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{
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{
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{
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"structure_string": "Sr1 Zn1 Sn1 W1 O6\n1.0\n-0.000000 -4.036604 -4.036604\n4.036604 0.000000 -4.036604\n4.036604 -4.036604 0.000000\nSr Zn Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 Zn\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.741173 0.258827 0.258827 O\n0.258827 0.741173 0.741173 O\n0.741173 0.258827 0.741173 O\n0.258827 0.741173 0.258827 O\n0.741173 0.741173 0.258827 O\n0.258827 0.258827 0.741173 O\n",
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{
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"structure_string": "Sr1 Ca1 Eu1 Sb1 O6\n1.0\n0.000000 -4.221802 -4.221802\n4.221802 0.000000 -4.221802\n4.221802 -4.221802 0.000000\nSr Ca Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Sb\n0.735287 0.264713 0.264713 O\n0.264713 0.735287 0.735287 O\n0.735287 0.264713 0.735287 O\n0.264713 0.735287 0.264713 O\n0.735287 0.735287 0.264713 O\n0.264713 0.264713 0.735287 O\n",
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{
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"structure_string": "Sr1 Gd1 Fe1 Co1 O6\n1.0\n0.000000 3.832494 3.832494\n3.832494 0.000000 3.832494\n3.832494 3.832494 0.000000\nSr Gd Fe Co O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Gd\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Co\n0.244189 0.244189 0.755811 O\n0.755811 0.755811 0.244189 O\n0.755811 0.244189 0.244189 O\n0.244189 0.755811 0.755811 O\n0.755811 0.244189 0.755811 O\n0.244189 0.755811 0.244189 O\n",
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{
"id": "mp-649091",
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"structure_string": "Mo8 P8 N8 Cl48 O8\n1.0\n15.138501 0.000000 0.000000\n0.000000 12.075178 0.000000\n0.000000 6.781195 12.175704\nMo P N Cl O\n8 8 8 48 8\ndirect\n0.983708 0.751313 0.056913 Mo\n0.675469 0.015670 0.517963 Mo\n0.324531 0.984330 0.482037 Mo\n0.483708 0.248687 0.443087 Mo\n0.175469 0.984330 0.982037 Mo\n0.516292 0.751313 0.556913 Mo\n0.016292 0.248687 0.943087 Mo\n0.824531 0.015670 0.017963 Mo\n0.118497 0.780005 0.531990 P\n0.263687 0.424642 0.423536 P\n0.618497 0.219995 0.968010 P\n0.881503 0.219995 0.468010 P\n0.736313 0.575358 0.576464 P\n0.763687 0.575358 0.076464 P\n0.381503 0.780005 0.031990 P\n0.236313 0.424642 0.923536 P\n0.578275 0.161793 0.473595 N\n0.396311 0.100921 0.465300 N\n0.078275 0.838207 0.026405 N\n0.921725 0.161793 0.973595 N\n0.603689 0.899079 0.534700 N\n0.896311 0.899079 0.034700 N\n0.103689 0.100921 0.965300 N\n0.421725 0.838207 0.526405 N\n0.305686 0.101077 0.936301 Cl\n0.563938 0.182847 0.855823 Cl\n0.704610 0.406293 0.593093 Cl\n0.533218 0.450310 0.397659 Cl\n0.159414 0.994775 0.811117 Cl\n0.287080 0.326990 0.074675 Cl\n0.095998 0.594959 0.589628 Cl\n0.795390 0.406293 0.093093 Cl\n0.807769 0.110151 0.828558 Cl\n0.443252 0.193186 0.623070 Cl\n0.966782 0.450310 0.897659 Cl\n0.162719 0.459480 0.320572 Cl\n0.307769 0.889849 0.671442 Cl\n0.404002 0.594959 0.089628 Cl\n0.840586 0.005225 0.188883 Cl\n0.466782 0.549690 0.602341 Cl\n0.787080 0.673010 0.425325 Cl\n0.436062 0.817153 0.144177 Cl\n0.194314 0.101077 0.436301 Cl\n0.958405 0.132329 0.600666 Cl\n0.204610 0.593707 0.906907 Cl\n0.556748 0.806814 0.376930 Cl\n0.662719 0.540520 0.179428 Cl\n0.063938 0.817153 0.644177 Cl\n0.033218 0.549690 0.102341 Cl\n0.904002 0.405041 0.410372 Cl\n0.692231 0.110151 0.328558 Cl\n0.472604 0.295517 0.258680 Cl\n0.694314 0.898923 0.063699 Cl\n0.295390 0.593707 0.406907 Cl\n0.212920 0.326990 0.574675 Cl\n0.659414 0.005225 0.688883 Cl\n0.712920 0.673010 0.925325 Cl\n0.340586 0.994775 0.311117 Cl\n0.527396 0.704483 0.741320 Cl\n0.936062 0.182847 0.355823 Cl\n0.027396 0.295517 0.758680 Cl\n0.805686 0.898923 0.563699 Cl\n0.192231 0.889849 0.171442 Cl\n0.972604 0.704483 0.241320 Cl\n0.837281 0.540520 0.679428 Cl\n0.458405 0.867671 0.899334 Cl\n0.056748 0.193186 0.123070 Cl\n0.541595 0.132329 0.100666 Cl\n0.943252 0.806814 0.876930 Cl\n0.595998 0.405041 0.910372 Cl\n0.041595 0.867671 0.399334 Cl\n0.337281 0.459480 0.820572 Cl\n0.337965 0.360416 0.401177 O\n0.837965 0.639584 0.098823 O\n0.162035 0.360416 0.901177 O\n0.213506 0.811901 0.511246 O\n0.786494 0.188099 0.488754 O\n0.713506 0.188099 0.988754 O\n0.662035 0.639584 0.598823 O\n0.286494 0.811901 0.011246 O\n",
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{
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"structure_string": "Ba4 Tb4 Nb4 Sn4 O24\n1.0\n8.452509 0.000000 0.000000\n0.000000 8.500789 0.000000\n0.000000 0.000000 8.456161\nBa Tb Nb Sn O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.250261 0.254940 0.245098 Tb\n0.749739 0.745060 0.245098 Tb\n0.749739 0.254940 0.754902 Tb\n0.250261 0.745060 0.754902 Tb\n0.753579 0.745877 0.750304 Nb\n0.246421 0.254123 0.750304 Nb\n0.246421 0.745877 0.249696 Nb\n0.753579 0.254123 0.249696 Nb\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.986031 0.215243 0.269929 O\n0.013969 0.784757 0.269929 O\n0.013969 0.215243 0.730071 O\n0.986031 0.784757 0.730071 O\n0.283709 0.983937 0.213278 O\n0.283709 0.016063 0.786722 O\n0.716291 0.016063 0.213278 O\n0.716291 0.983937 0.786722 O\n0.208978 0.290555 0.984743 O\n0.791022 0.290555 0.015257 O\n0.208978 0.709445 0.015257 O\n0.791022 0.709445 0.984743 O\n0.516270 0.293237 0.216199 O\n0.483730 0.706763 0.216199 O\n0.483730 0.293237 0.783801 O\n0.516270 0.706763 0.783801 O\n0.214157 0.513988 0.292675 O\n0.214157 0.486012 0.707325 O\n0.785843 0.486012 0.292675 O\n0.785843 0.513988 0.707325 O\n0.277193 0.224309 0.514976 O\n0.722807 0.224309 0.485024 O\n0.277193 0.775691 0.485024 O\n0.722807 0.775691 0.514976 O\n",
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"elements": [
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"formula_full": "La4 Mg4 Ti4 Fe4 O24",
"formula_reduced": "LaMgTiFeO6",
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"updated_at": "2021-11-28T01:35:38.816000Z",
"spacegroup": 7
},
{
"id": "mp-1521000",
"created_at": "2022-09-04T14:39:19.581817Z",
"structure_string": "Ba4 Sr4 Ce4 Zr4 O24\n1.0\n8.603131 0.000000 0.000000\n0.000000 8.611446 0.000000\n0.000000 0.000000 8.619080\nBa Sr Ce Zr O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.750022 0.752790 0.750451 Ce\n0.249978 0.247210 0.750451 Ce\n0.249978 0.752790 0.249550 Ce\n0.750022 0.247210 0.249550 Ce\n0.249878 0.246903 0.249469 Zr\n0.750122 0.753097 0.249469 Zr\n0.750122 0.246903 0.750531 Zr\n0.249878 0.753097 0.750531 Zr\n0.007639 0.209490 0.286041 O\n0.992361 0.790510 0.286041 O\n0.992361 0.209490 0.713959 O\n0.007639 0.790510 0.713959 O\n0.285444 0.006694 0.208900 O\n0.285444 0.993306 0.791100 O\n0.714556 0.993306 0.208900 O\n0.714556 0.006694 0.791100 O\n0.209915 0.282398 0.007631 O\n0.790085 0.282398 0.992369 O\n0.209915 0.717602 0.992369 O\n0.790085 0.717602 0.007631 O\n0.493388 0.276055 0.222964 O\n0.506612 0.723945 0.222964 O\n0.506612 0.276055 0.777036 O\n0.493388 0.723945 0.777036 O\n0.225416 0.492213 0.277820 O\n0.225416 0.507787 0.722180 O\n0.774584 0.507787 0.277820 O\n0.774584 0.492213 0.722180 O\n0.285433 0.214517 0.492648 O\n0.714567 0.214517 0.507352 O\n0.285433 0.785483 0.507352 O\n0.714567 0.785483 0.492648 O\n",
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"elements": [
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"density_atomic": 0.06264212200434409,
"volume": 638.5479725164178,
"volume_molar": 9.613564431266198,
"formula_full": "Ba4 Sr4 Ce4 Zr4 O24",
"formula_reduced": "BaSrCeZrO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:34:42.921000Z",
"spacegroup": 16
},
{
"id": "mp-20156",
"created_at": "2022-09-04T14:42:06.530388Z",
"structure_string": "Na2 Nd2 Mn2 W2 O12\n1.0\n5.705781 0.000000 0.000000\n0.000000 5.584638 0.000000\n0.000000 0.013742 8.071377\nNa Nd Mn W O\n2 2 2 2 12\ndirect\n0.783980 0.251543 0.000819 Na\n0.283980 0.748457 0.999181 Na\n0.705522 0.238517 0.500765 Nd\n0.205522 0.761483 0.499235 Nd\n0.752434 0.748899 0.238892 Mn\n0.252434 0.251101 0.761108 Mn\n0.760048 0.742953 0.759184 W\n0.260048 0.257047 0.240816 W\n0.228393 0.167264 0.018912 O\n0.728393 0.832736 0.981088 O\n0.289060 0.345343 0.491733 O\n0.789060 0.654657 0.508267 O\n0.555871 0.420580 0.217480 O\n0.055871 0.579420 0.782520 O\n0.583218 0.454851 0.776545 O\n0.083218 0.545149 0.223455 O\n0.490149 0.943702 0.687078 O\n0.990149 0.056298 0.312922 O\n0.958725 0.024697 0.688206 O\n0.458725 0.975303 0.311794 O\n",
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],
"chemical_system": "Mn-Na-Nd-O-W",
"density": 6.482319428000064,
"density_atomic": 0.07776286219121577,
"volume": 257.19217935704063,
"volume_molar": 7.744237532296325,
"formula_full": "Na2 Nd2 Mn2 W2 O12",
"formula_reduced": "NaNdMnWO6",
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]
}