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{
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{
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"structure_string": "Ba2 Sr2 I8\n1.0\n3.180266 -11.788417 0.000000\n3.180266 11.788417 0.000000\n0.000000 0.000000 8.300696\nBa Sr I\n2 2 8\ndirect\n0.812230 0.187770 0.103352 Ba\n0.187770 0.812230 0.603352 Ba\n0.584537 0.415463 0.005350 Sr\n0.415463 0.584537 0.505350 Sr\n0.901029 0.098971 0.449991 I\n0.544997 0.455003 0.624517 I\n0.677978 0.322022 0.310843 I\n0.709610 0.290390 0.796239 I\n0.098971 0.901029 0.949991 I\n0.290390 0.709610 0.296239 I\n0.455003 0.544997 0.124517 I\n0.322022 0.677978 0.810843 I\n",
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"spacegroup": 36
},
{
"id": "mp-754199",
"created_at": "2022-09-04T14:39:32.376712Z",
"structure_string": "Ba2 Sr2 I8\n1.0\n7.504319 5.444150 0.000000\n-7.504319 5.444150 0.000000\n0.000000 5.229135 6.718203\nBa Sr I\n2 2 8\ndirect\n0.981408 0.018592 0.250000 Ba\n0.018592 0.981408 0.750000 Ba\n0.631656 0.368344 0.750000 Sr\n0.368344 0.631656 0.250000 Sr\n0.628471 0.744582 0.760199 I\n0.944786 0.305240 0.436436 I\n0.305240 0.944786 0.936436 I\n0.255418 0.371529 0.739801 I\n0.744582 0.628471 0.260199 I\n0.694760 0.055214 0.063564 I\n0.055214 0.694760 0.563564 I\n0.371529 0.255418 0.239801 I\n",
"nsites": 12,
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"elements": [
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"formula_full": "Ba2 Sr2 I8",
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"spacegroup": 15
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{
"id": "mp-1178505",
"created_at": "2022-09-04T14:47:32.245849Z",
"structure_string": "Ba2 Sr2 I8\n1.0\n-4.114007 4.114007 8.205393\n4.114007 -4.114007 8.205393\n4.114007 4.114007 -8.205393\nBa Sr I\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.640012 0.628450 0.507008 I\n0.866996 0.359988 0.988438 I\n0.371550 0.878558 0.011562 I\n0.628558 0.116996 0.007008 I\n0.121442 0.133004 0.492992 I\n0.378450 0.371442 0.488438 I\n0.883004 0.890012 0.511562 I\n0.109988 0.621550 0.992992 I\n",
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"formula_full": "Ba2 Sr2 I8",
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"spacegroup": 88
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{
"id": "mp-1227777",
"created_at": "2022-09-04T14:43:49.710202Z",
"structure_string": "Ba2 Sr2 Ho8 O16\n1.0\n0.000000 -3.439461 0.000000\n-10.289429 0.000000 0.000000\n0.000000 0.000000 -12.060879\nBa Sr Ho O\n2 2 8 16\ndirect\n0.750000 0.747756 0.148759 Ba\n0.750000 0.247756 0.351241 Ba\n0.250000 0.254789 0.853256 Sr\n0.250000 0.754789 0.646744 Sr\n0.750000 0.075260 0.612965 Ho\n0.750000 0.575260 0.887035 Ho\n0.250000 0.922431 0.392823 Ho\n0.250000 0.422431 0.107177 Ho\n0.750000 0.077775 0.107298 Ho\n0.750000 0.577775 0.392702 Ho\n0.250000 0.925847 0.885332 Ho\n0.250000 0.425847 0.614668 Ho\n0.750000 0.077127 0.919776 O\n0.750000 0.577127 0.580224 O\n0.250000 0.932940 0.071968 O\n0.250000 0.432940 0.428032 O\n0.750000 0.376237 0.977955 O\n0.750000 0.876237 0.522045 O\n0.250000 0.615708 0.014494 O\n0.250000 0.115708 0.485506 O\n0.750000 0.289095 0.667522 O\n0.750000 0.789095 0.832478 O\n0.250000 0.710842 0.339960 O\n0.250000 0.210842 0.160040 O\n0.750000 0.983740 0.284173 O\n0.750000 0.483740 0.215827 O\n0.250000 0.010453 0.715562 O\n0.250000 0.510453 0.784438 O\n",
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"elements": [
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"formula_full": "Ba2 Sr2 Ho8 O16",
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"spacegroup": 26
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{
"id": "mp-1228688",
"created_at": "2022-09-04T14:44:15.153323Z",
"structure_string": "Ba2 Sr2 Gd8 O16\n1.0\n-0.000067 -3.505053 -0.000007\n-10.408786 -0.000197 0.000965\n0.001121 -0.000025 -12.221954\nBa Sr Gd O\n2 2 8 16\ndirect\n0.750000 0.748387 0.147764 Ba\n0.750000 0.248389 0.352222 Ba\n0.249999 0.254202 0.853203 Sr\n0.250000 0.754162 0.646785 Sr\n0.750001 0.079842 0.109551 Gd\n0.750003 0.579868 0.390415 Gd\n0.250002 0.922920 0.886177 Gd\n0.249994 0.422928 0.613834 Gd\n0.750001 0.073996 0.613234 Gd\n0.749996 0.573982 0.886790 Gd\n0.249997 0.923894 0.390725 Gd\n0.250009 0.423933 0.109277 Gd\n0.750000 0.286263 0.672679 O\n0.749999 0.786471 0.827377 O\n0.249998 0.713274 0.332867 O\n0.250000 0.213115 0.167154 O\n0.750009 0.374322 0.979081 O\n0.750000 0.874435 0.520800 O\n0.250005 0.619599 0.015261 O\n0.249999 0.119466 0.484815 O\n0.749996 0.074634 0.919333 O\n0.749996 0.574823 0.580676 O\n0.250002 0.932889 0.075532 O\n0.250003 0.432854 0.424347 O\n0.750001 0.990242 0.285449 O\n0.749995 0.490334 0.214603 O\n0.250002 0.005377 0.714401 O\n0.249992 0.505399 0.785650 O\n",
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"formula_full": "Ba2 Sr2 Gd8 O16",
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"spacegroup": 26
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{
"id": "mp-1523339",
"created_at": "2022-09-04T14:45:41.309232Z",
"structure_string": "Ba2 Sr2 Gd2 Sb2 O12\n1.0\n5.980787 -0.010449 -0.009283\n-0.013103 6.019549 -0.014860\n-0.016151 -0.023797 8.485202\nBa Sr Gd Sb O\n2 2 2 2 12\ndirect\n0.505249 0.521711 0.249570 Ba\n0.494751 0.478289 0.750430 Ba\n0.995006 0.030553 0.251409 Sr\n0.004994 0.969447 0.748591 Sr\n0.000000 0.500000 0.000000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.234270 0.202619 0.963399 O\n0.261244 0.708454 0.529135 O\n0.765730 0.797381 0.036601 O\n0.738756 0.291546 0.470865 O\n0.293811 0.738054 0.967518 O\n0.199260 0.231335 0.534365 O\n0.706189 0.261946 0.032482 O\n0.800740 0.768665 0.465635 O\n0.428770 0.995627 0.233794 O\n0.054618 0.477754 0.265634 O\n0.571230 0.004373 0.766206 O\n0.945382 0.522246 0.734366 O\n",
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{
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"structure_string": "Ba2 Sr2 Gd2 Nb2 O12\n1.0\n5.991328 -0.012349 -0.011402\n-0.014870 6.026401 -0.015155\n-0.019135 -0.024062 8.495671\nBa Sr Gd Nb O\n2 2 2 2 12\ndirect\n0.506096 0.526205 0.250028 Ba\n0.493904 0.473795 0.749972 Ba\n0.994213 0.032470 0.250907 Sr\n0.005787 0.967530 0.749093 Sr\n-0.000000 0.500000 -0.000000 Gd\n0.500000 -0.000000 0.500000 Gd\n0.500000 -0.000000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.230272 0.198077 0.961134 O\n0.264321 0.704916 0.533868 O\n0.769728 0.801923 0.038866 O\n0.735679 0.295084 0.466132 O\n0.297055 0.734354 0.964178 O\n0.195538 0.227294 0.537572 O\n0.702945 0.265646 0.035822 O\n0.804462 0.772706 0.462428 O\n0.423479 0.991792 0.233664 O\n0.061558 0.478226 0.265830 O\n0.576521 0.008208 0.766336 O\n0.938442 0.521774 0.734170 O\n",
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"formula_full": "Ba2 Sr2 Gd2 Nb2 O12",
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{
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"structure_string": "Ba2 Sr2 Gd2 Bi2 O12\n1.0\n6.105006 -0.002890 0.008754\n0.000145 6.157281 -0.006429\n0.016149 -0.005616 8.660184\nBa Sr Gd Bi O\n2 2 2 2 12\ndirect\n0.993838 0.028806 0.249983 Ba\n0.006162 0.971194 0.750017 Ba\n0.508080 0.536739 0.250840 Sr\n0.491920 0.463261 0.749160 Sr\n0.500000 -0.000000 0.000000 Gd\n-0.000000 0.500000 0.500000 Gd\n-0.000000 0.500000 0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.207575 0.223464 0.961606 O\n0.300784 0.717096 0.545239 O\n0.792425 0.776536 0.038394 O\n0.699216 0.282904 0.454761 O\n0.280543 0.702787 0.953455 O\n0.222705 0.209038 0.534384 O\n0.719457 0.297213 0.046545 O\n0.777295 0.790962 0.465616 O\n0.432978 0.962012 0.258058 O\n0.087826 0.490229 0.241439 O\n0.567022 0.037988 0.741942 O\n0.912174 0.509771 0.758561 O\n",
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{
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"structure_string": "Ba2 Sr2 Fe8 O16\n1.0\n4.151843 -9.605508 0.000000\n4.151843 9.605508 0.000000\n0.000000 0.000000 5.483454\nBa Sr Fe O\n2 2 8 16\ndirect\n0.617358 0.382642 0.780194 Ba\n0.382642 0.617358 0.280194 Ba\n0.128488 0.871512 0.749719 Sr\n0.871512 0.128488 0.249719 Sr\n0.924905 0.504567 0.251877 Fe\n0.495433 0.075095 0.251877 Fe\n0.075095 0.495433 0.751877 Fe\n0.504567 0.924905 0.751877 Fe\n0.773768 0.686125 0.264712 Fe\n0.313875 0.226232 0.264712 Fe\n0.226232 0.313875 0.764712 Fe\n0.686125 0.773768 0.764712 Fe\n0.924518 0.515789 0.598899 O\n0.484211 0.075482 0.598899 O\n0.075482 0.484211 0.098899 O\n0.515789 0.924518 0.098899 O\n0.928360 0.674054 0.108521 O\n0.325946 0.071640 0.108521 O\n0.071640 0.325946 0.608521 O\n0.674054 0.928360 0.608521 O\n0.283611 0.716389 0.650617 O\n0.716389 0.283611 0.150617 O\n0.833605 0.755881 0.597310 O\n0.244119 0.166395 0.597310 O\n0.166395 0.244119 0.097310 O\n0.755881 0.833605 0.097310 O\n0.453705 0.546295 0.761833 O\n0.546295 0.453705 0.261833 O\n",
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