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{
"id": "jvasp-55150",
"created_at": "2022-09-04T14:38:17.185457Z",
"updated_at": "2022-09-04T14:38:17.185491Z",
"structure_string": "Lu1 Cu5\n1.0\n4.275329 -0.000000 2.468362\n1.425109 4.030819 2.468362\n-0.000000 -0.000000 4.936725\nLu Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Lu\n0.624129 0.624129 0.127612 Cu\n0.127613 0.624129 0.624128 Cu\n0.250000 0.250000 0.249999 Cu\n0.624129 0.127612 0.624128 Cu\n0.624129 0.624129 0.624128 Cu\n",
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{
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"structure_string": "Li1 Cu3\n1.0\n3.616733 0.000000 0.000000\n0.000000 3.616733 0.000000\n0.000000 0.000000 3.616733\nLi Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n",
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{
"id": "jvasp-108578",
"created_at": "2022-09-04T14:38:17.207677Z",
"updated_at": "2022-09-04T14:38:17.207711Z",
"structure_string": "K2 Tl1 Bi1 F6\n1.0\n5.935221 -0.000000 3.426702\n1.978407 5.595780 3.426702\n-0.000000 -0.000000 6.853403\nK Tl Bi F\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 Tl\n0.000000 0.000000 0.000000 Bi\n0.766961 0.233038 0.233038 F\n0.233039 0.233038 0.766961 F\n0.233039 0.766962 0.766961 F\n0.233039 0.766962 0.233038 F\n0.766961 0.233038 0.766961 F\n0.766962 0.766962 0.233038 F\n",
"nsites": 10,
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"density_atomic": 0.04393354047968922,
"volume": 227.61652921241503,
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"formula_full": "K2 Tl1 Bi1 F6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-55943",
"created_at": "2022-09-04T14:38:08.082366Z",
"updated_at": "2022-09-04T14:38:08.082379Z",
"structure_string": "Rb4 Cd4 Br12\n1.0\n4.243091 0.000000 0.000000\n0.000000 9.431519 0.000000\n0.000000 0.000000 15.661753\nRb Cd Br\n4 4 12\ndirect\n0.750000 0.572585 0.826779 Rb\n0.250000 0.427415 0.173220 Rb\n0.750000 0.072585 0.673220 Rb\n0.250000 0.927415 0.326779 Rb\n0.750000 0.834753 0.057617 Cd\n0.250000 0.165247 0.942382 Cd\n0.750000 0.334753 0.442382 Cd\n0.250000 0.665247 0.557617 Cd\n0.250000 0.028450 0.103381 Br\n0.750000 0.971550 0.896619 Br\n0.250000 0.666127 0.995351 Br\n0.750000 0.333873 0.004649 Br\n0.250000 0.166127 0.504649 Br\n0.250000 0.288372 0.788028 Br\n0.250000 0.788372 0.711972 Br\n0.750000 0.211628 0.288028 Br\n0.750000 0.471550 0.603381 Br\n0.750000 0.711628 0.211972 Br\n0.750000 0.833873 0.495351 Br\n0.250000 0.528450 0.396619 Br\n",
"nsites": 20,
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"elements": [
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"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 4.637382417301257,
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"volume": 626.7644573574903,
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"formula_full": "Rb4 Cd4 Br12",
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"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-109026",
"created_at": "2022-09-04T14:38:17.221749Z",
"updated_at": "2022-09-04T14:38:17.221784Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n4.463859 -0.000000 2.577210\n1.487953 4.208566 2.577210\n-0.000000 -0.000000 5.154420\nCa Zn Ga\n2 1 1\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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{
"id": "jvasp-109508",
"created_at": "2022-09-04T14:38:16.986917Z",
"updated_at": "2022-09-04T14:38:16.986946Z",
"structure_string": "Ca1 Ho1 Hg2\n1.0\n4.539178 -0.000000 2.620696\n1.513059 4.279578 2.620696\n-0.000000 -0.000000 5.241391\nCa Ho Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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"Ho",
"Hg"
],
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{
"id": "jvasp-64602",
"created_at": "2022-09-04T14:38:07.973781Z",
"updated_at": "2022-09-04T14:38:07.973800Z",
"structure_string": "Ba4 In1 Cl1\n1.0\n-0.000000 5.077144 5.077144\n5.077144 -0.000000 5.077144\n5.077144 5.077144 -0.000000\nBa In Cl\n4 1 1\ndirect\n0.124134 0.625289 0.625289 Ba\n0.625289 0.625289 0.625289 Ba\n0.625289 0.124134 0.625289 Ba\n0.625289 0.625289 0.124134 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cl\n",
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],
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"volume": 261.75105410032194,
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},
{
"id": "jvasp-109554",
"created_at": "2022-09-04T14:38:17.011038Z",
"updated_at": "2022-09-04T14:38:17.011062Z",
"structure_string": "Li1 Mg2 Ni1\n1.0\n3.852081 -0.000000 2.224000\n1.284027 3.631777 2.224000\n-0.000000 -0.000000 4.448000\nLi Mg Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750001 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
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"elements": [
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"volume": 62.22707154346378,
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},
{
"id": "jvasp-109849",
"created_at": "2022-09-04T14:38:08.042222Z",
"updated_at": "2022-09-04T14:38:08.042243Z",
"structure_string": "K2 In1 Cu1 Br6\n1.0\n6.537161 -0.000000 3.774232\n2.179054 6.163295 3.774232\n-0.000000 -0.000000 7.548464\nK In Cu Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744502 0.255497 0.255497 Br\n0.255497 0.255497 0.744502 Br\n0.255497 0.744502 0.744502 Br\n0.255497 0.744502 0.255497 Br\n0.744502 0.255497 0.744502 Br\n0.744502 0.744502 0.255497 Br\n",
"nsites": 10,
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],
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"density": 4.018436408318639,
"density_atomic": 0.032880565292217445,
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"formula_full": "K2 In1 Cu1 Br6",
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},
{
"id": "jvasp-109475",
"created_at": "2022-09-04T14:38:16.972453Z",
"updated_at": "2022-09-04T14:38:16.972474Z",
"structure_string": "Rb2 Tl1 Ag1 F6\n1.0\n5.556264 -0.000000 3.207910\n1.852088 5.238496 3.207910\n-0.000000 -0.000000 6.415821\nRb Tl Ag F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.756738 0.243262 0.243262 F\n0.243262 0.243262 0.756738 F\n0.243262 0.756739 0.756738 F\n0.243262 0.756739 0.243261 F\n0.756738 0.243262 0.756738 F\n0.756738 0.756739 0.243262 F\n",
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"density_atomic": 0.05354985165142854,
"volume": 186.7418805395184,
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"formula_full": "Rb2 Tl1 Ag1 F6",
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{
"id": "jvasp-36965",
"created_at": "2022-09-04T14:38:08.045428Z",
"updated_at": "2022-09-04T14:38:08.045452Z",
"structure_string": "Rb2 Pb2 Cl6\n1.0\n0.000000 4.270273 0.000054\n10.786260 0.000000 0.000000\n0.000000 -2.134149 -6.840926\nRb Pb Cl\n2 2 6\ndirect\n0.749216 0.009544 0.498446 Rb\n0.250784 0.509544 0.501555 Rb\n-0.000005 0.759540 -0.000012 Pb\n0.000005 0.259540 0.000012 Pb\n0.640633 0.706727 0.281230 Cl\n0.359367 0.206727 0.718771 Cl\n0.640645 0.312351 0.281255 Cl\n0.359355 0.812351 0.718746 Cl\n0.069369 0.009539 0.138803 Cl\n0.930631 0.509539 0.861198 Cl\n",
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"spacegroup": 63
},
{
"id": "jvasp-109658",
"created_at": "2022-09-04T14:38:16.940028Z",
"updated_at": "2022-09-04T14:38:16.940050Z",
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