "BaSrZr2O6",
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"updated_at": "2021-11-28T01:36:17.363000Z",
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}
]
}