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{
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{
"id": "jvasp-32684",
"created_at": "2022-09-04T14:36:44.169522Z",
"updated_at": "2022-09-04T14:36:44.169543Z",
"structure_string": "Zn1 Sb2 Xe6 F24\n1.0\n8.446112 -0.017361 4.051304\n2.542827 8.054262 4.051304\n-0.023739 -0.017361 9.367460\nZn Sb Xe F\n1 2 6 24\ndirect\n0.000000 0.000000 0.000000 Zn\n0.253525 0.253525 0.253525 Sb\n0.746475 0.746475 0.746475 Sb\n0.786264 0.267649 0.693865 Xe\n0.693865 0.786264 0.267648 Xe\n0.213736 0.732351 0.306134 Xe\n0.306134 0.213736 0.732351 Xe\n0.267649 0.693865 0.786263 Xe\n0.732351 0.306135 0.213736 Xe\n0.871786 0.902012 0.615397 F\n0.615397 0.871786 0.902012 F\n0.097988 0.384602 0.128214 F\n0.627056 0.584729 0.872817 F\n0.117040 0.947482 0.780983 F\n0.384602 0.128214 0.097987 F\n0.780177 0.412933 0.459943 F\n0.415271 0.127183 0.372944 F\n0.219823 0.587067 0.540056 F\n0.902012 0.615398 0.871786 F\n0.219017 0.882960 0.052518 F\n0.459944 0.780177 0.412933 F\n0.540056 0.219823 0.587067 F\n0.780983 0.117040 0.947481 F\n0.412933 0.459943 0.780177 F\n0.127183 0.372944 0.415271 F\n0.584729 0.872817 0.627056 F\n0.128214 0.097988 0.384602 F\n0.372944 0.415271 0.127182 F\n0.882960 0.052518 0.219016 F\n0.872817 0.627056 0.584728 F\n0.052518 0.219016 0.882961 F\n0.947482 0.780984 0.117039 F\n0.587067 0.540057 0.219823 F\n",
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"formula_full": "Zn1 Sb2 Xe6 F24",
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{
"id": "jvasp-102548",
"created_at": "2022-09-04T14:36:44.126339Z",
"updated_at": "2022-09-04T14:36:44.126366Z",
"structure_string": "Pm1 Ho1 Zn2\n1.0\n4.391079 -0.000000 2.535190\n1.463693 4.139949 2.535190\n0.000000 -0.000000 5.070381\nPm Ho Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"Ho",
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"formula_full": "Pm1 Ho1 Zn2",
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"spacegroup": 225
},
{
"id": "jvasp-105125",
"created_at": "2022-09-04T14:36:51.467098Z",
"updated_at": "2022-09-04T14:36:51.467129Z",
"structure_string": "Ca2 Tl1 Hg1\n1.0\n4.659552 -0.000000 2.690193\n1.553184 4.393067 2.690193\n-0.000000 -0.000000 5.380387\nCa Tl Hg\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
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"density": 7.314440278913215,
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"volume": 110.13503758103067,
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"formula_full": "Ca2 Tl1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-99741",
"created_at": "2022-09-04T14:36:44.057191Z",
"updated_at": "2022-09-04T14:36:44.057210Z",
"structure_string": "Rb2 Pd1\n1.0\n4.979376 0.010823 2.757701\n1.714183 4.675027 2.757701\n0.100951 0.070671 5.689986\nRb Pd\n2 1\ndirect\n0.250073 0.250073 0.249971 Rb\n0.749927 0.749927 0.750030 Rb\n0.000000 0.000000 0.000000 Pd\n",
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"density": 3.5314892954985555,
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"volume": 130.41517915043366,
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"formula_full": "Rb2 Pd1",
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{
"id": "jvasp-56906",
"created_at": "2022-09-04T14:36:50.971710Z",
"updated_at": "2022-09-04T14:36:50.971729Z",
"structure_string": "Li1 In1 Ag2\n1.0\n4.050179 0.000000 2.338371\n1.350059 3.818544 2.338371\n0.000000 0.000000 4.676744\nLi In Ag\n1 1 2\ndirect\n0.500000 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ag\n0.750001 0.749999 0.749999 Ag\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-31822",
"created_at": "2022-09-04T14:37:04.274298Z",
"updated_at": "2022-09-04T14:37:04.274317Z",
"structure_string": "Sb2 Kr6 F22\n1.0\n7.136516 -0.068229 3.511253\n-0.338832 7.952100 2.999912\n-0.065096 0.014342 8.976062\nSb Kr F\n2 6 22\ndirect\n0.292329 0.678139 0.780504 Sb\n0.707671 0.321861 0.219495 Sb\n0.807686 0.854689 0.712179 Kr\n0.192314 0.145311 0.287820 Kr\n0.227146 0.164517 0.778034 Kr\n0.772855 0.835483 0.221966 Kr\n0.693602 0.330389 0.726750 Kr\n0.306398 0.669610 0.273249 Kr\n0.128549 0.555215 0.260792 F\n0.871452 0.444785 0.739207 F\n0.774789 0.444895 0.330666 F\n0.225211 0.555105 0.669334 F\n0.484266 0.799669 0.312017 F\n0.515734 0.200331 0.687982 F\n0.669043 0.530523 0.063622 F\n0.024065 0.893130 0.148662 F\n0.036673 0.681651 0.939788 F\n0.632586 0.198304 0.113601 F\n0.367414 0.801696 0.886399 F\n0.448735 0.317630 0.380838 F\n0.551265 0.682369 0.619161 F\n0.261661 0.887625 0.619065 F\n0.738339 0.112374 0.380934 F\n0.674294 0.927796 0.915059 F\n0.325706 0.072204 0.084940 F\n0.946465 0.790710 0.504324 F\n0.053535 0.209289 0.495675 F\n0.975935 0.106870 0.851337 F\n0.963327 0.318348 0.060212 F\n0.330957 0.469477 0.936377 F\n",
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"volume": 510.69341534249264,
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"formula_full": "Sb2 Kr6 F22",
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"spacegroup": 2
},
{
"id": "jvasp-102286",
"created_at": "2022-09-04T14:36:50.960461Z",
"updated_at": "2022-09-04T14:36:50.960487Z",
"structure_string": "Na3 In1\n1.0\n4.742643 0.000000 2.738166\n1.580881 4.471406 2.738166\n-0.000000 0.000000 5.476332\nNa In\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750001 0.750001 Na\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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},
{
"id": "jvasp-106540",
"created_at": "2022-09-04T14:36:58.075369Z",
"updated_at": "2022-09-04T14:36:58.075394Z",
"structure_string": "K1 Ca3\n1.0\n5.506469 -0.000000 3.179161\n1.835490 5.191548 3.179161\n-0.000000 -0.000000 6.358322\nK Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.749999 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
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"elements": [
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],
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},
{
"id": "jvasp-105072",
"created_at": "2022-09-04T14:36:50.615070Z",
"updated_at": "2022-09-04T14:36:50.615091Z",
"structure_string": "Rb2 Li1 Tb1 Cl6\n1.0\n6.311053 -0.000000 3.643688\n2.103684 5.950118 3.643688\n-0.000000 -0.000000 7.287377\nTb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.744948 0.255051 0.255052 Cl\n0.255051 0.255051 0.744950 Cl\n0.255050 0.744949 0.744950 Cl\n0.255050 0.744949 0.255052 Cl\n0.744948 0.255051 0.744950 Cl\n0.744948 0.744949 0.255052 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03654276091369249,
"volume": 273.6520106846394,
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"formula_full": "Rb2 Li1 Tb1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102304",
"created_at": "2022-09-04T14:36:42.419404Z",
"updated_at": "2022-09-04T14:36:42.419427Z",
"structure_string": "Rb2 Li1 Yb1 Cl6\n1.0\n6.281352 -0.000000 3.626541\n2.093784 5.922116 3.626541\n-0.000000 -0.000000 7.253081\nYb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.499999 0.500000 0.500000 Li\n0.742020 0.257979 0.257979 Cl\n0.257978 0.742021 0.742021 Cl\n0.257978 0.742021 0.257979 Cl\n0.742020 0.257979 0.742021 Cl\n0.257979 0.257979 0.742021 Cl\n0.742020 0.742021 0.257979 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.03706358556572365,
"volume": 269.8065998570841,
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"formula_full": "Rb2 Li1 Yb1 Cl6",
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{
"id": "jvasp-85140",
"created_at": "2022-09-04T14:36:52.634534Z",
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"structure_string": "Eu1 Zn1 Ge1\n1.0\n4.203181 -0.000020 0.000000\n-2.101608 3.640096 0.000000\n0.000000 0.000000 4.122884\nEu Zn Ge\n1 1 1\ndirect\n0.999897 0.999898 0.000000 Eu\n0.333229 0.666562 0.500000 Zn\n0.666574 0.333243 0.500000 Ge\n",
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},
{
"id": "jvasp-102420",
"created_at": "2022-09-04T14:36:42.415627Z",
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"structure_string": "Rb2 Tl2 Cl6\n1.0\n6.781208 -0.000000 3.915132\n2.260403 6.393384 3.915132\n-0.000000 -0.000000 7.830264\nRb Tl Cl\n2 2 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.762982 0.237018 0.237018 Cl\n0.237018 0.237018 0.762981 Cl\n0.237018 0.762982 0.762982 Cl\n0.237018 0.762982 0.237018 Cl\n0.762982 0.237018 0.762981 Cl\n0.762982 0.762982 0.237018 Cl\n",
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}
]
}