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{
"id": "jvasp-54274",
"created_at": "2022-09-04T14:36:43.194589Z",
"updated_at": "2022-09-04T14:36:43.194611Z",
"structure_string": "Pd1 O1\n1.0\n2.802213 -0.000000 -0.000000\n0.000000 2.802213 0.000000\n0.000000 -0.000000 2.802394\nPd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 O\n",
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{
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"structure_string": "Si4 O8\n1.0\n5.024807 0.000000 0.000000\n0.000000 5.034641 0.000000\n0.000000 0.000000 6.936629\nSi O\n4 8\ndirect\n0.999429 0.053528 0.624595 Si\n0.499429 0.446472 0.124595 Si\n0.499429 0.946472 0.375405 Si\n0.999429 0.553528 0.875405 Si\n0.442440 0.641829 0.307979 O\n0.942440 0.358171 0.692021 O\n0.442440 0.141829 0.192021 O\n0.308142 0.519410 0.942835 O\n0.808142 0.980590 0.442835 O\n0.942440 0.858171 0.807980 O\n0.308142 0.019410 0.557165 O\n0.808142 0.480590 0.057165 O\n",
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{
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"structure_string": "Si2 Sb6\n1.0\n6.625442 0.000000 0.000000\n-3.312721 5.737801 -0.000000\n0.000000 0.000000 5.432452\nSi Sb\n2 6\ndirect\n0.333334 0.666668 0.750000 Si\n0.666665 0.333332 0.250001 Si\n0.177496 0.354993 0.250001 Sb\n0.645005 0.822503 0.250001 Sb\n0.177496 0.822503 0.250001 Sb\n0.822503 0.645007 0.750000 Sb\n0.354994 0.177497 0.750000 Sb\n0.822502 0.177497 0.750000 Sb\n",
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"formula_full": "Si2 Sb6",
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"spacegroup": 194
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{
"id": "jvasp-104549",
"created_at": "2022-09-04T14:36:51.860383Z",
"updated_at": "2022-09-04T14:36:51.860418Z",
"structure_string": "Zr2 Ti6\n1.0\n6.024650 0.000000 0.000000\n-3.012325 5.217500 0.000000\n-0.000000 -0.000000 4.734119\nZr Ti\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666666 0.333333 0.250000 Zr\n0.159965 0.319931 0.250000 Ti\n0.680069 0.840035 0.250000 Ti\n0.159965 0.840035 0.250000 Ti\n0.840034 0.680070 0.750000 Ti\n0.319930 0.159965 0.750000 Ti\n0.840035 0.159965 0.750000 Ti\n",
"nsites": 8,
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"density": 5.240708140692141,
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{
"id": "jvasp-1270",
"created_at": "2022-09-04T14:37:01.053932Z",
"updated_at": "2022-09-04T14:37:01.053954Z",
"structure_string": "K2 S1\n1.0\n4.515935 0.000000 2.607277\n1.505311 4.257665 2.607277\n-0.000000 -0.000000 5.214553\nK S\n2 1\ndirect\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
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{
"id": "jvasp-104854",
"created_at": "2022-09-04T14:36:47.648793Z",
"updated_at": "2022-09-04T14:36:47.648825Z",
"structure_string": "Yb3 La1\n1.0\n5.125658 -0.000000 2.959300\n1.708553 4.832517 2.959300\n-0.000000 -0.000000 5.918600\nYb La\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 La\n",
"nsites": 4,
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{
"id": "jvasp-106580",
"created_at": "2022-09-04T14:37:00.850033Z",
"updated_at": "2022-09-04T14:37:00.850055Z",
"structure_string": "Pm1 Mg3\n1.0\n4.492121 -0.000000 2.593527\n1.497374 4.235212 2.593527\n-0.000000 -0.000000 5.187054\nPm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
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{
"id": "jvasp-18961",
"created_at": "2022-09-04T14:36:54.151770Z",
"updated_at": "2022-09-04T14:36:54.151786Z",
"structure_string": "Dy8 S12\n1.0\n3.861515 0.000000 0.000000\n-0.000000 10.437796 0.000000\n0.000000 0.000000 10.631410\nDy S\n8 12\ndirect\n0.250000 0.996715 0.807381 Dy\n0.750001 0.003285 0.192619 Dy\n0.750001 0.496715 0.692619 Dy\n0.250000 0.503285 0.307381 Dy\n0.250000 0.186908 0.489267 Dy\n0.750001 0.813092 0.510733 Dy\n0.750001 0.686909 0.010733 Dy\n0.250000 0.313092 0.989267 Dy\n0.750001 0.126353 0.954165 S\n0.250000 0.873647 0.045835 S\n0.250000 0.555726 0.880657 S\n0.750001 0.444275 0.119343 S\n0.750001 0.055725 0.619343 S\n0.750001 0.696973 0.272351 S\n0.250000 0.196973 0.227649 S\n0.750001 0.803028 0.772351 S\n0.750001 0.373647 0.454165 S\n0.250000 0.303028 0.727649 S\n0.250000 0.944275 0.380657 S\n0.250000 0.626353 0.545835 S\n",
"nsites": 20,
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"elements": [
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"density": 6.528823048420671,
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"volume": 428.5064839217997,
"volume_molar": 12.902631813748773,
"formula_full": "Dy8 S12",
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"formula_anonymous": "A2B3",
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"spacegroup": 62
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{
"id": "jvasp-18630",
"created_at": "2022-09-04T14:36:40.158489Z",
"updated_at": "2022-09-04T14:36:40.158507Z",
"structure_string": "Ba2 Zn4\n1.0\n4.600912 -0.000000 2.048917\n2.206756 5.618920 1.234865\n0.012697 0.015430 6.161698\nBa Zn\n2 4\ndirect\n0.750001 0.692117 0.807884 Ba\n0.250000 0.307884 0.192117 Ba\n0.576292 0.264473 0.582944 Zn\n0.423709 0.735527 0.417058 Zn\n0.076292 0.082943 0.764473 Zn\n0.923709 0.917057 0.235528 Zn\n",
"nsites": 6,
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"volume": 159.12910446460748,
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"formula_full": "Ba2 Zn4",
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{
"id": "jvasp-14892",
"created_at": "2022-09-04T14:36:38.445052Z",
"updated_at": "2022-09-04T14:36:38.445072Z",
"structure_string": "Cr4 Si4\n1.0\n4.609790 -0.000000 -0.000000\n-0.000000 4.609790 0.000000\n0.000000 -0.000000 4.609790\nCr Si\n4 4\ndirect\n0.862868 0.637132 0.362868 Cr\n0.637132 0.362868 0.862868 Cr\n0.362868 0.862868 0.637132 Cr\n0.137132 0.137132 0.137132 Cr\n0.152795 0.347205 0.652795 Si\n0.347205 0.652795 0.152795 Si\n0.652795 0.152795 0.347205 Si\n0.847205 0.847205 0.847205 Si\n",
"nsites": 8,
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{
"id": "jvasp-8707",
"created_at": "2022-09-04T14:36:47.645442Z",
"updated_at": "2022-09-04T14:36:47.645456Z",
"structure_string": "Sr2 Ag4\n1.0\n4.437432 0.000000 1.891372\n2.053508 5.629316 1.333287\n0.005322 0.031014 6.138629\nSr Ag\n2 4\ndirect\n0.958578 0.791422 0.291422 Sr\n0.041421 0.208578 0.708579 Sr\n0.663469 0.786255 0.886807 Ag\n0.336530 0.213745 0.113194 Ag\n0.336530 0.613193 0.713745 Ag\n0.663469 0.386807 0.286256 Ag\n",
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{
"id": "jvasp-8760",
"created_at": "2022-09-04T14:37:04.304261Z",
"updated_at": "2022-09-04T14:37:04.304281Z",
"structure_string": "Cu1 Cl4\n1.0\n7.367728 0.000000 -0.000000\n7.367728 6.486871 1.414154\n3.683865 4.991647 3.529227\nCu Cl\n1 4\ndirect\n0.236696 0.500123 0.026362 Cu\n0.120241 0.026034 0.207451 Cl\n0.646464 -0.026576 0.260222 Cl\n0.367750 0.500210 0.252982 Cl\n0.878849 0.500210 0.252982 Cl\n",
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