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{
"id": "mp-1192362",
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"structure_string": "Sr4 Gd4 Cu4 S12\n1.0\n3.960440 0.000000 0.000000\n0.000000 10.362202 0.000000\n0.000000 0.000000 12.971433\nSr Gd Cu S\n4 4 4 12\ndirect\n0.250000 0.776395 0.501537 Sr\n0.250000 0.276395 0.998463 Sr\n0.750000 0.223605 0.498463 Sr\n0.750000 0.723605 0.001537 Sr\n0.250000 0.513931 0.259883 Gd\n0.250000 0.013931 0.240117 Gd\n0.750000 0.486069 0.740117 Gd\n0.750000 0.986069 0.759883 Gd\n0.250000 0.736524 0.778472 Cu\n0.250000 0.236524 0.721528 Cu\n0.750000 0.263476 0.221528 Cu\n0.750000 0.763476 0.278472 Cu\n0.250000 0.553150 0.881695 S\n0.250000 0.053150 0.618305 S\n0.750000 0.446850 0.118305 S\n0.750000 0.946850 0.381695 S\n0.250000 0.759203 0.173966 S\n0.250000 0.259203 0.326034 S\n0.750000 0.240797 0.826034 S\n0.750000 0.740797 0.673966 S\n0.250000 0.908583 0.892553 S\n0.250000 0.408583 0.607447 S\n0.750000 0.091417 0.107447 S\n0.750000 0.591417 0.392553 S\n",
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{
"id": "mp-1190889",
"created_at": "2022-09-04T14:42:57.962349Z",
"structure_string": "Sr4 Gd4 Cu4 Se12\n1.0\n4.140522 0.000000 0.000000\n0.000000 10.779811 0.000000\n0.000000 0.000000 13.608029\nSr Gd Cu Se\n4 4 4 12\ndirect\n0.250000 0.269167 0.999511 Sr\n0.250000 0.769167 0.500489 Sr\n0.750000 0.730833 0.000489 Sr\n0.750000 0.230833 0.499511 Sr\n0.250000 0.012568 0.756036 Gd\n0.250000 0.512568 0.743964 Gd\n0.750000 0.987432 0.243964 Gd\n0.750000 0.487432 0.256036 Gd\n0.250000 0.239972 0.278402 Cu\n0.250000 0.739972 0.221598 Cu\n0.750000 0.760028 0.721598 Cu\n0.750000 0.260028 0.778402 Cu\n0.250000 0.259772 0.671034 Se\n0.250000 0.759772 0.828966 Se\n0.750000 0.740228 0.328966 Se\n0.750000 0.240228 0.171034 Se\n0.250000 0.053952 0.386348 Se\n0.250000 0.553952 0.113652 Se\n0.750000 0.946048 0.613652 Se\n0.750000 0.446048 0.886348 Se\n0.250000 0.416399 0.393904 Se\n0.250000 0.916399 0.106096 Se\n0.750000 0.583601 0.606096 Se\n0.750000 0.083601 0.893904 Se\n",
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"density": 5.963207636136353,
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"formula_full": "Sr4 Gd4 Cu4 Se12",
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"updated_at": "2021-11-28T01:36:03.769000Z",
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},
{
"id": "mp-1218337",
"created_at": "2022-09-04T14:40:39.787387Z",
"structure_string": "Sr4 Gd8 Be4 O20\n1.0\n6.552379 0.000000 0.000000\n0.000000 7.186351 0.000000\n0.000000 0.000000 9.544332\nSr Gd Be O\n4 8 4 20\ndirect\n0.583624 0.982047 0.675698 Sr\n0.416376 0.482047 0.324302 Sr\n0.083624 0.482047 0.824302 Sr\n0.916376 0.982047 0.175698 Sr\n0.093761 0.746832 0.520985 Gd\n0.406239 0.746832 0.020985 Gd\n0.906239 0.246832 0.479015 Gd\n0.593761 0.246832 0.979015 Gd\n0.928734 0.525651 0.174872 Gd\n0.071266 0.025651 0.825128 Gd\n0.428734 0.025651 0.325128 Gd\n0.571266 0.525651 0.674872 Gd\n0.692889 0.748887 0.399458 Be\n0.807111 0.748887 0.899458 Be\n0.307111 0.248887 0.600542 Be\n0.192889 0.248887 0.100542 Be\n0.019120 0.747844 0.991626 O\n0.480880 0.747844 0.491626 O\n0.980880 0.247844 0.008374 O\n0.519120 0.247844 0.508374 O\n0.632700 0.750557 0.224728 O\n0.867300 0.750557 0.724728 O\n0.367300 0.250557 0.775272 O\n0.132700 0.250557 0.275272 O\n0.319458 0.056500 0.072191 O\n0.194673 0.443871 0.566429 O\n0.680542 0.556500 0.927809 O\n0.805327 0.943871 0.433571 O\n0.694673 0.943871 0.933571 O\n0.819458 0.556500 0.427809 O\n0.305327 0.443871 0.066429 O\n0.180542 0.056500 0.572191 O\n0.161731 0.747811 0.281175 O\n0.338269 0.747811 0.781175 O\n0.838269 0.247811 0.718825 O\n0.661731 0.247811 0.218825 O\n",
"nsites": 36,
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"elements": [
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"chemical_system": "Be-Gd-O-Sr",
"density": 7.258583139519357,
"density_atomic": 0.08010313762929457,
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"formula_full": "Sr4 Gd8 Be4 O20",
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"energy": -359.16472958,
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"updated_at": "2021-11-28T01:35:04.238000Z",
"spacegroup": 33
},
{
"id": "mp-573240",
"created_at": "2022-09-04T14:41:24.319543Z",
"structure_string": "Sr4 Gd8 Co8 O28\n1.0\n5.460181 0.000000 0.000000\n0.000000 5.460181 0.000000\n0.000000 0.000000 19.733879\nSr Gd Co O\n4 8 8 28\ndirect\n0.742722 0.742722 0.000000 Sr\n0.757278 0.242722 0.500000 Sr\n0.257278 0.257278 0.000000 Sr\n0.242722 0.757278 0.500000 Sr\n0.269567 0.269567 0.818542 Gd\n0.769567 0.230433 0.318542 Gd\n0.230433 0.769567 0.318542 Gd\n0.269567 0.269567 0.181458 Gd\n0.730433 0.730433 0.181458 Gd\n0.730433 0.730433 0.818542 Gd\n0.230433 0.769567 0.681458 Gd\n0.769567 0.230433 0.681458 Gd\n0.745115 0.745115 0.401133 Co\n0.245115 0.754885 0.098867 Co\n0.754885 0.245115 0.098867 Co\n0.754885 0.245115 0.901133 Co\n0.245115 0.754885 0.901133 Co\n0.254885 0.254885 0.598867 Co\n0.254885 0.254885 0.401133 Co\n0.745115 0.745115 0.598867 Co\n0.500000 0.500000 0.377433 O\n0.297491 0.702509 0.792564 O\n0.500000 0.000000 0.393530 O\n0.000000 0.000000 0.592637 O\n0.000000 0.500000 0.893530 O\n0.500000 0.000000 0.893530 O\n0.714105 0.714105 0.500000 O\n0.000000 0.000000 0.122567 O\n0.297491 0.702509 0.207436 O\n0.000000 0.500000 0.106470 O\n0.702509 0.297491 0.792564 O\n0.797491 0.797491 0.707436 O\n0.797491 0.797491 0.292564 O\n0.214105 0.785895 0.000000 O\n0.500000 0.500000 0.622567 O\n0.000000 0.000000 0.877433 O\n0.202509 0.202509 0.707436 O\n0.000000 0.500000 0.393530 O\n0.785895 0.214105 0.000000 O\n0.500000 0.000000 0.606470 O\n0.000000 0.500000 0.606470 O\n0.702509 0.297491 0.207436 O\n0.500000 0.000000 0.106470 O\n0.500000 0.500000 0.092637 O\n0.500000 0.500000 0.907363 O\n0.285895 0.285895 0.500000 O\n0.000000 0.000000 0.407363 O\n0.202509 0.202509 0.292564 O\n",
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],
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"density": 7.134891752035846,
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"formula_full": "Sr4 Gd8 Co8 O28",
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},
{
"id": "mp-3523",
"created_at": "2022-09-04T14:42:07.827161Z",
"structure_string": "Sr4 Gd8 O16\n1.0\n3.486782 0.000000 0.000000\n0.000000 10.251976 0.000000\n0.000000 0.000000 12.150459\nSr Gd O\n4 8 16\ndirect\n0.750000 0.747348 0.148276 Sr\n0.250000 0.252652 0.851724 Sr\n0.750000 0.247348 0.351724 Sr\n0.250000 0.752652 0.648276 Sr\n0.250000 0.423734 0.111713 Gd\n0.750000 0.576266 0.888287 Gd\n0.250000 0.923734 0.388287 Gd\n0.750000 0.076266 0.611713 Gd\n0.750000 0.079288 0.112051 Gd\n0.250000 0.920712 0.887949 Gd\n0.750000 0.579288 0.387949 Gd\n0.250000 0.420712 0.612051 Gd\n0.250000 0.425682 0.421572 O\n0.750000 0.574318 0.578428 O\n0.250000 0.925682 0.078428 O\n0.750000 0.074318 0.921572 O\n0.250000 0.511897 0.784234 O\n0.750000 0.488103 0.215766 O\n0.250000 0.011897 0.715766 O\n0.750000 0.988103 0.284234 O\n0.250000 0.127998 0.479887 O\n0.750000 0.872002 0.520113 O\n0.250000 0.627998 0.020113 O\n0.750000 0.372002 0.979887 O\n0.750000 0.287252 0.678797 O\n0.250000 0.712748 0.321203 O\n0.750000 0.787252 0.821203 O\n0.250000 0.212748 0.178797 O\n",
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{
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"structure_string": "Sr4 Ge12\n1.0\n-3.906721 3.906721 6.093105\n3.906721 -3.906721 6.093105\n3.906721 3.906721 -6.093105\nSr Ge\n4 12\ndirect\n0.170508 0.170508 0.000000 Sr\n0.829492 0.829492 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.336947 0.336947 Ge\n0.000000 0.663053 0.663053 Ge\n0.336947 0.000000 0.336947 Ge\n0.663053 0.000000 0.663053 Ge\n0.787470 0.425709 0.000000 Ge\n0.425709 0.787470 0.000000 Ge\n0.787470 0.787470 0.361762 Ge\n0.425709 0.425709 0.638238 Ge\n0.212530 0.574291 0.000000 Ge\n0.574291 0.212530 0.000000 Ge\n0.212530 0.212530 0.638238 Ge\n0.574291 0.574291 0.361762 Ge\n",
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{
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"structure_string": "Sr4 Ge2 S16 O56\n1.0\n13.246357 0.000000 0.000000\n0.000000 7.094951 0.000000\n0.000000 5.559627 12.407679\nSr Ge S O\n4 2 16 56\ndirect\n0.864973 0.141763 0.159024 Sr\n0.635027 0.141763 0.659024 Sr\n0.135027 0.858237 0.840976 Sr\n0.364973 0.858237 0.340976 Sr\n0.500000 0.500000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.649070 0.216092 0.940971 S\n0.850930 0.216092 0.440971 S\n0.350930 0.783908 0.059029 S\n0.149070 0.783908 0.559029 S\n0.971388 0.683014 0.105211 S\n0.528612 0.683014 0.605211 S\n0.028612 0.316986 0.894789 S\n0.471388 0.316986 0.394789 S\n0.720065 0.621256 0.911022 S\n0.779935 0.621256 0.411022 S\n0.279935 0.378744 0.088978 S\n0.220065 0.378744 0.588978 S\n0.584785 0.235995 0.229658 S\n0.915215 0.235995 0.729658 S\n0.415215 0.764005 0.770342 S\n0.084785 0.764005 0.270342 S\n0.618363 0.134156 0.865551 O\n0.881637 0.134156 0.365551 O\n0.381637 0.865844 0.134449 O\n0.118363 0.865844 0.634449 O\n0.583307 0.285544 0.332518 O\n0.916693 0.285544 0.832518 O\n0.416693 0.714456 0.667482 O\n0.083307 0.714456 0.167482 O\n0.533577 0.044044 0.250418 O\n0.966423 0.044044 0.750418 O\n0.466423 0.955956 0.749582 O\n0.033577 0.955956 0.249582 O\n0.559136 0.251719 0.001479 O\n0.940864 0.251719 0.501479 O\n0.440864 0.748281 0.998521 O\n0.059136 0.748281 0.498521 O\n0.896836 0.806635 0.129701 O\n0.603164 0.806635 0.629701 O\n0.103164 0.193365 0.870299 O\n0.396836 0.193365 0.370299 O\n0.685956 0.451726 0.862076 O\n0.814044 0.451726 0.362076 O\n0.314044 0.548274 0.137924 O\n0.185956 0.548274 0.637924 O\n0.524852 0.420278 0.148946 O\n0.975148 0.420278 0.648946 O\n0.475148 0.579722 0.851054 O\n0.024852 0.579722 0.351054 O\n0.728908 0.113540 0.015271 O\n0.771092 0.113540 0.515271 O\n0.271092 0.886460 0.984729 O\n0.228908 0.886460 0.484729 O\n0.626123 0.642953 0.970324 O\n0.873877 0.642953 0.470324 O\n0.373877 0.357047 0.029676 O\n0.126123 0.357047 0.529676 O\n0.736995 0.804809 0.815512 O\n0.763005 0.804809 0.315512 O\n0.263005 0.195191 0.184488 O\n0.236995 0.195191 0.684488 O\n0.801795 0.533036 0.984773 O\n0.698205 0.533036 0.484773 O\n0.198205 0.466964 0.015227 O\n0.301795 0.466964 0.515227 O\n0.955991 0.462356 0.157709 O\n0.544009 0.462356 0.657709 O\n0.044009 0.537644 0.842291 O\n0.455991 0.537644 0.342291 O\n0.007083 0.762600 0.995468 O\n0.492917 0.762600 0.495468 O\n0.992917 0.237400 0.004532 O\n0.507083 0.237400 0.504532 O\n0.689847 0.249626 0.200149 O\n0.810153 0.249626 0.700149 O\n0.310153 0.750374 0.799851 O\n0.189847 0.750374 0.299851 O\n",
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{
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"structure_string": "Sr4 Ge2 S8\n1.0\n6.771268 0.000000 0.000000\n0.000000 6.794849 0.000000\n0.000000 2.556453 7.881799\nSr Ge S\n4 2 8\ndirect\n0.750000 0.238257 0.565447 Sr\n0.250000 0.761743 0.434553 Sr\n0.750000 0.277980 0.053288 Sr\n0.250000 0.722020 0.946712 Sr\n0.750000 0.730452 0.198124 Ge\n0.250000 0.269548 0.801876 Ge\n0.502721 0.490373 0.741471 S\n0.002721 0.509627 0.258529 S\n0.497279 0.509627 0.258529 S\n0.997279 0.490373 0.741471 S\n0.750000 0.922503 0.373190 S\n0.250000 0.077497 0.626810 S\n0.250000 0.095002 0.076885 S\n0.750000 0.904998 0.923115 S\n",
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