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{
"id": "jvasp-12313",
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"structure_string": "Na4 C2 O6\n1.0\n2.632406 -4.559462 -0.000000\n2.632406 4.559462 -0.000000\n0.000000 -0.000000 6.111238\nNa C O\n4 2 6\ndirect\n0.333334 0.666668 0.250000 Na\n0.666668 0.333334 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.666668 0.333334 0.250000 C\n0.333334 0.666668 0.750000 C\n0.382394 0.191197 0.250000 O\n0.617608 0.808804 0.750000 O\n0.191197 0.382394 0.750000 O\n0.808804 0.191197 0.250000 O\n0.808804 0.617608 0.250000 O\n0.191197 0.808804 0.750000 O\n",
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"structure_string": "Mg7 Zr1\n1.0\n6.436819 0.000000 -0.000000\n-3.218409 5.574448 -0.000000\n-0.000000 -0.000000 5.041780\nMg Zr\n7 1\ndirect\n0.170863 0.835431 0.250000 Mg\n0.664570 0.329137 0.250000 Mg\n0.664570 0.835431 0.250000 Mg\n0.329550 0.170450 0.750000 Mg\n0.329550 0.659101 0.750000 Mg\n0.840899 0.170450 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Zr\n",
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{
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"created_at": "2022-09-04T14:36:36.605510Z",
"updated_at": "2022-09-04T14:36:36.605523Z",
"structure_string": "Ba1 Ca3\n1.0\n3.937736 0.005579 12.638858\n1.927924 3.433498 12.638858\n0.009516 0.005579 13.238067\nBa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.245902 0.245903 0.245902 Ca\n0.500000 0.500001 0.500000 Ca\n0.754098 0.754099 0.754097 Ca\n",
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{
"id": "jvasp-118912",
"created_at": "2022-09-04T14:38:53.764321Z",
"updated_at": "2022-09-04T14:38:53.764349Z",
"structure_string": "Mg1 N1\n1.0\n2.954586 0.000000 -0.000000\n0.000000 2.954586 0.000000\n0.000000 -0.000000 3.037994\nMg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 N\n",
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{
"id": "jvasp-91955",
"created_at": "2022-09-04T14:35:59.502272Z",
"updated_at": "2022-09-04T14:35:59.502297Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.492548 -0.732901 0.000000\n-4.380985 6.122286 0.000000\n0.000000 0.000000 4.694360\nSr Mg Fe\n1 6 1\ndirect\n0.285872 0.214129 0.750000 Sr\n0.200176 0.808822 0.250000 Mg\n0.691179 0.299826 0.250000 Mg\n0.692714 0.807288 0.250000 Mg\n0.322159 0.672241 0.750000 Mg\n0.827760 0.177842 0.750000 Mg\n0.869097 0.630905 0.750000 Mg\n0.111049 0.388951 0.250000 Fe\n",
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{
"id": "jvasp-109838",
"created_at": "2022-09-04T14:38:17.611569Z",
"updated_at": "2022-09-04T14:38:17.611590Z",
"structure_string": "K2 Rb1 Ga1 Cl6\n1.0\n6.570697 -0.000000 3.793594\n2.190232 6.194912 3.793594\n-0.000000 -0.000000 7.587187\nK Rb Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.778646 0.221354 0.221354 Cl\n0.221355 0.221354 0.778646 Cl\n0.221355 0.778645 0.778645 Cl\n0.221355 0.778645 0.221354 Cl\n0.778646 0.221354 0.778645 Cl\n0.778646 0.778645 0.221354 Cl\n",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:37:18.884971Z",
"updated_at": "2022-09-04T14:37:18.885006Z",
"structure_string": "K2 S2 O4 F2\n1.0\n0.000000 4.655061 -0.085857\n5.613280 0.000000 0.000000\n0.000000 -2.101768 -6.434653\nK S O F\n2 2 4 2\ndirect\n0.841415 0.750000 0.716903 K\n0.158584 0.250000 0.283097 K\n0.604585 0.750000 0.180355 S\n0.395414 0.250000 0.819645 S\n0.671449 0.533339 0.307913 O\n0.328550 0.033339 0.692087 O\n0.328550 0.466661 0.692087 O\n0.671449 0.966661 0.307913 O\n0.816095 0.250000 0.875666 F\n0.183904 0.750000 0.124334 F\n",
"nsites": 10,
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"volume": 169.15144241590522,
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"formula_full": "K2 S2 O4 F2",
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{
"id": "jvasp-114172",
"created_at": "2022-09-04T14:38:39.879475Z",
"updated_at": "2022-09-04T14:38:39.879487Z",
"structure_string": "Ca1 N2\n1.0\n4.240799 0.000000 0.360691\n0.000000 3.412890 0.000000\n0.202927 0.000000 3.274484\nCa N\n1 2\ndirect\n0.466665 0.000000 -0.200003 Ca\n-0.141371 0.000000 0.197375 N\n0.074707 0.000000 0.402628 N\n",
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{
"id": "jvasp-115165",
"created_at": "2022-09-04T14:38:45.376185Z",
"updated_at": "2022-09-04T14:38:45.376202Z",
"structure_string": "K2 Te1\n1.0\n5.046689 0.186076 -0.707391\n0.160806 -4.860912 -0.131140\n-0.726098 -2.303040 -5.750145\nK Te\n2 1\ndirect\n0.969002 0.018688 0.064598 K\n0.468967 0.758872 0.584105 K\n0.469214 0.464931 0.171891 Te\n",
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{
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"structure_string": "Y5 Mg24\n1.0\n9.184423 -0.000000 -3.247184\n-4.592212 7.953943 -3.247184\n0.000000 0.000000 9.741551\nY Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Y\n0.376686 0.000000 0.000000 Y\n-0.000000 0.376686 0.000000 Y\n-0.000000 -0.000000 0.376686 Y\n0.623313 0.623313 0.623314 Y\n0.809077 -0.000000 0.629417 Mg\n0.190923 0.820339 0.190923 Mg\n0.820339 0.190923 0.190923 Mg\n-0.000000 0.809077 0.629417 Mg\n0.809077 0.629417 0.000000 Mg\n0.629417 0.809077 0.000000 Mg\n0.370583 0.370583 0.179661 Mg\n0.676277 0.676277 0.289315 Mg\n0.386963 0.710685 0.386964 Mg\n0.190923 0.190923 0.820339 Mg\n0.613036 -0.000000 0.323723 Mg\n0.323723 -0.000000 0.613036 Mg\n0.676277 0.289314 0.676277 Mg\n0.289314 0.676277 0.676277 Mg\n-0.000000 0.323723 0.613036 Mg\n0.323723 0.613036 0.000000 Mg\n0.613036 0.323723 0.000000 Mg\n0.386963 0.386963 0.710686 Mg\n0.629417 -0.000000 0.809077 Mg\n-0.000000 0.629417 0.809077 Mg\n0.179661 0.370583 0.370583 Mg\n0.370583 0.179661 0.370583 Mg\n-0.000000 0.613036 0.323723 Mg\n0.710685 0.386963 0.386964 Mg\n",
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{
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"structure_string": "Mg6 Ti2\n1.0\n2.976120 0.000000 0.000000\n0.000000 10.135467 0.000000\n0.000000 0.000000 5.546685\nMg Ti\n6 2\ndirect\n0.000000 0.500000 0.677587 Mg\n0.500000 0.752750 0.488233 Mg\n0.000000 0.747250 0.988232 Mg\n0.500000 0.000000 0.177587 Mg\n0.000000 0.252750 0.988232 Mg\n0.500000 0.247250 0.488233 Mg\n0.500000 0.500000 0.179280 Ti\n0.000000 0.000000 0.679279 Ti\n",
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