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{
"id": "jvasp-38895",
"created_at": "2022-09-04T14:38:13.179590Z",
"updated_at": "2022-09-04T14:38:13.179607Z",
"structure_string": "Tm2 Tl1 Cd1\n1.0\n-0.000000 3.695099 3.695099\n3.695099 0.000000 3.695099\n3.695099 3.695099 -0.000000\nTm Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Cd\n",
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{
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"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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{
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"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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"density_atomic": 0.03462759366202714,
"volume": 288.7870320300677,
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"formula_full": "Rb2 S1 Br1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-109468",
"created_at": "2022-09-04T14:38:19.184660Z",
"updated_at": "2022-09-04T14:38:19.184689Z",
"structure_string": "Na3 As1 Cl6\n1.0\n6.266650 -0.000000 3.618052\n2.088883 5.908254 3.618052\n-0.000000 -0.000000 7.236104\nNa As Cl\n3 1 6\ndirect\n0.750000 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757083 0.242917 0.242916 Cl\n0.242917 0.242917 0.757083 Cl\n0.242917 0.757083 0.757083 Cl\n0.242917 0.757083 0.242917 Cl\n0.757083 0.242917 0.757083 Cl\n0.757083 0.757083 0.242917 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 267.9164606428003,
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"formula_full": "Na3 As1 Cl6",
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{
"id": "jvasp-109640",
"created_at": "2022-09-04T14:38:17.697850Z",
"updated_at": "2022-09-04T14:38:17.697888Z",
"structure_string": "Tl2 Co1 F4\n1.0\n3.976240 0.034123 -6.451439\n-0.290450 3.965764 -6.451439\n-0.031444 -0.034123 7.578295\nTl Co F\n2 1 4\ndirect\n0.350686 0.350686 -0.000001 Tl\n0.649314 0.649313 -0.000001 Tl\n0.000000 0.000000 0.000000 Co\n0.145301 0.145301 -0.000000 F\n0.854699 0.854697 -0.000002 F\n0.500001 0.000000 0.500001 F\n0.000000 0.500000 0.500001 F\n",
"nsites": 7,
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{
"id": "jvasp-22948",
"created_at": "2022-09-04T14:38:19.178790Z",
"updated_at": "2022-09-04T14:38:19.178816Z",
"structure_string": "Yb2 Ga14 Au6\n1.0\n7.197922 -0.038178 4.529609\n2.482326 6.756448 4.529609\n-0.055009 -0.038178 8.504376\nYb Ga Au\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.426921 0.646242 0.828584 Ga\n0.171417 0.573079 0.353758 Ga\n0.328584 0.146242 0.926921 Ga\n0.146242 0.926921 0.328584 Ga\n0.750000 0.750000 0.750001 Ga\n0.250000 0.250000 0.250000 Ga\n0.926921 0.328583 0.146243 Ga\n0.573079 0.353758 0.171417 Ga\n0.073080 0.671416 0.853758 Ga\n0.853758 0.073079 0.671417 Ga\n0.671417 0.853758 0.073080 Ga\n0.828584 0.426920 0.646243 Ga\n0.646242 0.828583 0.426921 Ga\n0.353758 0.171416 0.573080 Ga\n0.750000 0.067044 0.432956 Au\n0.067045 0.432955 0.750001 Au\n0.567045 0.250000 0.932956 Au\n0.250000 0.932955 0.567045 Au\n0.932956 0.567044 0.250000 Au\n0.432956 0.750000 0.067045 Au\n",
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"density_atomic": 0.05277012676753139,
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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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"density": 4.757798489548224,
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"volume": 289.45768977450166,
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"formula_full": "Lu2 Br6",
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"spacegroup": 194
},
{
"id": "jvasp-21506",
"created_at": "2022-09-04T14:38:19.154786Z",
"updated_at": "2022-09-04T14:38:19.154812Z",
"structure_string": "Rb2 Ag2 F6\n1.0\n5.413551 -0.151587 -3.001905\n-3.500161 5.104451 -0.185471\n-0.103945 0.151587 6.189278\nRb Ag F\n2 2 6\ndirect\n0.000000 0.250000 0.250000 Rb\n0.000001 0.750000 0.750001 Rb\n0.500000 0.500000 0.000000 Ag\n0.500000 -0.000000 0.500001 Ag\n0.000977 0.250488 0.750488 F\n0.500001 0.750488 0.749513 F\n0.500000 0.249512 0.250488 F\n0.999023 0.749512 0.249513 F\n0.500000 0.750000 0.250001 F\n0.500001 0.250000 0.750001 F\n",
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{
"id": "jvasp-76954",
"created_at": "2022-09-04T14:38:13.081800Z",
"updated_at": "2022-09-04T14:38:13.081810Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-11.992578 2.822820 -2.314273\n-8.789672 0.578163 0.987239\n-7.312284 4.756848 -1.571672\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000001 0.000000 Sc\n0.749943 0.000029 0.000028 Hg\n0.250056 -0.000028 -0.000028 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-109854",
"created_at": "2022-09-04T14:38:17.815546Z",
"updated_at": "2022-09-04T14:38:17.815570Z",
"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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{
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"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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{
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"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",
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}