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"id": "jvasp-54668",
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"structure_string": "Na1 H1 O1\n1.0\n2.319876 2.319876 0.332761\n-0.000000 2.652636 2.652636\n2.652636 -0.000000 2.652636\nNa H O\n1 1 1\ndirect\n0.952847 0.015718 0.015718 Na\n0.157776 0.614076 0.614076 H\n0.549762 0.483414 0.483414 O\n",
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{
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{
"id": "jvasp-54664",
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{
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"structure_string": "Ta2 O5\n1.0\n3.780765 0.059691 1.073945\n0.266579 3.771827 1.073945\n0.435354 0.412139 5.761518\nTa O\n2 5\ndirect\n0.230986 0.150858 0.708107 Ta\n0.849143 0.769014 0.291891 Ta\n0.632040 0.223676 0.348439 O\n0.241449 0.111150 0.044431 O\n0.272209 0.727792 0.499999 O\n0.888850 0.758552 0.955568 O\n0.776325 0.367961 0.651559 O\n",
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{
"id": "jvasp-54651",
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"updated_at": "2022-09-04T14:37:51.438280Z",
"structure_string": "Cu4 Bi4 Pb4 S12\n1.0\n4.061060 -0.000000 0.000000\n0.000000 11.312553 0.000000\n0.000000 0.000000 11.825295\nCu Bi Pb S\n4 4 4 12\ndirect\n0.750000 0.793221 0.765703 Cu\n0.750000 0.706778 0.265703 Cu\n0.250000 0.293221 0.734296 Cu\n0.250000 0.206778 0.234296 Cu\n0.750000 0.319520 0.988135 Bi\n0.250000 0.819520 0.511865 Bi\n0.250000 0.680480 0.011865 Bi\n0.750000 0.180480 0.488135 Bi\n0.750000 0.986955 0.168402 Pb\n0.250000 0.486955 0.331598 Pb\n0.250000 0.013045 0.831598 Pb\n0.750000 0.513045 0.668402 Pb\n0.250000 0.143433 0.047060 S\n0.250000 0.444924 0.878999 S\n0.750000 0.201710 0.787217 S\n0.250000 0.055076 0.378999 S\n0.750000 0.944924 0.621000 S\n0.250000 0.356567 0.547060 S\n0.250000 0.798289 0.212783 S\n0.750000 0.298289 0.287217 S\n0.250000 0.701710 0.712782 S\n0.750000 0.555076 0.121000 S\n0.750000 0.856567 0.952939 S\n0.750000 0.643433 0.452939 S\n",
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{
"id": "jvasp-54642",
"created_at": "2022-09-04T14:37:09.010896Z",
"updated_at": "2022-09-04T14:37:09.010916Z",
"structure_string": "Tb12 Ni4\n1.0\n6.275412 -0.000000 0.000000\n0.000000 6.807285 0.000000\n0.000000 0.000000 9.561384\nTb Ni\n12 4\ndirect\n0.141447 0.031423 0.250000 Tb\n0.641447 0.468577 0.750000 Tb\n0.323913 0.820907 0.565036 Tb\n0.676087 0.179092 0.434963 Tb\n0.358553 0.531422 0.250000 Tb\n0.858553 0.968577 0.750000 Tb\n0.823912 0.679091 0.065036 Tb\n0.676087 0.179092 0.065036 Tb\n0.323913 0.820907 0.934963 Tb\n0.823912 0.679091 0.434963 Tb\n0.176087 0.320908 0.934963 Tb\n0.176087 0.320908 0.565036 Tb\n0.560396 0.888995 0.250000 Ni\n0.060396 0.611004 0.750000 Ni\n0.439603 0.111004 0.750000 Ni\n0.939603 0.388995 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:36:10.720247Z",
"updated_at": "2022-09-04T14:36:10.720274Z",
"structure_string": "Ti1 Ni1 Sn1\n1.0\n3.749690 0.000010 2.164894\n1.249910 3.535232 2.164889\n0.000012 0.000002 4.329767\nTi Ni Sn\n1 1 1\ndirect\n0.999999 -0.000001 1.000000 Ti\n0.500002 0.500000 0.500001 Ni\n0.249999 0.249999 0.250000 Sn\n",
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{
"id": "jvasp-5464",
"created_at": "2022-09-04T14:37:43.895286Z",
"updated_at": "2022-09-04T14:37:43.895307Z",
"structure_string": "Ca1 Au2 F12\n1.0\n6.070440 0.000000 0.000000\n0.000000 6.070440 0.000000\n0.000000 -0.000000 6.619071\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239416 Au\n0.000000 0.500000 0.760584 Au\n0.000000 0.500000 0.053718 F\n0.500000 0.000000 0.946282 F\n0.000000 0.500000 0.470670 F\n0.256064 0.207412 0.227442 F\n0.207412 0.743936 0.772558 F\n0.792588 0.256064 0.772558 F\n0.743936 0.792588 0.227442 F\n0.743936 0.207412 0.227442 F\n0.207412 0.256064 0.772558 F\n0.792588 0.743936 0.772558 F\n0.256064 0.792588 0.227442 F\n0.500000 0.000000 0.529330 F\n",
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"formula_full": "Ca1 Au2 F12",
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{
"id": "jvasp-54639",
"created_at": "2022-09-04T14:36:09.877379Z",
"updated_at": "2022-09-04T14:36:09.877404Z",
"structure_string": "Mn1 Ga2 Co1\n1.0\n3.579381 0.000418 2.066340\n1.193020 3.375546 2.067212\n-0.000478 0.000729 4.133510\nMn Ga Co\n1 2 1\ndirect\n0.500003 0.500020 0.499997 Mn\n0.749998 0.750012 0.750006 Ga\n0.250001 0.249992 0.250003 Ga\n0.999993 0.999981 0.999992 Co\n",
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{
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"created_at": "2022-09-04T14:38:15.062570Z",
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{
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"created_at": "2022-09-04T14:38:35.048073Z",
"updated_at": "2022-09-04T14:38:35.048095Z",
"structure_string": "Ca3 Cd3 Pb3\n1.0\n3.925319 -6.798851 0.000000\n3.925319 6.798851 -0.000000\n-0.000000 -0.000000 4.721859\nCa Cd Pb\n3 3 3\ndirect\n0.424301 0.424301 0.500000 Ca\n0.000000 0.575699 0.500000 Ca\n0.575699 0.000000 0.500000 Ca\n0.000000 0.252169 0.000000 Cd\n0.252169 0.000000 0.000000 Cd\n0.747831 0.747831 0.000000 Cd\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.000000 Pb\n0.333333 0.666667 0.000000 Pb\n",
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{
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"structure_string": "Ti1 Cd1 F6\n1.0\n4.679801 0.090692 3.242468\n1.746118 4.342790 3.242468\n0.131449 0.090692 5.691823\nTi Cd F\n1 1 6\ndirect\n0.500000 0.499999 0.500000 Ti\n0.000000 0.000000 0.000000 Cd\n0.872972 0.576506 0.277155 F\n0.722846 0.127028 0.423493 F\n0.277155 0.872971 0.576507 F\n0.576508 0.277154 0.872971 F\n0.127029 0.423492 0.722845 F\n0.423493 0.722845 0.127029 F\n",
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