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{
"id": "jvasp-3459",
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{
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{
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"structure_string": "Ga1 Ag1 Se2\n1.0\n4.007063 0.000000 0.000000\n0.000000 4.007063 0.000000\n0.000000 -0.000000 6.361776\nGa Ag Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n-0.000000 0.500000 0.271962 Se\n0.500000 0.000000 0.728039 Se\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:38:47.408044Z",
"updated_at": "2022-09-04T14:38:47.408071Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.331387 -0.035664 -1.973746\n-2.541063 4.665924 -2.023065\n-0.015467 0.035664 5.684991\nLi Mn F\n4 2 8\ndirect\n0.748709 0.001869 0.253160 Li\n0.748708 0.495548 0.746839 Li\n0.745563 0.498713 0.246850 Li\n0.251862 0.498712 0.753149 Li\n0.369979 0.869978 0.500000 Mn\n0.119867 0.119867 0.000000 Mn\n0.463466 0.661809 0.198344 F\n0.463465 0.265121 0.801655 F\n0.036317 0.340075 0.303758 F\n0.036317 0.732558 0.696242 F\n0.515107 0.213443 0.301663 F\n0.590107 0.786340 0.803766 F\n0.982576 0.786341 0.196234 F\n0.911780 0.213443 0.698336 F\n",
"nsites": 14,
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"spacegroup": 141
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{
"id": "jvasp-117590",
"created_at": "2022-09-04T14:38:53.375068Z",
"updated_at": "2022-09-04T14:38:53.375100Z",
"structure_string": "Ba1 O1 F1\n1.0\n4.942433 0.000000 0.000000\n0.000000 4.942433 0.000000\n0.000000 -0.000000 7.274732\nBa O F\n1 1 1\ndirect\n0.000000 0.000000 0.362891 Ba\n0.000000 0.000000 0.663996 O\n0.000000 0.000000 0.049702 F\n",
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{
"id": "jvasp-110940",
"created_at": "2022-09-04T14:38:48.221631Z",
"updated_at": "2022-09-04T14:38:48.221657Z",
"structure_string": "La4 Cu4 I2\n1.0\n4.262148 -0.000000 0.000000\n-2.131075 3.691128 0.000000\n0.000000 0.000000 17.346782\nLa Cu I\n4 4 2\ndirect\n0.000000 0.000000 0.106344 La\n0.000000 0.000000 0.893656 La\n0.000000 0.000000 0.606344 La\n0.000000 0.000000 0.393656 La\n0.333334 0.666667 0.500915 Cu\n0.666667 0.333334 0.499085 Cu\n0.666667 0.333334 0.000915 Cu\n0.333334 0.666667 0.999085 Cu\n0.333334 0.666667 0.250000 I\n0.666667 0.333334 0.750000 I\n",
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{
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"created_at": "2022-09-04T14:35:52.794619Z",
"updated_at": "2022-09-04T14:35:52.794643Z",
"structure_string": "Sr2 Be1 Bi1\n1.0\n3.819524 0.000000 0.000000\n0.000000 3.819524 -0.000000\n-0.000000 0.000000 9.105522\nSr Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.937256 Sr\n0.500000 0.500000 0.323405 Sr\n0.000000 0.000000 0.556140 Be\n0.500000 0.500000 0.683200 Bi\n",
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{
"id": "jvasp-107880",
"created_at": "2022-09-04T14:35:50.422305Z",
"updated_at": "2022-09-04T14:35:50.422338Z",
"structure_string": "Li2 Mn2 F6\n1.0\n3.209508 -0.000000 0.000000\n0.000000 4.847922 0.000000\n-0.000000 -0.000000 7.569862\nLi Mn F\n2 2 6\ndirect\n0.500000 0.031224 0.750000 Li\n0.500000 0.968777 0.250000 Li\n-0.000000 0.500000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.249080 0.425231 F\n0.500000 0.249080 0.074769 F\n-0.000000 0.259086 0.750000 F\n-0.000000 0.740913 0.250000 F\n0.500000 0.750919 0.925231 F\n0.500000 0.750919 0.574769 F\n",
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"formula_full": "Li2 Mn2 F6",
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{
"id": "jvasp-117750",
"created_at": "2022-09-04T14:38:52.843600Z",
"updated_at": "2022-09-04T14:38:52.843635Z",
"structure_string": "Rb1 Bi1 Se1\n1.0\n3.731552 -0.000000 0.000000\n-0.000000 3.731552 -0.000000\n0.000000 -0.000000 9.123944\nRb Bi Se\n1 1 1\ndirect\n0.000000 0.000000 0.662961 Rb\n0.000000 0.000000 0.278648 Bi\n0.000000 0.000000 -0.001434 Se\n",
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},
{
"id": "jvasp-116121",
"created_at": "2022-09-04T14:38:40.823017Z",
"updated_at": "2022-09-04T14:38:40.823036Z",
"structure_string": "Rb1 Ge1 Se1\n1.0\n4.099640 -0.000000 0.000000\n-0.000000 4.099640 -0.000000\n-0.000000 -0.000000 8.749033\nRb Ge Se\n1 1 1\ndirect\n0.000000 0.000000 0.642158 Rb\n0.000000 0.000000 0.254161 Ge\n0.000000 0.000000 0.002102 Se\n",
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{
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"created_at": "2022-09-04T14:36:03.838298Z",
"updated_at": "2022-09-04T14:36:03.838329Z",
"structure_string": "Ba4 Li1 Be1\n1.0\n-0.000000 5.153770 5.153770\n5.153770 0.000000 5.153770\n5.153770 5.153770 0.000000\nBa Li Be\n4 1 1\ndirect\n0.128128 0.623957 0.623957 Ba\n0.623957 0.623957 0.623957 Ba\n0.623957 0.128128 0.623957 Ba\n0.623957 0.623957 0.128128 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Be\n",
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{
"id": "jvasp-48617",
"created_at": "2022-09-04T14:36:48.784486Z",
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"structure_string": "Li6 Mn2 F10\n1.0\n5.049349 0.116840 0.027942\n-2.159727 5.152979 -0.030903\n-2.382490 -2.032924 7.109661\nLi Mn F\n6 2 10\ndirect\n0.682733 0.455785 0.908867 Li\n0.330645 0.973414 0.697873 Li\n0.939060 0.564113 0.297480 Li\n0.060940 0.435888 0.702520 Li\n0.669355 0.026588 0.302128 Li\n0.317267 0.544216 0.091133 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.252032 0.249822 0.860912 F\n0.365893 0.737997 0.331365 F\n0.119803 0.701719 0.926539 F\n0.446274 0.252274 0.239425 F\n0.954899 0.716199 0.537676 F\n0.634108 0.262004 0.668635 F\n0.747968 0.750179 0.139088 F\n0.045101 0.283802 0.462324 F\n0.880197 0.298282 0.073461 F\n0.553726 0.747727 0.760575 F\n",
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