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{
"id": "jvasp-16667",
"created_at": "2022-09-04T14:38:29.777663Z",
"updated_at": "2022-09-04T14:38:29.777687Z",
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{
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"structure_string": "Ca2 Pb2\n1.0\n4.563205 0.000000 0.000000\n0.000000 5.065384 0.000000\n0.000000 0.000000 5.065384\nCa Pb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500001 0.000000 0.500000 Pb\n0.500001 0.500000 0.000000 Pb\n",
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{
"id": "jvasp-36952",
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"structure_string": "K2 Ag2 Br6\n1.0\n6.490062 -0.059417 3.537791\n2.073834 6.150093 3.537791\n-0.083544 -0.059417 7.391204\nK Ag Br\n2 2 6\ndirect\n0.255551 0.255550 0.255551 K\n0.755551 0.755550 0.755551 K\n0.005749 0.005749 0.005749 Ag\n0.505749 0.505748 0.505748 Ag\n0.255712 0.819125 0.692363 Br\n0.819125 0.692363 0.255712 Br\n0.692364 0.255711 0.819125 Br\n0.192364 0.319125 0.755711 Br\n0.755712 0.192363 0.319126 Br\n0.319125 0.755711 0.192364 Br\n",
"nsites": 10,
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"formula_full": "K2 Ag2 Br6",
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{
"id": "jvasp-110058",
"created_at": "2022-09-04T14:38:27.381018Z",
"updated_at": "2022-09-04T14:38:27.381045Z",
"structure_string": "Yb2 Cd1 Ga1\n1.0\n4.482194 -0.000000 2.587796\n1.494065 4.225853 2.587796\n-0.000000 -0.000000 5.175592\nYb Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Yb\n0.749999 0.749999 0.750002 Yb\n0.499999 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "jvasp-10074",
"created_at": "2022-09-04T14:38:09.682945Z",
"updated_at": "2022-09-04T14:38:09.682961Z",
"structure_string": "Yb4 O4 F4\n1.0\n0.000000 5.499175 0.033654\n4.852949 0.000000 0.000000\n0.000000 -0.743113 -5.530167\nYb O F\n4 4 4\ndirect\n0.727274 0.500083 0.757287 Yb\n0.772726 0.000083 0.242715 Yb\n0.272726 0.499917 0.242714 Yb\n0.227274 0.999917 0.757287 Yb\n0.000492 0.656622 0.500340 O\n0.499508 0.156622 0.499661 O\n0.999508 0.343378 0.499662 O\n0.500491 0.843378 0.500340 O\n0.500067 0.253372 0.999820 F\n0.999932 0.753372 0.000182 F\n0.499932 0.746628 0.000182 F\n0.000068 0.246628 0.999819 F\n",
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"spacegroup": 12
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{
"id": "jvasp-56739",
"created_at": "2022-09-04T14:38:30.539553Z",
"updated_at": "2022-09-04T14:38:30.539581Z",
"structure_string": "Sr2 In8\n1.0\n5.216751 0.013259 -0.001557\n2.591761 6.085490 0.031555\n2.605372 1.855730 9.153613\nSr In\n2 8\ndirect\n0.835953 0.619674 0.708348 Sr\n0.164046 0.380326 0.291652 Sr\n0.155823 0.039197 0.649163 In\n0.565878 0.768180 0.101030 In\n0.844176 0.960803 0.350837 In\n0.422873 0.731308 0.422822 In\n0.434121 0.231820 0.898970 In\n0.847072 0.252400 0.052709 In\n0.577126 0.268693 0.577178 In\n0.152928 0.747600 0.947291 In\n",
"nsites": 10,
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"elements": [
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],
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"volume": 289.9932985994596,
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"formula_full": "Sr2 In8",
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"spacegroup": 12
},
{
"id": "jvasp-109854",
"created_at": "2022-09-04T14:38:17.815546Z",
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"structure_string": "K2 Y1 Ag1 F6\n1.0\n5.557927 -0.000000 3.208871\n1.852642 5.240064 3.208871\n-0.000000 -0.000000 6.417741\nK Y Ag F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.737261 0.262739 0.262739 F\n0.262739 0.262739 0.737261 F\n0.262739 0.737260 0.737261 F\n0.262739 0.737260 0.262739 F\n0.737261 0.262739 0.737260 F\n0.737261 0.737260 0.262739 F\n",
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"F"
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"density": 3.4556012055333247,
"density_atomic": 0.05350179883076819,
"volume": 186.90960338793562,
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"formula_full": "K2 Y1 Ag1 F6",
"formula_reduced": "K2YAgF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-77457",
"created_at": "2022-09-04T14:38:10.200062Z",
"updated_at": "2022-09-04T14:38:10.200091Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-13.935558 2.847807 -10.370923\n-7.975264 1.175267 -2.701055\n-7.613287 4.010226 -4.806801\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.661570 0.823064 0.176939 Ca\n0.338427 0.176938 0.823065 Ca\n0.499999 0.000001 0.000001 Ag\n",
"nsites": 4,
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"formula_full": "Li1 Ca2 Ag1",
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"spacegroup": 71
},
{
"id": "jvasp-109415",
"created_at": "2022-09-04T14:38:17.854222Z",
"updated_at": "2022-09-04T14:38:17.854259Z",
"structure_string": "Ba1 Zn1 In3\n1.0\n4.508621 -0.047889 -5.226933\n-0.658884 4.460474 -5.226933\n0.041780 0.047889 6.902662\nBa Zn In\n1 1 3\ndirect\n0.002993 0.002993 0.000000 Ba\n0.618988 0.618987 0.000000 Zn\n0.742199 0.242199 0.500000 In\n0.242200 0.742199 0.500000 In\n0.393620 0.393620 0.000000 In\n",
"nsites": 5,
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},
{
"id": "jvasp-108664",
"created_at": "2022-09-04T14:38:08.596202Z",
"updated_at": "2022-09-04T14:38:08.596225Z",
"structure_string": "Pm1 Cd1 Cu2\n1.0\n4.123828 -0.000000 2.380893\n1.374609 3.887983 2.380893\n-0.000000 -0.000000 4.761787\nPm Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Cd\n0.750001 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
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{
"id": "jvasp-40495",
"created_at": "2022-09-04T14:38:16.129491Z",
"updated_at": "2022-09-04T14:38:16.129512Z",
"structure_string": "Ca2 Ag1 Sn1\n1.0\n0.000000 3.746100 3.746100\n3.746100 -0.000000 3.746100\n3.746100 3.746100 0.000000\nCa Ag Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250001 0.250001 0.250001 Ag\n0.750000 0.750000 0.750000 Sn\n",
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{
"id": "jvasp-65068",
"created_at": "2022-09-04T14:38:08.532377Z",
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"structure_string": "Ca4 Mg1 Be1\n1.0\n0.000000 4.683459 4.683459\n4.683459 -0.000000 4.683459\n4.683459 4.683459 -0.000000\nCa Mg Be\n4 1 1\ndirect\n0.124289 0.625238 0.625238 Ca\n0.625238 0.625238 0.625238 Ca\n0.625238 0.124289 0.625238 Ca\n0.625238 0.625238 0.124289 Ca\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n",
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