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"id": "jvasp-21556",
"created_at": "2022-09-04T14:36:48.212932Z",
"updated_at": "2022-09-04T14:36:48.212946Z",
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{
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"structure_string": "Dy1 Tm1 Hg2\n1.0\n4.503708 -0.000000 2.600217\n1.501236 4.246136 2.600217\n-0.000000 -0.000000 5.200434\nDy Tm Hg\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750001 0.750000 Hg\n",
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{
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"updated_at": "2022-09-04T14:38:45.921860Z",
"structure_string": "Ag2 Sn1 Bi1 Se4\n1.0\n4.055200 -0.018899 13.035170\n1.965033 3.547344 13.035170\n-0.032246 -0.018899 13.651347\nAg Sn Bi Se\n2 1 1 4\ndirect\n0.506741 0.506741 0.506743 Ag\n0.242056 0.242056 0.242057 Ag\n0.757400 0.757399 0.757403 Sn\n0.995360 0.995359 0.995364 Bi\n0.874746 0.874746 0.874750 Se\n0.618888 0.618887 0.618890 Se\n0.374280 0.374280 0.374282 Se\n0.130525 0.130525 0.130525 Se\n",
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"density": 7.173754004865577,
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"volume": 198.89810677430734,
"volume_molar": 14.972404948654853,
"formula_full": "Ag2 Sn1 Bi1 Se4",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-107602",
"created_at": "2022-09-04T14:37:17.444785Z",
"updated_at": "2022-09-04T14:37:17.444810Z",
"structure_string": "K2 Na1 Al1 Cl6\n1.0\n6.112405 -0.000000 3.528999\n2.037468 5.762831 3.528999\n-0.000000 -0.000000 7.057997\nK Na Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.766639 0.233361 0.233361 Cl\n0.233362 0.233361 0.766639 Cl\n0.233362 0.766639 0.766639 Cl\n0.233362 0.766639 0.233361 Cl\n0.766639 0.233361 0.766639 Cl\n0.766640 0.766639 0.233361 Cl\n",
"nsites": 10,
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"formula_full": "K2 Na1 Al1 Cl6",
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{
"id": "jvasp-7723",
"created_at": "2022-09-04T14:36:36.670884Z",
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"structure_string": "Sr2 S6\n1.0\n5.400052 -0.006317 0.000000\n-0.677942 5.357331 0.000000\n0.000000 -0.000000 6.875470\nSr S\n2 6\ndirect\n0.001216 0.001216 0.000000 Sr\n0.501216 0.501215 0.500000 Sr\n0.537018 0.537017 0.000000 S\n0.037018 0.037018 0.500000 S\n0.191290 0.526577 0.859177 S\n0.526577 0.191289 0.140823 S\n0.691289 0.026577 0.640823 S\n0.026577 0.691289 0.359177 S\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:06.263430Z",
"updated_at": "2022-09-04T14:38:06.263462Z",
"structure_string": "Sr4 Ga8 As8\n1.0\n0.000000 9.655814 -0.005161\n4.096967 0.000000 0.000000\n0.000000 -1.225777 -12.566352\nSr Ga As\n4 8 8\ndirect\n0.500000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.201350 0.500000 0.775876 Sr\n0.798649 0.500000 0.224124 Sr\n0.600379 0.000000 0.446399 Ga\n0.107858 0.000000 0.062587 Ga\n0.392874 0.500000 0.218849 Ga\n0.892141 0.000000 0.937413 Ga\n0.194447 0.500000 0.323650 Ga\n0.399620 0.000000 0.553601 Ga\n0.805552 0.500000 0.676350 Ga\n0.607125 0.500000 0.781151 Ga\n0.260631 0.500000 0.031431 As\n0.951361 0.000000 0.742365 As\n0.448766 0.000000 0.754854 As\n0.048639 0.000000 0.257635 As\n0.551233 0.000000 0.245146 As\n0.757926 0.500000 0.475218 As\n0.739368 0.500000 0.968569 As\n0.242073 0.500000 0.524781 As\n",
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"volume": 497.14516517708006,
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"formula_full": "Sr4 Ga8 As8",
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"formula_anonymous": "AB2C2",
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"spacegroup": 10
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{
"id": "jvasp-35259",
"created_at": "2022-09-04T14:38:07.405105Z",
"updated_at": "2022-09-04T14:38:07.405139Z",
"structure_string": "Al2 Sb2\n1.0\n2.809034 3.312357 0.003599\n-2.809034 3.312357 0.003599\n0.000000 -0.006600 5.342379\nAl Sb\n2 2\ndirect\n0.371404 0.371404 0.750023 Al\n0.628597 0.628597 0.249977 Al\n0.793464 0.793464 0.749999 Sb\n0.206537 0.206537 0.250002 Sb\n",
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"density": 4.968805025880433,
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"formula_full": "Al2 Sb2",
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},
{
"id": "jvasp-42089",
"created_at": "2022-09-04T14:37:43.499811Z",
"updated_at": "2022-09-04T14:37:43.499836Z",
"structure_string": "Pa3 Sb1\n1.0\n4.632544 -0.000000 0.000000\n0.000000 4.632544 0.000000\n-0.000000 -0.000000 4.632544\nPa Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n0.500000 0.000000 0.500000 Pa\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-14993",
"created_at": "2022-09-04T14:36:45.994534Z",
"updated_at": "2022-09-04T14:36:45.994565Z",
"structure_string": "Tb1 As1\n1.0\n3.574172 0.000000 2.063549\n1.191390 3.369763 2.063549\n0.000000 0.000000 4.127099\nTb As\n1 1\ndirect\n0.500000 0.500000 0.500001 Tb\n0.000000 0.000000 0.000000 As\n",
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{
"id": "jvasp-35405",
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"updated_at": "2022-09-04T14:37:31.296766Z",
"structure_string": "Ti1 Cr2 Te4\n1.0\n-0.000000 3.951180 0.000000\n-0.028427 0.000000 7.035930\n6.271592 -1.975590 -3.414349\nTi Cr Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.257381 0.275043 0.514760 Cr\n0.742619 0.724957 0.485239 Cr\n0.122039 0.451370 0.244079 Te\n0.877960 0.548629 0.755920 Te\n0.367848 0.034335 0.735695 Te\n0.632152 0.965665 0.264304 Te\n",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:38:52.730505Z",
"updated_at": "2022-09-04T14:38:52.730531Z",
"structure_string": "Mg1 Se2\n1.0\n1.793342 -3.568046 -0.785312\n2.193349 3.798990 -0.000000\n-0.877633 0.506701 5.331486\nMg Se\n1 2\ndirect\n0.000000 0.333348 0.166667 Mg\n0.877341 0.771996 0.421616 Se\n0.122662 -0.105343 0.911719 Se\n",
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{
"id": "jvasp-65504",
"created_at": "2022-09-04T14:35:54.086317Z",
"updated_at": "2022-09-04T14:35:54.086343Z",
"structure_string": "Ba1 Hf2 Ru1\n1.0\n3.331581 -0.000000 0.000000\n-0.000000 3.332805 0.000000\n0.000000 0.000000 8.952815\nBa Hf Ru\n1 2 1\ndirect\n0.500000 0.499999 0.000000 Ba\n0.000000 0.000000 0.665493 Hf\n0.000000 0.000000 0.334508 Hf\n0.500000 0.499999 0.500000 Ru\n",
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}