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{
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{
"id": "jvasp-26822",
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"updated_at": "2022-09-04T14:38:29.398294Z",
"structure_string": "Rb2 Na2 Ti2 O6\n1.0\n5.572901 0.044293 0.142124\n0.259858 5.191380 2.793718\n0.026897 -0.010361 6.249093\nRb Na Ti O\n2 2 2 6\ndirect\n0.250000 0.266694 0.466610 Rb\n0.750000 0.733305 0.533390 Rb\n0.250001 0.575718 0.848563 Na\n0.750000 0.424282 0.151436 Na\n0.750000 0.051855 0.896290 Ti\n0.250000 0.948145 0.103710 Ti\n0.002165 0.227106 0.976056 O\n0.497836 0.796838 0.976056 O\n0.750000 0.212975 0.574049 O\n0.997835 0.772894 0.023944 O\n0.502165 0.203161 0.023944 O\n0.250000 0.787024 0.425951 O\n",
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{
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"structure_string": "K2 Ag1 Sb1 Cl6\n1.0\n6.478854 -0.000000 3.740568\n2.159618 6.108322 3.740568\n-0.000000 -0.000000 7.481136\nK Ag Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Sb\n0.750098 0.249901 0.249902 Cl\n0.249902 0.249901 0.750099 Cl\n0.249902 0.750098 0.750099 Cl\n0.249902 0.750098 0.249902 Cl\n0.750098 0.249901 0.750099 Cl\n0.750098 0.750098 0.249902 Cl\n",
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{
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"density_atomic": 0.06347446394377816,
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"spacegroup": 225
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{
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"updated_at": "2022-09-04T14:38:29.942475Z",
"structure_string": "Tb1 B2 Rh2 C1\n1.0\n3.594866 0.000000 -1.236577\n-0.425363 3.569611 -1.236577\n-0.008990 -0.010125 5.817487\nTb B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.355836 0.355834 0.711671 B\n0.644166 0.644164 0.288329 B\n0.750001 0.249999 0.500000 Rh\n0.250001 0.749999 0.500000 Rh\n0.500001 0.500000 -0.000000 C\n",
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{
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"created_at": "2022-09-04T14:38:11.981443Z",
"updated_at": "2022-09-04T14:38:11.981470Z",
"structure_string": "K8 Fe8 As8 O36\n1.0\n5.749918 0.000000 0.000000\n0.000000 8.416593 0.000000\n0.000000 0.000000 18.147980\nK Fe As O\n8 8 8 36\ndirect\n0.750000 0.957226 0.263063 K\n0.250000 0.102493 0.129235 K\n0.750000 0.457226 0.236937 K\n0.750000 0.897506 0.870765 K\n0.250000 0.542773 0.763063 K\n0.250000 0.042774 0.736937 K\n0.250000 0.602493 0.370765 K\n0.750000 0.397506 0.629235 K\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750000 0.286778 0.429169 Fe\n0.750000 0.786778 0.070831 Fe\n0.250000 0.213222 0.929169 Fe\n0.250000 0.713222 0.570831 Fe\n0.000000 0.500000 0.000000 Fe\n0.750000 0.682144 0.442701 As\n0.250000 0.317856 0.557299 As\n0.250000 0.177627 0.347701 As\n0.750000 0.322372 0.847701 As\n0.750000 0.822372 0.652299 As\n0.250000 0.677627 0.152299 As\n0.250000 0.817856 0.942701 As\n0.750000 0.182144 0.057299 As\n0.993892 0.698695 0.642622 O\n-0.001792 0.273970 0.020075 O\n0.750000 0.686834 0.349736 O\n0.750000 0.492302 0.477149 O\n0.493891 0.801305 0.142622 O\n0.250000 0.578523 0.232546 O\n0.501792 0.773970 0.479925 O\n0.750000 0.921477 0.732546 O\n0.501792 0.273970 0.020075 O\n0.250000 0.507697 0.522851 O\n0.506109 0.198695 0.857378 O\n0.250000 0.313165 0.650264 O\n0.750000 0.547167 0.062112 O\n0.006109 0.801305 0.142622 O\n0.750000 0.992302 0.022851 O\n0.498208 0.226029 0.520075 O\n0.750000 0.047167 0.437888 O\n0.250000 0.007698 0.977149 O\n0.493891 0.301305 0.357378 O\n0.750000 0.464958 0.917753 O\n0.006109 0.301305 0.357378 O\n0.498208 0.726029 0.979925 O\n0.001792 0.726029 0.979925 O\n0.750000 0.421477 0.767454 O\n0.750000 0.186834 0.150264 O\n-0.001792 0.773970 0.479925 O\n0.250000 0.452833 0.937888 O\n0.250000 0.952833 0.562112 O\n0.250000 0.535042 0.082247 O\n0.250000 0.813165 0.849736 O\n0.506109 0.698695 0.642622 O\n0.250000 0.078523 0.267454 O\n0.001792 0.226029 0.520075 O\n0.250000 0.035042 0.417753 O\n0.750000 0.964957 0.582247 O\n0.993892 0.198695 0.857378 O\n",
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{
"id": "jvasp-24396",
"created_at": "2022-09-04T14:38:29.482915Z",
"updated_at": "2022-09-04T14:38:29.482936Z",
"structure_string": "K2 Na1 Fe1 F6\n1.0\n5.016885 -0.000000 2.896500\n1.672295 4.729964 2.896500\n-0.000000 0.000000 5.793000\nK Na Fe F\n2 1 1 6\ndirect\n0.750002 0.749999 0.749999 K\n0.250001 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.229171 0.770830 0.770830 F\n0.229171 0.770830 0.229170 F\n0.770831 0.229170 0.770830 F\n0.229170 0.229170 0.770830 F\n0.770831 0.229170 0.229169 F\n0.770832 0.770830 0.229169 F\n",
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{
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"created_at": "2022-09-04T14:38:19.938159Z",
"updated_at": "2022-09-04T14:38:19.938168Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.448183 0.000000 0.000000\n0.000000 8.753418 0.000000\n0.000000 0.000000 9.357220\nRb Mg P O\n4 4 4 16\ndirect\n0.230720 0.497481 0.220649 Rb\n0.230720 0.997481 0.279351 Rb\n0.730720 0.002520 0.720649 Rb\n0.730720 0.502520 0.779351 Rb\n0.246522 0.310757 0.580260 Mg\n0.246522 0.810757 0.919740 Mg\n0.746522 0.189243 0.080260 Mg\n0.746522 0.689243 0.419740 Mg\n0.746231 0.294770 0.417377 P\n0.746231 0.794770 0.082623 P\n0.246231 0.205230 0.917377 P\n0.246231 0.705230 0.582623 P\n0.848712 0.243558 0.270825 O\n0.848712 0.743558 0.229175 O\n0.735631 0.470361 0.421952 O\n0.735631 0.970361 0.078048 O\n0.484316 0.229499 0.442242 O\n0.484316 0.729499 0.057758 O\n0.420066 0.765427 0.463558 O\n0.984316 0.270501 0.942242 O\n0.348712 0.256442 0.770825 O\n0.348712 0.756442 0.729175 O\n0.235632 0.029640 0.921952 O\n0.235632 0.529640 0.578048 O\n0.920066 0.234573 0.536442 O\n0.984316 0.770501 0.557758 O\n0.420066 0.265427 0.036442 O\n0.920066 0.734574 0.963558 O\n",
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{
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"structure_string": "Ba2 Hf1 U1 O6\n1.0\n5.288215 0.000000 3.053152\n1.762738 4.985777 3.053153\n0.000000 -0.000000 6.106305\nBa Hf U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 U\n0.757652 0.242349 0.242348 O\n0.242349 0.757652 0.757651 O\n0.242349 0.757652 0.242348 O\n0.757652 0.242349 0.757651 O\n0.242349 0.242349 0.757652 O\n0.757652 0.757652 0.242347 O\n",
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{
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"structure_string": "Li2 Mn1 Ni1 O4\n1.0\n2.835922 0.000000 0.000000\n-0.000000 4.731283 1.795904\n-0.000000 0.090723 5.127187\nLi Mn Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.499999 0.500000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.289576 0.256869 O\n0.500000 0.260000 0.726827 O\n0.000000 0.710423 0.743131 O\n0.500000 0.739999 0.273174 O\n",
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{
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{
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"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.382181 -0.000000 0.000000\n-3.191091 5.527131 -0.000000\n-0.000000 0.000000 6.674901\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500031 Cd\n0.666667 0.333333 0.499969 Cd\n0.000000 0.000000 0.000000 Os\n0.999977 0.748645 0.816264 C\n0.251355 0.251333 0.816264 C\n0.748667 0.000023 0.816264 C\n0.251333 0.999977 0.183735 C\n0.748645 0.748667 0.183735 C\n0.000023 0.251355 0.183735 C\n0.612029 0.612046 0.303339 N\n0.000017 0.387971 0.303339 N\n0.612046 0.000017 0.696661 N\n0.387953 0.999983 0.303339 N\n0.999983 0.612029 0.696661 N\n0.387971 0.387953 0.696661 N\n",
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}