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{
"id": "jvasp-41030",
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"structure_string": "Ag4 Cl6\n1.0\n-6.635291 0.000000 0.000000\n3.317645 -5.746330 0.000000\n-3.317645 1.915444 6.047650\nAg Cl\n4 6\ndirect\n0.657347 0.342654 0.027961 Ag\n0.842653 0.157348 0.472040 Ag\n0.157346 0.842653 0.527960 Ag\n0.342654 0.657348 0.972040 Ag\n0.929685 0.429684 0.250000 Cl\n0.570316 0.749999 0.250000 Cl\n0.250000 0.070316 0.250000 Cl\n0.750001 0.929685 0.749999 Cl\n0.429684 0.250000 0.749999 Cl\n0.070316 0.570316 0.749999 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:37.739446Z",
"structure_string": "Ag4 Ge2 O8\n1.0\n-0.000000 6.015074 5.159679\n2.996419 0.000000 5.159679\n2.996419 6.015074 0.000000\nAg Ge O\n4 2 8\ndirect\n0.220440 0.220440 0.529560 Ag\n0.529560 0.529561 0.220440 Ag\n0.779560 0.779561 0.470440 Ag\n0.470439 0.470441 0.779560 Ag\n0.125000 0.125000 0.125000 Ge\n0.874999 0.875001 0.875000 Ge\n0.145783 0.325068 0.262223 O\n0.766923 0.262224 0.325067 O\n0.262223 0.766924 0.145783 O\n0.325067 0.145784 0.766923 O\n0.674932 0.854217 0.233076 O\n0.737776 0.233077 0.854216 O\n0.233076 0.737777 0.674932 O\n0.854216 0.674933 0.737776 O\n",
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"density": 6.291971596204366,
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"spacegroup": 70
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{
"id": "jvasp-10587",
"created_at": "2022-09-04T14:37:12.839786Z",
"updated_at": "2022-09-04T14:37:12.839810Z",
"structure_string": "Ag4 Ge2 S6\n1.0\n6.538517 -0.000000 0.000000\n-0.000000 6.058585 -3.261772\n0.000000 -0.030711 6.880746\nAg Ge S\n4 2 6\ndirect\n0.491819 0.305376 0.995061 Ag\n0.991820 0.694623 0.004939 Ag\n0.491819 0.995060 0.305377 Ag\n0.991820 0.004939 0.694624 Ag\n0.959478 0.338971 0.338972 Ge\n0.459478 0.661028 0.661029 Ge\n0.823360 0.643931 0.643932 S\n0.323360 0.356068 0.356069 S\n0.375263 0.649919 0.966394 S\n0.375263 0.966392 0.649920 S\n0.875263 0.033607 0.350081 S\n0.875263 0.350080 0.033607 S\n",
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{
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"created_at": "2022-09-04T14:38:12.350483Z",
"updated_at": "2022-09-04T14:38:12.350518Z",
"structure_string": "Ag4 H4 I2 O2 F2\n1.0\n4.687874 0.000000 -0.423957\n0.000000 7.878845 0.000000\n-0.208260 0.000000 6.148403\nAg H I O F\n4 4 2 2 2\ndirect\n0.898113 0.465582 0.698263 Ag\n0.101886 -0.034417 0.301736 Ag\n0.998923 0.097052 0.715952 Ag\n0.001076 0.597051 0.284047 Ag\n0.280465 0.730334 0.956777 H\n0.719534 0.230335 0.043222 H\n0.414432 0.537582 -0.003125 H\n0.585567 0.037582 0.003124 H\n0.663855 0.797498 0.522019 I\n0.336144 0.297499 0.477981 I\n0.231362 0.606798 -0.025027 O\n0.768637 0.106798 0.025026 O\n0.316142 0.927852 -0.028389 F\n0.683857 0.427852 0.028389 F\n",
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"formula_full": "Ag4 H4 I2 O2 F2",
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"created_at": "2022-09-04T14:37:48.497130Z",
"updated_at": "2022-09-04T14:37:48.497156Z",
"structure_string": "Ag4 Hg2 S2 I4\n1.0\n7.234449 -0.000000 -0.000000\n0.000000 6.658572 -3.592854\n0.000000 -0.046749 7.879894\nAg Hg S I\n4 2 2 4\ndirect\n0.771840 0.178622 0.672903 Ag\n0.771840 0.505719 0.327097 Ag\n0.271839 0.494280 0.672903 Ag\n0.271839 0.821378 0.327097 Ag\n0.406435 0.025773 0.000000 Hg\n0.906435 0.974227 0.000000 Hg\n0.679060 0.208569 0.000000 S\n0.179060 0.791431 0.000000 S\n0.172514 0.138943 0.690161 I\n0.172514 0.448783 0.309839 I\n0.672514 0.861056 0.309839 I\n0.672514 0.551216 0.690161 I\n",
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"elements": [
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"density_atomic": 0.0317151519803638,
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"formula_full": "Ag4 Hg2 S2 I4",
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{
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"created_at": "2022-09-04T14:37:19.234127Z",
"updated_at": "2022-09-04T14:37:19.234151Z",
"structure_string": "Ag4 Hg2 S4\n1.0\n0.000000 4.178237 -0.018728\n7.942840 0.000000 0.000000\n0.000000 -2.320955 -6.312035\nAg Hg S\n4 2 4\ndirect\n0.387333 0.149493 0.599234 Ag\n0.612667 0.649493 0.900768 Ag\n0.387333 0.350507 0.099233 Ag\n0.612667 0.850507 0.400768 Ag\n-0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.189036 0.873883 0.730817 S\n0.810964 0.373883 0.769185 S\n0.810964 0.126117 0.269184 S\n0.189036 0.626117 0.230816 S\n",
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"density": 7.604656490125824,
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"volume": 209.82318479050613,
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"formula_full": "Ag4 Hg2 S4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 14
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{
"id": "jvasp-50710",
"created_at": "2022-09-04T14:35:59.714791Z",
"updated_at": "2022-09-04T14:35:59.714808Z",
"structure_string": "Ag4 Hg4\n1.0\n5.501395 0.000000 0.000000\n0.000000 5.501395 0.000000\n0.000000 0.000000 5.501395\nAg Hg\n4 4\ndirect\n0.147654 0.352345 0.647654 Ag\n0.352345 0.647654 0.147654 Ag\n0.647654 0.147654 0.352345 Ag\n0.852345 0.852345 0.852345 Ag\n0.155721 0.155721 0.155721 Hg\n0.344278 0.844278 0.655721 Hg\n0.655721 0.344278 0.844278 Hg\n0.844278 0.655721 0.344278 Hg\n",
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"spacegroup": 198
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{
"id": "jvasp-120553",
"created_at": "2022-09-04T14:38:45.436278Z",
"updated_at": "2022-09-04T14:38:45.436308Z",
"structure_string": "Ag4 Hg4 S4 Br1 Cl3\n1.0\n4.523090 -0.004324 0.004703\n0.006751 6.901585 0.033823\n0.002323 0.003083 12.992741\nAg Hg S Br Cl\n4 4 4 1 3\ndirect\n-0.000863 0.791415 0.460286 Ag\n0.000946 0.208780 0.541747 Ag\n0.001209 0.291823 0.042169 Ag\n0.998701 0.700468 0.951448 Ag\n0.499985 0.623132 0.244786 Hg\n0.500024 0.374834 0.756181 Hg\n0.500300 0.125474 0.262602 Hg\n0.499675 0.876512 0.740134 Hg\n0.499526 0.857760 0.385180 S\n0.500544 0.140694 0.616874 S\n0.500754 0.359808 0.121287 S\n0.499122 0.638598 0.878672 S\n0.000646 0.873328 0.133513 Br\n-0.000540 0.137982 0.863052 Cl\n0.999709 0.370315 0.365356 Cl\n0.000255 0.629081 0.636707 Cl\n",
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"volume": 405.58760274986537,
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"formula_full": "Ag4 Hg4 S4 Br1 Cl3",
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{
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"created_at": "2022-09-04T14:37:20.086020Z",
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"structure_string": "Ag4 Hg4 S4 Br4\n1.0\n4.662169 0.000000 0.000000\n0.000000 9.797805 0.000000\n0.000000 0.000000 9.487843\nAg Hg S Br\n4 4 4 4\ndirect\n0.000000 0.207013 0.411642 Ag\n0.000000 0.792988 0.588358 Ag\n0.000000 0.207013 0.088358 Ag\n0.000000 0.792988 0.911642 Ag\n0.500000 0.229439 0.750000 Hg\n0.500000 0.770561 0.250000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.253448 0.003608 S\n0.500000 0.746552 -0.003608 S\n0.500000 0.746552 0.503608 S\n0.500000 0.253448 0.496392 S\n0.000000 0.021812 0.750000 Br\n0.000000 0.517782 0.750000 Br\n0.000000 0.482219 0.250000 Br\n0.000000 0.978188 0.250000 Br\n",
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"volume": 433.3953961414889,
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"formula_full": "Ag4 Hg4 S4 Br4",
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{
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"created_at": "2022-09-04T14:37:34.606042Z",
"updated_at": "2022-09-04T14:37:34.606071Z",
"structure_string": "Ag4 Hg4 S4 I4\n1.0\n7.174609 0.000000 0.000000\n0.000000 7.721004 0.000000\n0.000000 0.000000 8.570530\nAg Hg S I\n4 4 4 4\ndirect\n0.109770 0.175282 0.394067 Ag\n0.609770 0.324718 0.605933 Ag\n0.390230 0.824718 0.894067 Ag\n0.890230 0.675281 0.105933 Ag\n0.246680 0.274296 0.981947 Hg\n0.253320 0.725703 0.481947 Hg\n0.753320 0.774296 0.518053 Hg\n0.746680 0.225703 0.018053 Hg\n-0.000110 0.362172 0.154692 S\n0.500110 0.637827 0.654692 S\n0.000110 0.862172 0.345308 S\n0.499890 0.137828 0.845308 S\n-0.009474 0.881796 0.852730 I\n0.490526 0.618204 0.147270 I\n0.509474 0.118204 0.352730 I\n0.009474 0.381796 0.647270 I\n",
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{
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"created_at": "2022-09-04T14:37:16.232008Z",
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"structure_string": "Ag4 Hg4 S4 I4\n1.0\n4.639588 0.000000 0.000000\n0.000000 10.236913 -0.000000\n0.000000 0.000000 9.960732\nAg Hg S I\n4 4 4 4\ndirect\n0.000000 0.210652 0.416951 Ag\n0.000000 0.789347 0.916951 Ag\n0.000000 0.789347 0.583048 Ag\n0.000000 0.210652 0.083049 Ag\n0.500000 0.235914 0.750000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.764086 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.261834 0.507424 S\n0.500000 0.738165 0.492575 S\n0.500000 0.261834 0.992575 S\n0.500000 0.738165 0.007425 S\n0.000000 0.526183 0.750000 I\n0.000000 0.987537 0.250000 I\n0.000000 0.473817 0.250000 I\n0.000000 0.012463 0.750000 I\n",
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"formula_full": "Ag4 Hg4 S4 I4",
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]
}