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{
"id": "mp-754236",
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{
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{
"id": "mp-1218879",
"created_at": "2022-09-04T14:48:08.622464Z",
"structure_string": "Sr4 Al4 Si2 O14\n1.0\n7.912567 0.000000 0.000000\n0.000000 5.327881 0.000000\n0.000000 0.009029 7.927193\nSr Al Si O\n4 4 2 14\ndirect\n0.840054 0.513110 0.078343 Sr\n0.340054 0.486890 0.921657 Sr\n0.164703 0.509759 0.402152 Sr\n0.664703 0.490241 0.597848 Sr\n0.499867 0.999945 0.250040 Al\n0.999867 0.000055 0.749960 Al\n0.642114 0.966221 0.892245 Al\n0.142114 0.033779 0.107755 Al\n0.358422 0.960016 0.608016 Si\n0.858422 0.039984 0.391984 Si\n0.992664 0.162230 0.254523 O\n0.492664 0.837770 0.745477 O\n0.641153 0.290603 0.887253 O\n0.141153 0.709397 0.112747 O\n0.358103 0.263383 0.604415 O\n0.858103 0.736617 0.395585 O\n0.582723 0.814923 0.085037 O\n0.082723 0.185077 0.914963 O\n0.413756 0.825677 0.426089 O\n0.913756 0.174323 0.573911 O\n0.673889 0.171343 0.341547 O\n0.173889 0.828657 0.658453 O\n0.332550 0.188142 0.173282 O\n0.832550 0.811858 0.826718 O\n",
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"elements": [
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"formula_full": "Sr4 Al4 Si2 O14",
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{
"id": "mp-1222990",
"created_at": "2022-09-04T14:48:08.628390Z",
"structure_string": "La4 Mg1\n1.0\n-2.694409 -1.906910 1.906910\n-2.694409 1.906910 -1.906910\n2.694409 -8.427043 -8.427043\nLa Mg\n4 1\ndirect\n0.588415 0.588415 0.176830 La\n0.193867 0.193867 0.387734 La\n0.806133 0.806133 0.612266 La\n0.411585 0.411585 0.823170 La\n0.000000 0.000000 0.000000 Mg\n",
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"formula_full": "La4 Mg1",
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"updated_at": "2021-11-28T01:38:28.914000Z",
"spacegroup": 139
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{
"id": "mp-10967",
"created_at": "2022-09-04T14:48:08.635649Z",
"structure_string": "Cd1 Cu2 Ge1 Se4\n1.0\n-2.917194 2.917194 5.617492\n2.917194 -2.917194 5.617492\n2.917194 2.917194 -5.617492\nCd Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.404615 0.867695 0.000000 Se\n0.595385 0.595385 0.463081 Se\n0.132305 0.132305 0.536919 Se\n0.867695 0.404615 0.000000 Se\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cd-Cu-Ge-Se",
"density": 5.453356724399745,
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"formula_full": "Cd1 Cu2 Ge1 Se4",
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"formula_anonymous": "ABC2D4",
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},
{
"id": "mp-1219822",
"created_at": "2022-09-04T14:48:08.635584Z",
"structure_string": "Ni7 Sn8\n1.0\n0.000000 4.088433 0.000000\n0.026923 0.000000 5.257998\n12.250452 0.000000 2.287320\nNi Sn\n7 8\ndirect\n0.500000 0.372267 0.291013 Ni\n0.000000 0.873419 0.785676 Ni\n0.000000 0.126581 0.214324 Ni\n0.500000 0.627733 0.708987 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.857607 0.331830 Sn\n0.000000 0.353500 0.816711 Sn\n0.000000 0.646500 0.183289 Sn\n0.500000 0.142393 0.668170 Sn\n0.500000 0.220698 0.079613 Sn\n0.000000 0.742496 0.569661 Sn\n0.000000 0.257504 0.430339 Sn\n0.500000 0.779302 0.920387 Sn\n",
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"elements": [
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],
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"density": 8.587058499745128,
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"volume": 263.09585830780196,
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"formula_full": "Ni7 Sn8",
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{
"id": "mp-567472",
"created_at": "2022-09-04T14:48:08.654235Z",
"structure_string": "Cu12 P48 I12\n1.0\n13.957393 0.000000 0.000000\n0.000000 9.841236 0.000000\n0.000000 4.309782 12.443573\nCu P I\n12 48 12\ndirect\n0.040432 0.790791 0.848086 Cu\n0.107630 0.005744 0.076439 Cu\n0.317403 0.904401 0.938738 Cu\n0.763684 0.795083 0.709938 Cu\n0.540432 0.209209 0.151914 Cu\n0.817403 0.095599 0.061262 Cu\n0.213716 0.789022 0.512312 Cu\n0.489721 0.793583 0.642266 Cu\n0.989721 0.206417 0.357734 Cu\n0.607630 0.994256 0.923561 Cu\n0.263684 0.204917 0.290062 Cu\n0.713716 0.210978 0.487688 Cu\n0.118991 0.589323 0.558237 P\n0.393562 0.308374 0.511928 P\n0.060174 0.385858 0.902542 P\n0.197164 0.385437 0.652181 P\n0.730045 0.450469 0.662516 P\n0.798234 0.675884 0.031421 P\n0.344697 0.467047 0.590305 P\n0.135085 0.590726 0.898384 P\n0.994500 0.307741 0.174764 P\n0.522856 0.456303 0.859979 P\n0.912376 0.466729 0.923518 P\n0.171431 0.563944 0.068367 P\n0.494500 0.692259 0.825236 P\n0.281378 0.546402 0.850677 P\n0.363237 0.695277 0.922251 P\n0.719353 0.667008 0.881616 P\n0.473428 0.458633 0.369961 P\n0.807698 0.349619 0.553757 P\n0.219353 0.332992 0.118384 P\n0.230045 0.549531 0.337484 P\n0.091917 0.233464 0.070465 P\n0.863237 0.304723 0.077749 P\n0.037709 0.330038 0.467663 P\n0.560174 0.614142 0.097458 P\n0.844697 0.532953 0.409695 P\n0.591917 0.766536 0.929535 P\n0.412376 0.533271 0.076482 P\n0.167073 0.231403 0.560003 P\n0.973428 0.541367 0.630039 P\n0.455829 0.681026 0.379578 P\n0.581672 0.435920 0.598102 P\n0.307698 0.650381 0.446243 P\n0.947142 0.648745 0.981072 P\n0.022856 0.543697 0.140021 P\n0.618991 0.410677 0.441763 P\n0.955829 0.318974 0.620422 P\n0.671431 0.436056 0.931633 P\n0.635085 0.409274 0.101616 P\n0.537709 0.669962 0.532337 P\n0.447142 0.351255 0.018928 P\n0.260329 0.314348 0.417702 P\n0.298234 0.324116 0.968579 P\n0.760329 0.685652 0.582298 P\n0.081672 0.564080 0.401898 P\n0.781378 0.453598 0.149323 P\n0.667073 0.768597 0.439997 P\n0.893562 0.691626 0.488072 P\n0.697164 0.614563 0.347819 P\n0.941286 0.896783 0.675099 I\n0.814715 0.103896 0.369721 I\n0.281954 0.901768 0.137733 I\n0.138727 0.003014 0.871915 I\n0.441286 0.103217 0.324901 I\n0.638727 0.996986 0.128085 I\n0.441321 0.110647 0.846909 I\n0.941321 0.889353 0.153091 I\n0.314715 0.896104 0.630279 I\n0.626530 0.997391 0.633095 I\n0.781954 0.098232 0.862267 I\n0.126530 0.002609 0.366905 I\n",
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],
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"density": 3.664701131638503,
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"volume": 1709.2242809428749,
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"formula_full": "Cu12 P48 I12",
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},
{
"id": "mp-1210524",
"created_at": "2022-09-04T14:48:08.655968Z",
"structure_string": "Lu10 Sb2 Pt4\n1.0\n-3.785530 3.785530 6.775953\n3.785530 -3.785530 6.775953\n3.785530 3.785530 -6.775953\nLu Sb Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.798557 0.298557 0.820431 Lu\n0.201443 0.701443 0.179569 Lu\n0.478126 0.978126 0.179569 Lu\n0.298557 0.478126 0.500000 Lu\n0.021874 0.201443 0.500000 Lu\n0.521874 0.021874 0.820431 Lu\n0.701443 0.521874 0.500000 Lu\n0.978126 0.798557 0.500000 Lu\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.136927 0.636927 0.773853 Pt\n0.863073 0.363073 0.226147 Pt\n0.636927 0.863073 0.500000 Pt\n0.363073 0.136927 0.500000 Pt\n",
"nsites": 16,
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"elements": [
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"density": 11.857621355882198,
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"volume": 388.404059887286,
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"spacegroup": 140
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{
"id": "mp-1209498",
"created_at": "2022-09-04T14:48:08.658184Z",
"structure_string": "Rb4 P44\n1.0\n9.796475 0.000000 0.000000\n0.000000 6.868002 0.000000\n0.000000 1.260552 18.721642\nRb P\n4 44\ndirect\n0.474779 0.930053 0.672427 Rb\n0.525221 0.069947 0.327573 Rb\n0.974779 0.069947 0.327573 Rb\n0.025221 0.930053 0.672427 Rb\n0.403946 0.844342 0.086430 P\n0.596054 0.155658 0.913570 P\n0.903946 0.155658 0.913570 P\n0.096054 0.844342 0.086430 P\n0.750000 0.796286 0.220437 P\n0.250000 0.203714 0.779563 P\n0.910671 0.681433 0.060936 P\n0.089329 0.318567 0.939064 P\n0.410671 0.318567 0.939064 P\n0.589329 0.681433 0.060936 P\n0.750000 0.751055 0.464200 P\n0.250000 0.248945 0.535800 P\n0.750000 0.352629 0.956943 P\n0.250000 0.647371 0.043057 P\n0.367335 0.776648 0.203037 P\n0.632665 0.223352 0.796963 P\n0.867335 0.223352 0.796963 P\n0.132665 0.776648 0.203037 P\n0.750000 0.737585 0.579623 P\n0.250000 0.262415 0.420377 P\n0.750000 0.869932 0.106755 P\n0.250000 0.130068 0.893245 P\n0.909575 0.543534 0.430113 P\n0.090425 0.456466 0.569887 P\n0.409575 0.456466 0.569887 P\n0.590425 0.543534 0.430113 P\n0.750000 0.482270 0.217049 P\n0.250000 0.517730 0.782951 P\n0.750000 0.623106 0.875718 P\n0.250000 0.376894 0.124282 P\n0.404509 0.454326 0.203350 P\n0.595491 0.545674 0.796650 P\n0.904509 0.545674 0.796650 P\n0.095491 0.454326 0.203350 P\n0.409925 0.686717 0.477045 P\n0.590075 0.313283 0.522955 P\n0.909925 0.313283 0.522955 P\n0.090075 0.686717 0.477045 P\n0.912590 0.414585 0.137848 P\n0.087410 0.585415 0.862152 P\n0.412590 0.585415 0.862152 P\n0.587410 0.414585 0.137848 P\n0.750000 0.422791 0.594910 P\n0.250000 0.577209 0.405090 P\n",
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{
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{
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"structure_string": "H8 Se4 O16\n1.0\n4.711271 0.000000 0.000000\n0.000000 8.439679 0.000000\n0.000000 0.000000 9.093174\nH Se O\n8 4 16\ndirect\n0.173300 0.279269 0.293000 H\n0.673300 0.220731 0.707000 H\n0.826700 0.779269 0.207000 H\n0.326700 0.720731 0.793000 H\n0.734201 0.540394 0.485480 H\n0.234201 0.959606 0.514520 H\n0.265799 0.040394 0.014520 H\n0.765799 0.459606 0.985480 H\n0.176891 0.537853 0.379006 Se\n0.323109 0.462147 0.879006 Se\n0.823109 0.037853 0.120994 Se\n0.676891 0.962147 0.620994 Se\n0.822618 0.143151 0.670478 O\n0.177382 0.643151 0.829522 O\n0.677382 0.856849 0.170478 O\n0.970054 0.125329 0.262482 O\n0.029946 0.625329 0.237518 O\n0.529946 0.874671 0.762482 O\n0.556825 0.128810 0.041006 O\n0.470054 0.374671 0.737518 O\n0.443175 0.628810 0.458994 O\n0.943175 0.871190 0.541006 O\n0.576071 0.514627 0.009181 O\n0.056825 0.371190 0.958994 O\n0.923929 0.485373 0.509181 O\n0.423929 0.014627 0.490819 O\n0.076071 0.985373 0.990819 O\n0.322618 0.356849 0.329522 O\n",
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{
"id": "mp-571581",
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"structure_string": "Sm4 Sn4 Pd4\n1.0\n4.708705 0.000000 0.000000\n0.000000 7.405089 0.000000\n0.000000 0.000000 8.019994\nSm Sn Pd\n4 4 4\ndirect\n0.750000 0.510198 0.794672 Sm\n0.750000 0.010198 0.705328 Sm\n0.250000 0.989802 0.294672 Sm\n0.250000 0.489802 0.205328 Sm\n0.750000 0.191840 0.087311 Sn\n0.750000 0.691840 0.412689 Sn\n0.250000 0.808160 0.912689 Sn\n0.250000 0.308160 0.587311 Sn\n0.750000 0.797229 0.083355 Pd\n0.250000 0.202771 0.916645 Pd\n0.750000 0.297229 0.416645 Pd\n0.250000 0.702771 0.583355 Pd\n",
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"formula_full": "Sm4 Sn4 Pd4",
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]
}