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{
"id": "mp-1016343",
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"structure_string": "Ba2 Sr2 Mg12\n1.0\n5.514253 0.000000 0.000000\n0.000000 7.232528 0.000000\n0.000000 0.000000 12.364497\nBa Sr Mg\n2 2 12\ndirect\n0.500000 0.500000 0.155293 Ba\n0.500000 0.000000 0.655293 Ba\n0.000000 0.500000 0.345994 Sr\n0.000000 0.000000 0.845994 Sr\n0.000000 0.231636 0.085268 Mg\n0.000000 0.768364 0.085268 Mg\n0.000000 0.500000 0.835986 Mg\n0.500000 0.257918 0.915369 Mg\n0.500000 0.742082 0.915369 Mg\n0.500000 0.500000 0.661454 Mg\n0.000000 0.731636 0.585268 Mg\n0.000000 0.268364 0.585268 Mg\n0.000000 0.000000 0.335986 Mg\n0.500000 0.757918 0.415369 Mg\n0.500000 0.242082 0.415369 Mg\n0.500000 0.000000 0.161454 Mg\n",
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{
"id": "mp-1016278",
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"structure_string": "Ba2 Sr2 Mg12\n1.0\n5.385899 0.000000 0.000000\n0.000000 7.274363 0.000000\n0.000000 0.000000 12.831551\nBa Sr Mg\n2 2 12\ndirect\n0.500000 0.500000 0.168100 Ba\n0.500000 0.000000 0.668100 Ba\n0.500000 0.000000 0.168141 Sr\n0.500000 0.500000 0.668141 Sr\n0.500000 0.252314 0.419821 Mg\n0.500000 0.747686 0.419821 Mg\n0.000000 0.755651 0.058190 Mg\n0.000000 0.244349 0.058190 Mg\n0.000000 0.000000 0.353213 Mg\n0.000000 0.500000 0.354520 Mg\n0.500000 0.752314 0.919821 Mg\n0.500000 0.247686 0.919821 Mg\n0.000000 0.255651 0.558190 Mg\n0.000000 0.744349 0.558190 Mg\n0.000000 0.500000 0.853213 Mg\n0.000000 0.000000 0.854520 Mg\n",
"nsites": 16,
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"elements": [
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],
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"volume": 502.7271365509495,
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"formula_full": "Ba2 Sr2 Mg12",
"formula_reduced": "BaSrMg6",
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"updated_at": "2021-11-28T01:36:14.017000Z",
"spacegroup": 38
},
{
"id": "mp-1227532",
"created_at": "2022-09-04T14:46:07.598492Z",
"structure_string": "Ba2 Sr2 Lu2 Bi2 O12\n1.0\n6.026125 0.000000 0.000000\n0.000000 6.025967 0.000000\n0.000000 6.033927 8.520350\nBa Sr Lu Bi O\n2 2 2 2 12\ndirect\n0.265175 0.253172 0.250228 Ba\n0.734825 0.253172 0.750228 Ba\n0.225849 0.743025 0.749929 Sr\n0.774151 0.743025 0.249929 Sr\n0.749169 0.499559 0.000196 Lu\n0.250831 0.499559 0.500196 Lu\n0.749101 0.000355 0.499694 Bi\n0.250899 0.000355 0.999694 Bi\n0.535894 0.318918 0.460668 O\n0.464106 0.318918 0.960668 O\n0.977447 0.702329 0.530512 O\n0.022553 0.702329 0.030512 O\n0.765761 0.805913 0.747036 O\n0.234239 0.805913 0.247036 O\n0.741412 0.172071 0.253525 O\n0.258588 0.172071 0.753525 O\n0.019922 0.254828 0.469969 O\n0.980078 0.254828 0.969969 O\n0.468908 0.749830 0.538243 O\n0.531092 0.749830 0.038243 O\n",
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"density_atomic": 0.0646409418214836,
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"formula_full": "Ba2 Sr2 Lu2 Bi2 O12",
"formula_reduced": "BaSrLuBiO6",
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"updated_at": "2021-11-28T01:37:20.669000Z",
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},
{
"id": "mp-1227776",
"created_at": "2022-09-04T14:48:07.315613Z",
"structure_string": "Ba2 Sr2 La8 O16\n1.0\n3.677719 0.000000 0.000000\n0.000000 10.619860 0.000000\n0.000000 0.000000 12.608902\nBa Sr La O\n2 2 8 16\ndirect\n0.500000 0.751842 0.604160 Ba\n0.500000 0.251842 0.395840 Ba\n0.000000 0.248358 0.897403 Sr\n0.000000 0.748358 0.102597 Sr\n0.500000 0.086687 0.640914 La\n0.500000 0.586687 0.359086 La\n0.000000 0.916337 0.864149 La\n0.000000 0.416337 0.135851 La\n0.500000 0.071931 0.132165 La\n0.500000 0.571931 0.867835 La\n0.000000 0.925581 0.362702 La\n0.000000 0.425581 0.637298 La\n0.500000 0.987000 0.467147 O\n0.500000 0.487000 0.532853 O\n0.000000 0.011609 0.031356 O\n0.000000 0.511609 0.968644 O\n0.500000 0.284184 0.060309 O\n0.500000 0.784184 0.939691 O\n0.000000 0.715446 0.430958 O\n0.000000 0.215446 0.569042 O\n0.500000 0.073239 0.830984 O\n0.500000 0.573239 0.169016 O\n0.000000 0.934360 0.675352 O\n0.000000 0.434360 0.324648 O\n0.500000 0.365888 0.770664 O\n0.500000 0.865888 0.229336 O\n0.000000 0.627535 0.736123 O\n0.000000 0.127535 0.263877 O\n",
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"density": 6.127171717994599,
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"volume": 492.46413150740995,
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"formula_full": "Ba2 Sr2 La8 O16",
"formula_reduced": "BaSrLa4O8",
"formula_anonymous": "ABC4D8",
"energy": -226.10371149,
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"updated_at": "2021-11-28T01:38:24.782000Z",
"spacegroup": 26
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{
"id": "mp-1227956",
"created_at": "2022-09-04T14:46:32.804983Z",
"structure_string": "Ba2 Sr2 La8 Be4 O20\n1.0\n7.441663 0.000000 0.000000\n0.000000 6.784668 0.000000\n0.000000 0.102070 9.874413\nBa Sr La Be O\n2 2 8 4 20\ndirect\n0.979203 0.582483 0.676339 Ba\n0.479203 0.417517 0.323661 Ba\n0.482610 0.082643 0.824860 Sr\n0.982610 0.917357 0.175140 Sr\n0.747279 0.091012 0.523090 La\n0.745109 0.405555 0.021104 La\n0.247279 0.908988 0.476910 La\n0.245109 0.594445 0.978896 La\n0.533647 0.931231 0.169379 La\n0.033647 0.068769 0.830621 La\n0.022648 0.427261 0.324270 La\n0.522648 0.572739 0.675730 La\n0.752254 0.696310 0.398099 Be\n0.746952 0.811335 0.902640 Be\n0.252254 0.303690 0.601901 Be\n0.246952 0.188665 0.097360 Be\n0.754164 0.158173 0.276458 O\n0.730812 0.340610 0.783492 O\n0.254164 0.841827 0.723542 O\n0.230812 0.659390 0.216508 O\n0.759435 0.640806 0.229027 O\n0.744582 0.874708 0.733681 O\n0.259435 0.359194 0.770973 O\n0.244582 0.125292 0.266319 O\n0.060353 0.312091 0.064727 O\n0.440070 0.190160 0.567256 O\n0.560353 0.687909 0.935273 O\n0.940070 0.809840 0.432744 O\n0.938050 0.701429 0.937049 O\n0.563165 0.816913 0.428239 O\n0.438050 0.298571 0.062951 O\n0.063165 0.183087 0.571761 O\n0.747111 0.016788 0.992171 O\n0.752556 0.483825 0.485845 O\n0.247111 0.983212 0.007829 O\n0.252556 0.516175 0.514155 O\n",
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"density": 6.385587366535824,
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"formula_full": "Ba2 Sr2 La8 Be4 O20",
"formula_reduced": "BaSrLa4Be2O10",
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"updated_at": "2021-11-28T01:37:34.929000Z",
"spacegroup": 4
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{
"id": "mp-1517703",
"created_at": "2022-09-04T14:45:18.618160Z",
"structure_string": "Ba2 Sr2 La2 W2 O12\n1.0\n6.076000 -0.010337 -0.043592\n-0.015814 6.121040 -0.012110\n-0.068521 -0.023551 8.592250\nBa Sr La W O\n2 2 2 2 12\ndirect\n0.509696 0.535708 0.248232 Ba\n0.490304 0.464292 0.751768 Ba\n0.990495 0.041650 0.252881 Sr\n0.009505 0.958350 0.747119 Sr\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.231551 0.186765 0.955766 O\n0.263726 0.692146 0.534480 O\n0.768449 0.813235 0.044234 O\n0.736274 0.307854 0.465520 O\n0.304807 0.734473 0.954034 O\n0.185774 0.224636 0.545672 O\n0.695193 0.265527 0.045966 O\n0.814226 0.775364 0.454328 O\n0.410801 0.994241 0.225068 O\n0.073911 0.474248 0.273451 O\n0.589199 0.005759 0.774932 O\n0.926089 0.525752 0.726549 O\n",
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"formula_full": "Ba2 Sr2 La2 W2 O12",
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{
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{
"id": "mp-1518099",
"created_at": "2022-09-04T14:41:34.194359Z",
"structure_string": "Ba2 Sr2 La2 Sb2 O12\n1.0\n6.091743 0.003722 -0.021278\n-0.002205 6.139647 -0.017426\n-0.038011 -0.031194 8.643108\nBa Sr La Sb O\n2 2 2 2 12\ndirect\n0.506654 0.527671 0.250007 Ba\n0.493346 0.472329 0.749993 Ba\n0.992106 0.037157 0.252109 Sr\n0.007894 0.962843 0.747891 Sr\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.236250 0.193186 0.955645 O\n0.263103 0.697858 0.531257 O\n0.763750 0.806814 0.044355 O\n0.736897 0.302142 0.468743 O\n0.303540 0.737774 0.961098 O\n0.187309 0.231487 0.542390 O\n0.696460 0.262226 0.038902 O\n0.812691 0.768513 0.457610 O\n0.415933 0.992422 0.227924 O\n0.062896 0.465942 0.271129 O\n0.584067 0.007578 0.772076 O\n0.937104 0.534058 0.728871 O\n",
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{
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"structure_string": "Ba2 Sr2 La2 Cu6 O13\n1.0\n0.000000 3.970672 11.850069\n3.884150 0.000000 11.850069\n3.884150 3.970672 0.000000\nBa Sr La Cu O\n2 2 2 6 13\ndirect\n0.400539 0.914249 0.599461 Ba\n0.914249 0.400539 0.085751 Ba\n0.100731 0.593016 0.899269 Sr\n0.593016 0.100731 0.406984 Sr\n0.748750 0.248455 0.251250 La\n0.248455 0.748750 0.751545 La\n0.324705 0.821975 0.178025 Cu\n0.821975 0.324705 0.675295 Cu\n0.170643 0.673374 0.326626 Cu\n0.673374 0.170643 0.829357 Cu\n0.012917 0.492528 0.507472 Cu\n0.492528 0.012917 0.987083 Cu\n0.446890 0.905464 0.094536 O\n0.905464 0.446890 0.553110 O\n0.046987 0.609346 0.390654 O\n0.609346 0.046987 0.953013 O\n0.064524 0.064524 0.435476 O\n0.564524 0.564524 0.935476 O\n0.066324 0.066324 0.933676 O\n0.564194 0.564194 0.435806 O\n0.931127 0.931127 0.568873 O\n0.431127 0.431127 0.068873 O\n0.932180 0.932180 0.067820 O\n0.427504 0.427504 0.572496 O\n0.257924 0.257924 0.742076 O\n",
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{
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