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{
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{
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"volume": 300.67646819618926,
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"formula_full": "Li8 Cr2 Fe6 O16",
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{
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"structure_string": "V12 B4 O24\n1.0\n4.493374 0.000000 0.000000\n0.000000 8.718329 0.000000\n0.000000 0.000000 10.312610\nV B O\n12 4 24\ndirect\n0.467941 0.750000 0.093984 V\n0.979236 0.070159 0.128892 V\n0.979236 0.429841 0.128892 V\n0.479236 0.570159 0.371108 V\n0.479236 0.929841 0.371108 V\n0.967941 0.250000 0.406016 V\n0.032059 0.750000 0.593984 V\n0.520764 0.070159 0.628892 V\n0.520764 0.429841 0.628892 V\n0.020764 0.570159 0.871108 V\n0.020764 0.929841 0.871108 V\n0.532059 0.250000 0.906016 V\n0.408974 0.250000 0.219281 B\n0.908974 0.750000 0.280719 B\n0.091026 0.250000 0.719281 B\n0.591026 0.750000 0.780719 B\n0.234724 0.581977 0.031374 O\n0.234724 0.918023 0.031374 O\n0.272750 0.250000 0.085613 O\n0.768170 0.888381 0.214560 O\n0.768170 0.611619 0.214560 O\n0.730653 0.250000 0.221791 O\n0.230653 0.750000 0.278209 O\n0.268170 0.111619 0.285440 O\n0.268170 0.388381 0.285440 O\n0.772750 0.750000 0.414387 O\n0.734724 0.081977 0.468626 O\n0.734724 0.418023 0.468626 O\n0.265276 0.581977 0.531374 O\n0.265276 0.918023 0.531374 O\n0.227250 0.250000 0.585613 O\n0.731830 0.611619 0.714560 O\n0.731830 0.888381 0.714560 O\n0.769347 0.250000 0.721791 O\n0.269347 0.750000 0.778209 O\n0.231830 0.111619 0.785440 O\n0.231830 0.388381 0.785440 O\n0.727250 0.750000 0.914387 O\n0.765276 0.081977 0.968626 O\n0.765276 0.418023 0.968626 O\n",
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"formula_full": "V12 B4 O24",
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{
"id": "mp-546552",
"created_at": "2022-09-04T14:45:54.365434Z",
"structure_string": "K1 Cr1 O2\n1.0\n6.073294 -1.561887 0.000000\n6.073294 1.561887 0.000000\n5.671619 0.000000 2.675282\nK Cr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cr\n0.776292 0.776292 0.776292 O\n0.223708 0.223708 0.223708 O\n",
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"volume": 50.754374350517715,
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"formula_full": "K1 Cr1 O2",
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"updated_at": "2021-11-28T01:37:15.248000Z",
"spacegroup": 166
},
{
"id": "mp-1027594",
"created_at": "2022-09-04T14:45:54.455183Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n1.611087 -2.790484 0.000000\n1.611087 2.790484 0.000000\n0.000000 0.000000 36.390907\nMo W Se S\n2 2 2 6\ndirect\n0.000000 0.000000 0.093923 Mo\n0.333333 0.666667 0.281787 Mo\n0.000000 0.000000 0.469656 W\n0.333333 0.666667 0.657551 W\n0.333333 0.666667 0.422391 Se\n0.333333 0.666667 0.516925 Se\n0.000000 0.000000 0.324519 S\n0.000000 0.000000 0.700449 S\n0.333333 0.666667 0.051167 S\n0.333333 0.666667 0.136674 S\n0.000000 0.000000 0.239050 S\n0.000000 0.000000 0.614656 S\n",
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"formula_full": "Mo2 W2 Se2 S6",
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{
"id": "mp-626268",
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"structure_string": "Ba2 H32 O20\n1.0\n4.605784 4.604469 0.000000\n-4.605784 4.604469 0.000000\n0.000000 0.004017 11.364858\nBa H O\n2 32 20\ndirect\n0.998137 0.001863 0.750000 Ba\n0.001863 0.998137 0.250000 Ba\n0.725250 0.597941 0.651873 H\n0.853008 0.665462 0.537614 H\n0.282854 0.405410 0.643070 H\n0.044483 0.460489 0.628070 H\n0.406291 0.728124 0.651747 H\n0.334211 0.854001 0.538181 H\n0.540509 0.046002 0.627694 H\n0.597742 0.284178 0.643530 H\n0.284178 0.597742 0.143530 H\n0.046002 0.540509 0.127694 H\n0.728124 0.406291 0.151747 H\n0.854001 0.334211 0.038181 H\n0.597941 0.725250 0.151873 H\n0.665462 0.853008 0.037614 H\n0.405410 0.282854 0.143070 H\n0.460489 0.044483 0.128070 H\n0.274750 0.402059 0.348127 H\n0.146992 0.334538 0.462386 H\n0.717146 0.594590 0.356930 H\n0.955517 0.539511 0.371930 H\n0.593709 0.271876 0.348253 H\n0.665789 0.145999 0.461819 H\n0.459491 0.953998 0.372306 H\n0.402258 0.715822 0.356470 H\n0.953998 0.459491 0.872306 H\n0.715822 0.402258 0.856470 H\n0.271876 0.593709 0.848253 H\n0.145999 0.665789 0.961819 H\n0.402059 0.274750 0.848127 H\n0.334538 0.146992 0.962386 H\n0.539511 0.955517 0.871930 H\n0.594590 0.717146 0.856930 H\n0.502996 0.504355 0.684335 O\n0.504355 0.502996 0.184335 O\n0.497004 0.495645 0.315665 O\n0.495645 0.497004 0.815665 O\n0.862885 0.656476 0.625012 O\n0.145150 0.345177 0.618883 O\n0.344398 0.864308 0.625431 O\n0.656102 0.146151 0.618075 O\n0.146151 0.656102 0.118075 O\n0.864308 0.344398 0.125431 O\n0.656476 0.862885 0.125012 O\n0.345177 0.145150 0.118883 O\n0.137115 0.343524 0.374988 O\n0.854850 0.654823 0.381117 O\n0.655602 0.135692 0.374569 O\n0.343898 0.853849 0.381925 O\n0.853849 0.343898 0.881925 O\n0.135692 0.655602 0.874569 O\n0.343524 0.137115 0.874988 O\n0.654823 0.854850 0.881117 O\n",
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{
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"structure_string": "Ca2 Mo2 N6\n1.0\n1.854946 6.245121 0.000000\n-1.854946 6.245121 0.000000\n0.000000 1.655739 6.207659\nCa Mo N\n2 2 6\ndirect\n0.623930 0.623930 0.668650 Ca\n0.376070 0.376070 0.331350 Ca\n0.848130 0.848130 0.857150 Mo\n0.151870 0.151870 0.142850 Mo\n0.321090 0.321090 0.988530 N\n0.156180 0.156180 0.418670 N\n0.999920 0.999920 0.105620 N\n0.000080 0.000080 0.894380 N\n0.678910 0.678910 0.011470 N\n0.843820 0.843820 0.581330 N\n",
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{
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"created_at": "2022-09-04T14:45:54.194556Z",
"structure_string": "Sr2 Pr2 Mg1 Fe2 Ru2 O12\n1.0\n0.046885 -5.654546 0.307623\n-5.534458 0.048148 0.014774\n0.002511 0.411913 -8.939256\nSr Pr Mg Fe Ru O\n2 2 1 2 2 12\ndirect\n0.424761 0.516970 0.788418 Sr\n0.994129 0.019809 0.235059 Sr\n0.893951 0.030277 0.831823 Pr\n0.474212 0.478939 0.248258 Pr\n0.215237 0.021991 0.593283 Mg\n0.967756 0.520204 0.044669 Fe\n0.611997 0.970987 0.460625 Fe\n0.048987 0.502697 0.483540 Ru\n0.459439 0.996128 0.008785 Ru\n0.046275 0.335301 0.682886 O\n0.464482 0.048587 0.773836 O\n0.037609 0.586204 0.254731 O\n0.500949 0.908723 0.236912 O\n0.261288 0.233202 0.421138 O\n0.729107 0.252892 0.039564 O\n0.700975 0.734530 0.984642 O\n0.355438 0.706565 0.518314 O\n0.902205 0.825810 0.580729 O\n0.178033 0.761230 0.959892 O\n0.219331 0.264361 0.034811 O\n0.763836 0.296498 0.418090 O\n",
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{
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"structure_string": "Ca2 Cu2 P2\n1.0\n2.019023 -3.497051 0.000000\n2.019023 3.497051 0.000000\n0.000000 0.000000 7.889974\nCa Cu P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n",
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{
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}