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{
"id": "jvasp-100575",
"created_at": "2022-09-04T14:37:04.137388Z",
"updated_at": "2022-09-04T14:37:04.137414Z",
"structure_string": "K2 Na1 Mo1 Br6\n1.0\n6.604685 -0.000000 3.813216\n2.201562 6.226957 3.813216\n0.000000 0.000000 7.626433\nK Na Mo Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.760096 0.239904 0.239904 Br\n0.239904 0.239904 0.760096 Br\n0.239903 0.760097 0.760096 Br\n0.239903 0.760097 0.239904 Br\n0.760096 0.239904 0.760097 Br\n0.760095 0.760097 0.239905 Br\n",
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"structure_string": "Li2 V1 Co3 O8\n1.0\n-2.878598 1.661960 4.700732\n-0.000000 3.323919 -4.700732\n-2.742975 -1.583658 -4.645363\nLi V Co O\n2 1 3 8\ndirect\n0.877129 0.122871 0.631385 Li\n0.122872 0.877128 0.368616 Li\n0.500001 0.500000 0.500000 V\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.737915 0.715767 0.760061 O\n0.737915 0.262086 0.760061 O\n0.263940 0.736060 0.791818 O\n0.284233 0.262086 0.760061 O\n0.715768 0.737914 0.239940 O\n0.736061 0.263939 0.208183 O\n0.262086 0.737914 0.239940 O\n0.262086 0.284232 0.239940 O\n",
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{
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"created_at": "2022-09-04T14:36:54.793863Z",
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"structure_string": "Li2 Fe1 P4 O12\n1.0\n-5.137428 -0.176338 0.203737\n2.644428 6.774678 -0.350405\n-0.774804 -2.791878 -6.528800\nLi Fe P O\n2 1 4 12\ndirect\n0.942143 0.275908 0.437948 Li\n0.057856 0.724091 0.562051 Li\n0.000000 0.000000 0.000000 Fe\n0.550472 0.205758 0.788538 P\n0.438071 0.578106 0.769932 P\n0.561928 0.421893 0.230067 P\n0.449527 0.794241 0.211461 P\n0.300302 0.011987 0.806065 O\n0.590335 0.659175 0.269783 O\n0.749894 0.727459 0.792958 O\n0.247933 0.561716 0.614697 O\n0.752066 0.438283 0.385302 O\n0.699697 0.988012 0.193934 O\n0.409664 0.340824 0.730215 O\n0.307740 0.640832 0.986640 O\n0.692259 0.359167 0.013358 O\n0.774443 0.170464 0.654647 O\n0.250105 0.272540 0.207041 O\n0.225556 0.829535 0.345351 O\n",
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"formula_full": "Li2 Fe1 P4 O12",
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{
"id": "jvasp-43197",
"created_at": "2022-09-04T14:37:02.992721Z",
"updated_at": "2022-09-04T14:37:02.992744Z",
"structure_string": "Li2 Mn1 Cr3 O8\n1.0\n5.753094 -0.026098 -0.018454\n2.853946 4.995375 -0.018454\n2.853946 1.647727 4.715835\nLi Mn Cr O\n2 1 3 8\ndirect\n0.121797 0.121797 0.121797 Li\n0.497026 0.497025 0.497028 Li\n0.879806 0.879804 0.879808 Mn\n0.013601 0.497859 0.497860 Cr\n0.497859 0.013600 0.497860 Cr\n0.497859 0.497859 0.013601 Cr\n0.259958 0.259957 0.259958 O\n0.250804 0.250803 0.716356 O\n0.250804 0.716354 0.250805 O\n0.716354 0.250803 0.250805 O\n0.262494 0.752520 0.752523 O\n0.752521 0.262493 0.752523 O\n0.752521 0.752520 0.262495 O\n0.746597 0.746596 0.746599 O\n",
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"formula_full": "Li2 Mn1 Cr3 O8",
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{
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"created_at": "2022-09-04T14:37:02.994891Z",
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"structure_string": "K2 Tl1 As1 F6\n1.0\n5.686296 -0.000000 3.282985\n1.895432 5.361091 3.282985\n-0.000000 -0.000000 6.565969\nK Tl As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 As\n0.778130 0.221871 0.221870 F\n0.221871 0.221871 0.778129 F\n0.221871 0.778129 0.778129 F\n0.221871 0.778129 0.221870 F\n0.778130 0.221871 0.778129 F\n0.778130 0.778129 0.221869 F\n",
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"formula_full": "K2 Tl1 As1 F6",
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{
"id": "jvasp-47897",
"created_at": "2022-09-04T14:36:50.849869Z",
"updated_at": "2022-09-04T14:36:50.849899Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n2.620807 4.070036 0.000000\n-2.620807 4.070036 0.000000\n0.000000 0.000000 5.943863\nLi Co Si O\n2 2 2 8\ndirect\n0.332030 0.332030 0.750000 Li\n0.667971 0.667971 0.250000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.342170 0.342170 0.250000 Si\n0.657831 0.657831 0.750000 Si\n0.272721 0.771001 0.750000 O\n0.229000 0.727280 0.250000 O\n0.232300 0.232300 0.025157 O\n0.232300 0.232300 0.474842 O\n0.767701 0.767701 0.525157 O\n0.767701 0.767701 0.974842 O\n0.727280 0.229000 0.250000 O\n0.771001 0.272721 0.750000 O\n",
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"volume": 126.80374414124829,
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"formula_full": "Li2 Co2 Si2 O8",
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{
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"created_at": "2022-09-04T14:37:04.457070Z",
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"structure_string": "Li2 Co1 Ni1 O4\n1.0\n2.838251 0.024092 0.026270\n-0.056414 4.735924 1.705158\n-0.046701 0.089136 4.973425\nLi Co Ni O\n2 1 1 4\ndirect\n0.000001 0.500000 0.500000 Li\n0.500000 0.000001 0.500000 Li\n0.500000 0.499999 0.000000 Co\n0.000000 -0.000000 0.000000 Ni\n0.000059 0.729048 0.769104 O\n-0.000057 0.270952 0.230896 O\n0.499986 0.248654 0.786648 O\n0.500015 0.751345 0.213352 O\n",
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{
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"created_at": "2022-09-04T14:36:44.323807Z",
"updated_at": "2022-09-04T14:36:44.323838Z",
"structure_string": "Rb2 Ga1 Au1 I6\n1.0\n7.096423 0.000000 4.097122\n2.365474 6.690572 4.097122\n-0.000000 0.000000 8.194243\nRb Ga Au I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.751055 0.248945 0.248945 I\n0.248944 0.248945 0.751055 I\n0.248944 0.751055 0.751055 I\n0.248944 0.751055 0.248945 I\n0.751055 0.248945 0.751055 I\n0.751055 0.751055 0.248945 I\n",
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{
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"created_at": "2022-09-04T14:37:03.019035Z",
"updated_at": "2022-09-04T14:37:03.019060Z",
"structure_string": "Ba2 Y4 Pd2 O10\n1.0\n6.555819 -0.000000 0.000000\n-0.000000 6.555819 -0.000000\n0.000000 -0.000000 5.895314\nBa Y Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.673370 0.826630 0.500000 Y\n0.826630 0.326630 0.500000 Y\n0.173370 0.673370 0.500000 Y\n0.326630 0.173370 0.500000 Y\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.640514 0.140514 0.259539 O\n0.859486 0.640514 0.259539 O\n0.359486 0.859486 0.740461 O\n0.640514 0.140514 0.740461 O\n0.500000 0.500000 0.500000 O\n0.140514 0.359486 0.740461 O\n0.000000 0.000000 0.500000 O\n0.140514 0.359486 0.259539 O\n0.859486 0.640514 0.740461 O\n0.359486 0.859486 0.259539 O\n",
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"structure_string": "Ca2 Cr2 Ge4 O12\n1.0\n5.381517 -0.120749 1.074612\n1.214935 6.667994 0.837243\n-0.127878 0.127123 6.826908\nCa Cr Ge O\n2 2 4 12\ndirect\n0.750001 0.308843 0.691156 Ca\n0.250001 0.691155 0.308844 Ca\n0.750001 0.911838 0.088160 Cr\n0.250000 0.088161 0.911839 Cr\n0.776511 0.387321 0.183639 Ge\n0.723491 0.816360 0.612678 Ge\n0.223490 0.612678 0.816361 Ge\n0.276511 0.183639 0.387322 Ge\n0.625434 0.982934 0.804956 O\n0.874568 0.195043 0.017064 O\n0.649068 0.637093 0.103850 O\n0.850934 0.896149 0.362906 O\n0.350933 0.362906 0.896150 O\n0.969137 0.603290 0.676778 O\n0.030864 0.396709 0.323222 O\n0.469137 0.676778 0.603290 O\n0.125434 0.804956 0.982935 O\n0.530865 0.323221 0.396709 O\n0.149067 0.103850 0.637094 O\n0.374567 0.017065 0.195043 O\n",
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"structure_string": "Ba1 Ca1 Mn4 O8\n1.0\n2.745411 -4.755191 0.000000\n2.745411 4.755191 0.000000\n-0.000000 -0.000000 7.599748\nBa Ca Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.755268 Mn\n0.666667 0.333333 0.755268 Mn\n0.333333 0.666667 0.244732 Mn\n0.666667 0.333333 0.244732 Mn\n0.328676 0.328676 0.699368 O\n0.671324 -0.000000 0.699368 O\n-0.000000 0.671324 0.699368 O\n0.671324 0.671324 0.300632 O\n-0.000000 0.328676 0.300632 O\n0.328676 -0.000000 0.300632 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:55.952263Z",
"updated_at": "2022-09-04T14:36:55.952287Z",
"structure_string": "Ce1 Th1 C1 N1\n1.0\n3.716196 0.000000 0.000000\n0.000000 3.716196 0.000000\n0.000000 0.000000 5.159973\nCe Th C N\n1 1 1 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.500001 0.500001 -0.000000 Th\n0.000000 0.000000 0.000000 C\n0.500001 0.500001 0.500000 N\n",
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}