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{
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{
"id": "jvasp-64870",
"created_at": "2022-09-04T14:38:13.048089Z",
"updated_at": "2022-09-04T14:38:13.048118Z",
"structure_string": "Ba4 Cd1 Cu1\n1.0\n-0.000000 5.144214 5.144214\n5.144214 -0.000000 5.144214\n5.144214 5.144214 0.000000\nBa Cd Cu\n4 1 1\ndirect\n0.125111 0.624963 0.624963 Ba\n0.624963 0.624963 0.624963 Ba\n0.624963 0.125111 0.624963 Ba\n0.624963 0.624963 0.125111 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "jvasp-12540",
"created_at": "2022-09-04T14:38:06.331126Z",
"updated_at": "2022-09-04T14:38:06.331153Z",
"structure_string": "K4 Zn2 Br8\n1.0\n0.000000 7.252918 -0.034134\n7.440578 0.000000 0.000000\n0.000000 -2.843582 -8.427289\nK Zn Br\n4 2 8\ndirect\n0.233226 0.773507 0.430980 K\n0.766775 0.273507 0.569020 K\n0.282367 0.770985 0.947504 K\n0.717634 0.270985 0.052495 K\n0.719601 0.738550 0.797877 Zn\n0.280399 0.238550 0.202123 Zn\n0.903650 0.708808 0.077327 Br\n0.096350 0.208808 0.922673 Br\n0.917207 0.716393 0.623700 Br\n0.082794 0.216393 0.376300 Br\n0.519771 0.007397 0.744998 Br\n0.480230 0.507397 0.255001 Br\n0.474830 0.499552 0.731707 Br\n0.525170 0.999552 0.268293 Br\n",
"nsites": 14,
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"formula_full": "K4 Zn2 Br8",
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{
"id": "jvasp-16500",
"created_at": "2022-09-04T14:38:12.861605Z",
"updated_at": "2022-09-04T14:38:12.861631Z",
"structure_string": "Tb1 Cu5\n1.0\n2.519612 -4.364097 -0.000000\n2.519612 4.364097 0.000000\n0.000000 -0.000000 4.103107\nTb Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Tb\n-0.000000 0.500000 0.500000 Cu\n0.333332 0.666667 0.000000 Cu\n0.666667 0.333332 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n",
"nsites": 6,
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"elements": [
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"volume": 90.23414369187742,
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"spacegroup": 191
},
{
"id": "jvasp-20800",
"created_at": "2022-09-04T14:38:20.317653Z",
"updated_at": "2022-09-04T14:38:20.317673Z",
"structure_string": "Ca1 F2\n1.0\n3.347562 0.000000 1.932716\n1.115854 3.156111 1.932716\n-0.000000 0.000000 3.865432\nCa F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.750000 0.750002 F\n0.250000 0.250000 0.250001 F\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.07345854447693179,
"volume": 40.839360776364025,
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"formula_full": "Ca1 F2",
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"spacegroup": 225
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{
"id": "jvasp-40505",
"created_at": "2022-09-04T14:38:06.123378Z",
"updated_at": "2022-09-04T14:38:06.123395Z",
"structure_string": "Ba2 Hg6\n1.0\n3.613616 -6.258967 0.000000\n3.613616 6.258967 0.000000\n-0.000000 -0.000000 5.410766\nBa Hg\n2 6\ndirect\n0.333333 0.666668 0.750001 Ba\n0.666668 0.333333 0.250000 Ba\n0.695259 0.847630 0.250000 Hg\n0.152371 0.847630 0.250000 Hg\n0.152371 0.304742 0.250000 Hg\n0.304742 0.152371 0.750001 Hg\n0.847630 0.152371 0.750001 Hg\n0.847630 0.695259 0.750001 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Ba-Hg",
"density": 10.028757323024365,
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"volume": 244.75603566339848,
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"formula_full": "Ba2 Hg6",
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"spacegroup": 194
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{
"id": "jvasp-109477",
"created_at": "2022-09-04T14:38:26.877831Z",
"updated_at": "2022-09-04T14:38:26.877849Z",
"structure_string": "K3 Y1 I6\n1.0\n7.647886 -0.000000 4.415509\n2.549295 7.210496 4.415509\n-0.000000 -0.000000 8.831018\nK Y I\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.760365 0.239636 0.239636 I\n0.239636 0.239636 0.760364 I\n0.239636 0.760365 0.760364 I\n0.239636 0.760365 0.239635 I\n0.760365 0.239636 0.760364 I\n0.760365 0.760365 0.239635 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.2994383310176882,
"density_atomic": 0.020534431511903418,
"volume": 486.98694162549333,
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"formula_full": "K3 Y1 I6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-64194",
"created_at": "2022-09-04T14:38:13.021285Z",
"updated_at": "2022-09-04T14:38:13.021298Z",
"structure_string": "Ba4 Hg1 Ge1\n1.0\n0.000000 4.959357 4.959357\n4.959357 0.000000 4.959357\n4.959357 4.959357 0.000000\nBa Hg Ge\n4 1 1\ndirect\n0.127811 0.624064 0.624064 Ba\n0.624064 0.624064 0.624064 Ba\n0.624064 0.127811 0.624064 Ba\n0.624064 0.624064 0.127811 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Ge\n",
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"Ge"
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"volume": 243.95297133091051,
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"formula_full": "Ba4 Hg1 Ge1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-33830",
"created_at": "2022-09-04T14:38:06.207491Z",
"updated_at": "2022-09-04T14:38:06.207508Z",
"structure_string": "Lu2 Br6\n1.0\n9.573194 -0.000000 0.000000\n-4.786597 8.290631 0.000000\n-0.000000 -0.000000 3.647041\nLu Br\n2 6\ndirect\n0.333333 0.666666 0.750001 Lu\n0.666668 0.333333 0.250000 Lu\n0.208396 0.416794 0.250000 Br\n0.583205 0.791603 0.250000 Br\n0.208397 0.791603 0.250000 Br\n0.791603 0.583207 0.750001 Br\n0.416793 0.208397 0.750001 Br\n0.791603 0.208397 0.750001 Br\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Br-Lu",
"density": 4.757798489548224,
"density_atomic": 0.027637890726732114,
"volume": 289.45768977450166,
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"formula_full": "Lu2 Br6",
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"spacegroup": 194
},
{
"id": "jvasp-109446",
"created_at": "2022-09-04T14:38:26.295102Z",
"updated_at": "2022-09-04T14:38:26.295126Z",
"structure_string": "K2 Li1 In1 Cl6\n1.0\n6.159995 -0.000000 3.556475\n2.053332 5.807699 3.556475\n-0.000000 -0.000000 7.112950\nK Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 In\n0.749171 0.250830 0.250829 Cl\n0.250830 0.250830 0.749169 Cl\n0.250830 0.749169 0.749169 Cl\n0.250830 0.749170 0.250829 Cl\n0.749171 0.250830 0.749169 Cl\n0.749171 0.749170 0.250828 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 254.468608679265,
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"formula_full": "K2 Li1 In1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-38055",
"created_at": "2022-09-04T14:38:06.220401Z",
"updated_at": "2022-09-04T14:38:06.220423Z",
"structure_string": "Rb2 S1 Br1 Cl6\n1.0\n-0.000000 5.246253 5.246253\n5.246253 0.000000 5.246253\n5.246253 5.246253 -0.000000\nRb S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.224325 0.775674 0.775674 Cl\n0.224325 0.775674 0.224325 Cl\n0.775674 0.224325 0.775674 Cl\n0.775674 0.775674 0.224325 Cl\n0.224325 0.224325 0.775674 Cl\n0.775674 0.224325 0.224325 Cl\n",
"nsites": 10,
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{
"id": "jvasp-108024",
"created_at": "2022-09-04T14:38:12.952306Z",
"updated_at": "2022-09-04T14:38:12.952328Z",
"structure_string": "Ce1 Cd2 Cu1\n1.0\n4.312633 0.000000 2.489900\n1.437544 4.065990 2.489900\n0.000000 0.000000 4.979800\nCe Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Cd\n0.499999 0.500000 0.500000 Cd\n0.749999 0.750000 0.750001 Cu\n",
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{
"id": "jvasp-108604",
"created_at": "2022-09-04T14:38:06.224053Z",
"updated_at": "2022-09-04T14:38:06.224063Z",
"structure_string": "Rb2 Y1 Hg1 F6\n1.0\n5.752607 -0.000000 3.321269\n1.917536 5.423610 3.321269\n-0.000000 -0.000000 6.642538\nRb Y Hg F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500000 Hg\n0.770023 0.229977 0.229977 F\n0.229978 0.229977 0.770023 F\n0.229978 0.770023 0.770023 F\n0.229978 0.770023 0.229977 F\n0.770023 0.229977 0.770023 F\n0.770024 0.770023 0.229977 F\n",
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}