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{
"id": "jvasp-51718",
"created_at": "2022-09-04T14:38:12.805750Z",
"updated_at": "2022-09-04T14:38:12.805783Z",
"structure_string": "Sr2 H8 Cl4 O4\n1.0\n5.712369 3.200961 -1.671677\n-5.712369 3.200961 1.671677\n-0.141990 0.000000 6.632265\nSr H Cl O\n2 8 4 4\ndirect\n0.736960 0.736960 0.750001 Sr\n0.263040 0.263040 0.250000 Sr\n0.742692 0.360405 0.571435 H\n0.257308 0.639595 0.428566 H\n0.639595 0.257308 0.071434 H\n0.360405 0.742692 0.928566 H\n0.576063 0.819269 0.116626 H\n0.180730 0.423937 0.616627 H\n0.423937 0.180730 0.883375 H\n0.819269 0.576063 0.383374 H\n0.054267 0.763199 0.163505 Cl\n0.763199 0.054267 0.336496 Cl\n0.945733 0.236800 0.836496 Cl\n0.236800 0.945733 0.663505 Cl\n0.472669 0.693748 0.021563 O\n0.527330 0.306252 0.978438 O\n0.306252 0.527330 0.521563 O\n0.693748 0.472669 0.478438 O\n",
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{
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"structure_string": "Li8 V1 O5 F1\n1.0\n5.341296 -0.009057 -0.007084\n-2.560167 4.720271 -0.001636\n-2.607549 -1.484815 5.057511\nLi V O F\n8 1 5 1\ndirect\n0.240876 0.478163 0.361560 Li\n0.129850 0.234607 0.655367 Li\n0.406473 0.892750 0.640213 Li\n0.716101 0.343832 0.008369 Li\n0.315882 0.686826 0.969361 Li\n0.586575 0.093056 0.358313 Li\n0.889045 0.783531 0.361644 Li\n0.755356 0.518333 0.653052 Li\n0.967800 0.975430 0.983289 V\n0.513759 0.604157 0.758947 O\n0.853352 0.090760 0.237394 O\n0.152141 0.763168 0.234320 O\n0.838375 0.228848 0.761128 O\n0.133247 0.903389 0.755232 O\n0.501168 0.403149 0.261810 F\n",
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{
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"created_at": "2022-09-04T14:38:46.772467Z",
"updated_at": "2022-09-04T14:38:46.772494Z",
"structure_string": "Na1 Li1 As1\n1.0\n4.860969 0.111011 0.000000\n-2.526861 4.154279 0.000000\n0.000000 0.000000 3.171327\nNa Li As\n1 1 1\ndirect\n0.666666 0.666651 0.000000 Na\n-0.000025 0.333338 0.000000 Li\n0.333359 0.000011 0.000000 As\n",
"nsites": 3,
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"density_atomic": 0.046203035980167645,
"volume": 64.93079808192108,
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{
"id": "jvasp-66371",
"created_at": "2022-09-04T14:35:44.302179Z",
"updated_at": "2022-09-04T14:35:44.302207Z",
"structure_string": "Ba1 Mg1 Cl1\n1.0\n0.000000 3.936927 3.936927\n3.936927 0.000000 3.936927\n3.936927 3.936927 0.000000\nBa Mg Cl\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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{
"id": "jvasp-59262",
"created_at": "2022-09-04T14:38:09.399984Z",
"updated_at": "2022-09-04T14:38:09.400004Z",
"structure_string": "P8 N8 O8\n1.0\n4.498400 -0.005278 -0.000773\n-0.081151 7.065806 -0.008130\n-0.011853 -0.135215 9.503221\nP N O\n8 8 8\ndirect\n0.995490 0.990616 0.002110 P\n0.995280 0.759430 0.750376 P\n0.005582 0.988021 0.502827 P\n0.025774 0.752579 0.248209 P\n0.495413 0.481805 0.748732 P\n0.491838 0.495884 0.256658 P\n0.504285 0.263401 0.494187 P\n0.496633 0.268653 0.001763 P\n0.138897 0.888371 0.130049 N\n0.137547 0.869279 0.622549 N\n0.260381 0.635053 0.329143 N\n0.355003 0.380993 0.126144 N\n0.353312 0.365807 0.622591 N\n0.655110 0.366428 0.369885 N\n0.641276 0.376267 0.874096 N\n0.855453 0.872171 0.875946 N\n0.861049 0.880609 0.372928 O\n0.746863 0.117867 0.558509 O\n0.744921 0.128915 0.062068 O\n0.744073 0.621882 0.683863 O\n0.753322 0.630926 0.189244 O\n0.245200 0.621954 0.809780 O\n0.245228 0.127525 0.936119 O\n0.252084 0.115576 0.432230 O\n",
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"elements": [
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{
"id": "jvasp-62588",
"created_at": "2022-09-04T14:35:55.168110Z",
"updated_at": "2022-09-04T14:35:55.168136Z",
"structure_string": "Sr2 Al4 B4 O14\n1.0\n16.133035 -2.474219 -0.003308\n16.133035 2.474219 -0.003308\n15.754456 -0.000000 4.265410\nSr Al B O\n2 4 4 14\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.714869 0.714869 0.714868 Al\n0.214869 0.214869 0.214869 Al\n0.285131 0.285131 0.285131 Al\n0.785132 0.785132 0.785131 Al\n0.132943 0.132943 0.132943 B\n0.367057 0.367057 0.367057 B\n0.867058 0.867058 0.867056 B\n0.632944 0.632944 0.632943 B\n0.750001 0.750001 0.749999 O\n0.250000 0.250000 0.250000 O\n0.562547 0.109996 0.924996 O\n0.924997 0.562547 0.109996 O\n0.109996 0.924997 0.562546 O\n0.937454 0.575005 0.390003 O\n0.437454 0.890004 0.075004 O\n0.390004 0.937454 0.575004 O\n0.075004 0.437454 0.890004 O\n0.062547 0.424996 0.609996 O\n0.424996 0.609997 0.062546 O\n0.609997 0.062547 0.424996 O\n0.575005 0.390004 0.937453 O\n0.890004 0.075004 0.437453 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 2.681977499298783,
"density_atomic": 0.07042672037607123,
"volume": 340.7797476844377,
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"formula_full": "Sr2 Al4 B4 O14",
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{
"id": "jvasp-11412",
"created_at": "2022-09-04T14:37:03.960163Z",
"updated_at": "2022-09-04T14:37:03.960191Z",
"structure_string": "Sr1 Al2 B2 O7\n1.0\n4.737223 0.008137 7.135076\n2.158991 4.216647 7.135076\n0.013281 0.008137 8.564486\nSr Al B O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.430104 0.430106 0.430106 Al\n0.569894 0.569896 0.569896 Al\n0.265450 0.265451 0.265451 B\n0.734548 0.734551 0.734550 B\n0.035439 0.674791 0.486136 O\n0.486134 0.035440 0.674791 O\n0.674789 0.486136 0.035440 O\n0.499999 0.500001 0.500001 O\n0.325208 0.964562 0.513866 O\n0.513864 0.325211 0.964561 O\n0.964559 0.513866 0.325211 O\n",
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"formula_full": "Sr1 Al2 B2 O7",
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{
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"created_at": "2022-09-04T14:36:07.621890Z",
"updated_at": "2022-09-04T14:36:07.621918Z",
"structure_string": "Li8 Fe1 O5 F1\n1.0\n5.306620 0.013110 0.021971\n-2.413052 4.800243 -0.005986\n-2.472803 -1.382820 5.095006\nLi Fe O F\n8 1 5 1\ndirect\n0.247633 0.470530 0.356452 Li\n0.124117 0.230674 0.660021 Li\n0.401831 0.892821 0.634827 Li\n0.731878 0.353930 0.021688 Li\n0.298358 0.679682 0.972616 Li\n0.576649 0.096421 0.345634 Li\n0.902902 0.796068 0.367266 Li\n0.757534 0.517059 0.646473 Li\n0.925258 0.945263 0.964420 Fe\n0.506683 0.597637 0.762548 O\n0.872063 0.105234 0.244673 O\n0.164690 0.764100 0.235687 O\n0.822610 0.221124 0.756682 O\n0.125100 0.895858 0.754689 O\n0.542695 0.433594 0.276325 F\n",
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{
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"created_at": "2022-09-04T14:36:11.799418Z",
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"structure_string": "Sr1 Al2 B2 O7\n1.0\n8.202026 -2.467470 0.008796\n8.202085 2.467669 0.008821\n7.455476 0.000112 4.216995\nSr Al B O\n1 2 2 7\ndirect\n0.000082 0.000070 0.000031 Sr\n0.569949 0.569957 0.569939 Al\n0.430214 0.430170 0.430141 Al\n0.734677 0.734604 0.734595 B\n0.265509 0.265497 0.265487 B\n0.500035 0.500114 0.500037 O\n0.964631 0.514002 0.325134 O\n0.325168 0.964618 0.513998 O\n0.514017 0.325142 0.964600 O\n0.035550 0.674935 0.486084 O\n0.675029 0.486099 0.035484 O\n0.486174 0.035488 0.674948 O\n",
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{
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"created_at": "2022-09-04T14:38:35.417848Z",
"updated_at": "2022-09-04T14:38:35.417871Z",
"structure_string": "K4 S2 O8\n1.0\n2.585606 -4.478401 -0.000000\n2.585606 4.478401 0.000000\n0.000000 0.000000 9.315580\nK S O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.666668 0.333334 0.044923 K\n0.000000 -0.000000 0.500000 K\n0.333334 0.666668 0.955077 K\n0.333334 0.666668 0.285019 S\n0.666668 0.333334 0.714981 S\n0.666668 0.333334 0.559581 O\n0.333334 0.666668 0.440419 O\n0.850107 0.149895 0.237087 O\n0.299789 0.149894 0.237087 O\n0.149894 0.299789 0.762913 O\n0.149895 0.850107 0.762913 O\n0.700213 0.850107 0.762913 O\n0.850107 0.700213 0.237087 O\n",
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"formula_full": "K4 S2 O8",
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{
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"structure_string": "Al2 Cu2 Cl8\n1.0\n5.312741 -0.000000 0.000000\n0.000000 5.312741 0.000000\n-0.000000 -0.000000 10.190435\nAl Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.250000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.755225 0.269055 0.870499 Cl\n0.244775 0.730945 0.870499 Cl\n0.730945 0.244775 0.370499 Cl\n0.244775 0.269055 0.629502 Cl\n0.755225 0.730945 0.629502 Cl\n0.269055 0.244775 0.129501 Cl\n0.730945 0.755225 0.129501 Cl\n0.269055 0.755225 0.370499 Cl\n",
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"formula_full": "Al2 Cu2 Cl8",
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{
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"created_at": "2022-09-04T14:38:29.162558Z",
"updated_at": "2022-09-04T14:38:29.162584Z",
"structure_string": "P2 Br1\n1.0\n5.518174 0.000000 0.000000\n0.000000 5.166862 0.000000\n0.000000 0.000000 3.079475\nP Br\n2 1\ndirect\n0.189437 0.923997 0.000000 P\n0.810562 0.923997 0.000000 P\n0.000000 0.424005 0.000000 Br\n",
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"volume": 87.8008935210993,
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"formula_full": "P2 Br1",
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]
}