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"results": [
{
"id": "jvasp-56624",
"created_at": "2022-09-04T14:37:03.049973Z",
"updated_at": "2022-09-04T14:37:03.049987Z",
"structure_string": "Rb2 Li2 Mo2 O8\n1.0\n5.416465 0.012991 -1.448061\n-2.900973 4.794352 -0.183549\n0.073394 -0.032203 9.855301\nRb Li Mo O\n2 2 2 8\ndirect\n0.973819 0.463330 0.498301 Rb\n0.034970 0.024483 0.998301 Rb\n0.740839 0.364515 0.127924 Li\n0.763409 0.887086 0.627924 Li\n0.501526 0.251877 0.751931 Mo\n0.500055 0.750406 0.251931 Mo\n0.134029 0.492887 0.226483 O\n0.630947 0.215482 0.929396 O\n0.525437 0.071859 0.221887 O\n0.150028 0.196451 0.721886 O\n0.713914 0.798449 0.429396 O\n0.492656 0.004497 0.629079 O\n0.624582 0.636422 0.129079 O\n0.733596 0.592455 0.726484 O\n",
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{
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"updated_at": "2022-09-04T14:36:20.773749Z",
"structure_string": "Rb2 Li1 Mo1 I6\n1.0\n7.020683 0.000000 4.053394\n2.340227 6.619164 4.053394\n-0.000000 -0.000000 8.106787\nRb Li Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.755237 0.244763 0.244763 I\n0.244763 0.244763 0.755237 I\n0.244763 0.755236 0.755237 I\n0.244763 0.755236 0.244763 I\n0.755237 0.244763 0.755237 I\n0.755237 0.755236 0.244763 I\n",
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"volume": 376.7309216000683,
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"formula_full": "Rb2 Li1 Mo1 I6",
"formula_reduced": "Rb2LiMoI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109892",
"created_at": "2022-09-04T14:37:51.185156Z",
"updated_at": "2022-09-04T14:37:51.185165Z",
"structure_string": "Rb2 Li1 Mo1 Cl6\n1.0\n6.115988 -0.000000 3.531067\n2.038663 5.766209 3.531067\n-0.000000 -0.000000 7.062134\nRb Li Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.754305 0.245695 0.245695 Cl\n0.245695 0.245695 0.754305 Cl\n0.245694 0.754305 0.754305 Cl\n0.245694 0.754305 0.245695 Cl\n0.754305 0.245695 0.754305 Cl\n0.754305 0.754305 0.245695 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Li-Mo-Rb",
"density": 3.2439180187171286,
"density_atomic": 0.04015198698996095,
"volume": 249.05367703222913,
"volume_molar": 14.99836299883663,
"formula_full": "Rb2 Li1 Mo1 Cl6",
"formula_reduced": "Rb2LiMoCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102414",
"created_at": "2022-09-04T14:36:45.331588Z",
"updated_at": "2022-09-04T14:36:45.331607Z",
"structure_string": "Rb2 Li1 Mo1 Br6\n1.0\n6.492559 -0.000000 3.748481\n2.164186 6.121244 3.748481\n-0.000000 -0.000000 7.496962\nRb Li Mo Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.754274 0.245726 0.245726 Br\n0.245727 0.245726 0.754273 Br\n0.245727 0.754273 0.754273 Br\n0.245727 0.754273 0.245726 Br\n0.754274 0.245726 0.754273 Br\n0.754274 0.754273 0.245726 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Li",
"Mo",
"Br"
],
"chemical_system": "Br-Li-Mo-Rb",
"density": 4.1979949551299045,
"density_atomic": 0.03356287026787818,
"volume": 297.9482958455625,
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"formula_full": "Rb2 Li1 Mo1 Br6",
"formula_reduced": "Rb2LiMoBr6",
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"spacegroup": 225
},
{
"id": "jvasp-109150",
"created_at": "2022-09-04T14:37:58.399469Z",
"updated_at": "2022-09-04T14:37:58.399496Z",
"structure_string": "Rb1 Li1 Mn1 S2\n1.0\n3.757001 0.004262 -5.943106\n-0.311451 3.744071 -5.943106\n-0.003917 -0.004262 7.031042\nRb Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.499999 Li\n0.750000 0.250000 0.499999 Mn\n0.660641 0.660640 -0.000001 S\n0.339359 0.339359 -0.000001 S\n",
"nsites": 5,
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],
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"density_atomic": 0.0506476709651097,
"volume": 98.72122260951373,
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"formula_full": "Rb1 Li1 Mn1 S2",
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"formula_anonymous": "ABCD2",
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},
{
"id": "jvasp-107863",
"created_at": "2022-09-04T14:37:49.525835Z",
"updated_at": "2022-09-04T14:37:49.525860Z",
"structure_string": "Rb2 Li1 Lu1 Cl6\n1.0\n6.237490 -0.000000 3.601217\n2.079163 5.880762 3.601217\n-0.000000 -0.000000 7.202433\nRb Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.748438 0.251562 0.251563 Cl\n0.251562 0.251562 0.748438 Cl\n0.251562 0.748438 0.748438 Cl\n0.251562 0.748438 0.251563 Cl\n0.748438 0.251562 0.748438 Cl\n0.748437 0.748438 0.251563 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.5547275419386275,
"density_atomic": 0.03785099559164031,
"volume": 264.19384335054525,
"volume_molar": 15.910125125823734,
"formula_full": "Rb2 Li1 Lu1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-101520",
"created_at": "2022-09-04T14:37:05.454814Z",
"updated_at": "2022-09-04T14:37:05.454833Z",
"structure_string": "Rb2 Li1 La1 Cl6\n1.0\n6.452386 -0.000000 3.725287\n2.150795 6.083368 3.725287\n-0.000000 -0.000000 7.450573\nRb Li La Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.739020 0.260981 0.260980 Cl\n0.260981 0.260981 0.739019 Cl\n0.260981 0.739020 0.739019 Cl\n0.260981 0.739020 0.260980 Cl\n0.739020 0.260981 0.739019 Cl\n0.739020 0.739020 0.260980 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 292.45166847722726,
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"formula_full": "Rb2 Li1 La1 Cl6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-38120",
"created_at": "2022-09-04T14:38:01.012281Z",
"updated_at": "2022-09-04T14:38:01.012307Z",
"structure_string": "Rb2 Li1 In1 Cl6\n1.0\n0.000000 5.069059 5.069059\n5.069059 0.000000 5.069059\n5.069059 5.069059 0.000000\nRb Li In 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 Li\n0.500000 0.500000 0.500000 In\n0.250192 0.749808 0.749808 Cl\n0.250192 0.749808 0.250192 Cl\n0.749808 0.250192 0.749808 Cl\n0.749808 0.749808 0.250192 Cl\n0.250192 0.250192 0.749808 Cl\n0.749808 0.250192 0.250192 Cl\n",
"nsites": 10,
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"elements": [
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],
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"volume": 260.5025830692656,
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},
{
"id": "jvasp-26946",
"created_at": "2022-09-04T14:38:36.342802Z",
"updated_at": "2022-09-04T14:38:36.342831Z",
"structure_string": "Rb4 Li4 H16 N8\n1.0\n3.824168 -0.000000 0.000000\n0.000000 7.738761 0.000000\n0.000000 0.000000 11.401553\nRb Li H N\n4 4 16 8\ndirect\n0.750000 0.872015 0.741381 Rb\n0.250000 0.127985 0.258618 Rb\n0.750000 0.372015 0.758618 Rb\n0.250000 0.627985 0.241382 Rb\n0.750000 0.614413 0.000662 Li\n0.250000 0.385587 0.999338 Li\n0.750000 0.114413 0.499338 Li\n0.250000 0.885587 0.500662 Li\n0.958957 0.405800 0.429648 H\n0.458957 0.594200 0.570352 H\n0.541043 0.905800 0.070352 H\n0.041043 0.094200 0.929648 H\n0.041043 0.594200 0.570352 H\n0.541043 0.405800 0.429648 H\n0.458957 0.094200 0.929648 H\n0.958957 0.905800 0.070352 H\n0.250000 0.741192 0.936911 H\n0.750000 0.258808 0.063089 H\n0.250000 0.241192 0.563088 H\n0.750000 0.758808 0.436911 H\n0.250000 0.624189 0.818599 H\n0.750000 0.375811 0.181401 H\n0.250000 0.124189 0.681401 H\n0.750000 0.875811 0.318599 H\n0.750000 0.885621 0.409009 N\n0.250000 0.114379 0.590991 N\n0.750000 0.385621 0.090991 N\n0.250000 0.614379 0.909009 N\n0.750000 0.840991 0.107403 N\n0.250000 0.159009 0.892597 N\n0.750000 0.340991 0.392597 N\n0.250000 0.659009 0.607403 N\n",
"nsites": 32,
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],
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"formula_full": "Rb4 Li4 H16 N8",
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},
{
"id": "jvasp-10248",
"created_at": "2022-09-04T14:37:27.750859Z",
"updated_at": "2022-09-04T14:37:27.750880Z",
"structure_string": "Rb4 Li4 Ge2 O8\n1.0\n5.634077 -0.007477 0.020180\n0.485421 5.725029 -0.002865\n2.421459 0.807526 8.448091\nRb Li Ge O\n4 4 2 8\ndirect\n0.470895 0.848848 0.729184 Rb\n0.529105 0.151152 0.270815 Rb\n0.784684 0.722627 0.022560 Rb\n0.215316 0.277374 0.977440 Rb\n0.072694 0.817505 0.560805 Li\n0.927307 0.182495 0.439194 Li\n0.305420 0.410771 0.579565 Li\n0.694580 0.589229 0.420434 Li\n0.855491 0.315065 0.725042 Ge\n0.144509 0.684936 0.274957 Ge\n0.015256 0.574295 0.722546 O\n0.984745 0.425705 0.277453 O\n0.897526 0.867056 0.393934 O\n0.102474 0.132945 0.606065 O\n0.270884 0.797961 0.077144 O\n0.729117 0.202039 0.922855 O\n0.369717 0.640912 0.388745 O\n0.630284 0.359088 0.611254 O\n",
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],
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"formula_full": "Rb4 Li4 Ge2 O8",
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{
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"created_at": "2022-09-04T14:38:27.243233Z",
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"structure_string": "Rb2 Li1 Gd1 Cl6\n1.0\n6.329088 -0.000000 3.654100\n2.109696 5.967121 3.654100\n-0.000000 -0.000000 7.308201\nRb Li Gd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Gd\n0.744104 0.255896 0.255896 Cl\n0.255896 0.255896 0.744104 Cl\n0.255897 0.744104 0.744103 Cl\n0.255897 0.744104 0.255896 Cl\n0.744104 0.255896 0.744103 Cl\n0.744105 0.744104 0.255896 Cl\n",
"nsites": 10,
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],
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"formula_full": "Rb2 Li1 Gd1 Cl6",
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},
{
"id": "jvasp-111236",
"created_at": "2022-09-04T14:38:48.499205Z",
"updated_at": "2022-09-04T14:38:48.499228Z",
"structure_string": "Rb2 Li1 Ga1 F6\n1.0\n5.015136 -0.000000 2.895490\n1.671712 4.728315 2.895490\n-0.000000 -0.000000 5.790980\nRb Li Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.236885 0.236885 0.763115 F\n0.236884 0.763116 0.763115 F\n0.763116 0.763116 0.236884 F\n0.236884 0.763116 0.236884 F\n0.763116 0.236885 0.763115 F\n0.763116 0.236885 0.236884 F\n",
"nsites": 10,
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],
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"volume": 137.32233555203393,
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"formula_full": "Rb2 Li1 Ga1 F6",
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}
]
}