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"results": [
{
"id": "jvasp-18489",
"created_at": "2022-09-04T14:36:59.929660Z",
"updated_at": "2022-09-04T14:36:59.929668Z",
"structure_string": "Li2 Ru2 O4\n1.0\n2.768126 0.000000 0.000000\n0.000000 4.996896 -0.000000\n0.000000 0.000000 5.109867\nLi Ru O\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.500001 0.500000 0.000000 Li\n0.500001 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.668834 0.753591 O\n0.000000 0.331167 0.246410 O\n0.500001 0.168834 0.746410 O\n0.500001 0.831167 0.253591 O\n",
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{
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"structure_string": "Li2 Ru2 Rh2 O8\n1.0\n5.285719 0.017280 -2.865834\n-1.737527 4.838292 -3.118343\n0.021437 -0.017280 6.012601\nLi Ru Rh O\n2 2 2 8\ndirect\n0.877686 0.627686 0.250001 Li\n0.122314 0.372314 0.750000 Li\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.723305 0.243258 0.480047 O\n0.263212 0.243258 0.019954 O\n0.262214 0.242480 0.480267 O\n0.262214 0.781947 0.019733 O\n0.276695 0.756741 0.519954 O\n0.736788 0.756741 0.980047 O\n0.737786 0.757519 0.519733 O\n0.737786 0.218053 0.980268 O\n",
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"formula_full": "Li2 Ru2 Rh2 O8",
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"spacegroup": 74
},
{
"id": "jvasp-11198",
"created_at": "2022-09-04T14:37:10.270947Z",
"updated_at": "2022-09-04T14:37:10.270975Z",
"structure_string": "Li4 Rh4 O8\n1.0\n5.224776 0.000000 3.016526\n1.741592 4.925966 3.016526\n0.000000 0.000000 6.033051\nLi Rh O\n4 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 -0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 0.000000 Rh\n0.500000 -0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.229056 0.756982 0.756982 O\n0.243019 0.243019 0.243019 O\n0.756982 0.229056 0.756982 O\n0.756982 0.756982 0.229056 O\n0.756982 0.756982 0.756982 O\n0.243019 0.243019 0.770944 O\n0.770945 0.243019 0.243019 O\n0.243018 0.770945 0.243019 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-O-Rh",
"density": 6.067753879300842,
"density_atomic": 0.10304428266798676,
"volume": 155.27304946702097,
"volume_molar": 5.844226000780271,
"formula_full": "Li4 Rh4 O8",
"formula_reduced": "LiRhO2",
"formula_anonymous": "ABC2",
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"spacegroup": 227
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{
"id": "jvasp-1789",
"created_at": "2022-09-04T14:36:02.404102Z",
"updated_at": "2022-09-04T14:36:02.404132Z",
"structure_string": "Li1 Rh1 O2\n1.0\n2.882419 -0.029699 4.090836\n1.274763 2.585383 4.090836\n-0.048310 -0.029699 5.004092\nLi Rh O\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Rh\n0.743494 0.743493 0.743496 O\n0.256506 0.256505 0.256507 O\n",
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"elements": [
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"volume": 38.19286479952416,
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"formula_full": "Li1 Rh1 O2",
"formula_reduced": "LiRhO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-49957",
"created_at": "2022-09-04T14:35:40.795427Z",
"updated_at": "2022-09-04T14:35:40.795447Z",
"structure_string": "Li4 Rh2 O6\n1.0\n5.112358 0.000044 0.013935\n2.555446 4.412964 0.006855\n1.699451 0.000181 4.804962\nLi Rh O\n4 2 6\ndirect\n0.500295 0.500185 0.500048 Li\n0.160231 0.180340 0.500062 Li\n0.840382 0.820009 0.500065 Li\n0.000297 0.500148 0.000068 Li\n0.333759 0.833271 0.000051 Rh\n0.666841 0.167034 0.000056 Rh\n0.426089 0.153053 0.764354 O\n0.574503 0.847251 0.235758 O\n0.266214 0.500140 0.239485 O\n0.078956 0.847325 0.764392 O\n0.921649 0.152973 0.235715 O\n0.734384 0.500171 0.760625 O\n",
"nsites": 12,
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"volume": 108.29802783462047,
"volume_molar": 5.434883063754022,
"formula_full": "Li4 Rh2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-58389",
"created_at": "2022-09-04T14:37:30.889874Z",
"updated_at": "2022-09-04T14:37:30.889893Z",
"structure_string": "Li2 Re2 O6\n1.0\n4.513059 0.018654 2.979435\n1.612787 4.215088 2.979435\n0.026991 0.018654 5.407772\nLi Re O\n2 2 6\ndirect\n0.781275 0.781273 0.781275 Li\n0.281275 0.281274 0.281275 Li\n0.497554 0.497552 0.497554 Re\n0.997554 0.997552 0.997554 Re\n0.739624 0.124518 0.368030 O\n0.368030 0.739624 0.124520 O\n0.868030 0.624519 0.239625 O\n0.239624 0.868029 0.624520 O\n0.624520 0.239623 0.868030 O\n0.124520 0.368029 0.739624 O\n",
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"density_atomic": 0.09783742751808447,
"volume": 102.21037340900628,
"volume_molar": 6.155252558011968,
"formula_full": "Li2 Re2 O6",
"formula_reduced": "LiReO3",
"formula_anonymous": "ABC3",
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"spacegroup": 161
},
{
"id": "jvasp-9695",
"created_at": "2022-09-04T14:37:07.587354Z",
"updated_at": "2022-09-04T14:37:07.587371Z",
"structure_string": "Li5 Re1 O6\n1.0\n4.950251 0.005627 -0.859568\n-1.314149 4.173728 -2.510683\n0.002548 -0.000476 5.044851\nLi Re O\n5 1 6\ndirect\n0.000000 0.333695 0.666305 Li\n0.000000 0.666305 0.333696 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.178185 0.821814 Li\n0.500000 0.821815 0.178186 Li\n0.000000 0.000000 0.000000 Re\n0.235703 0.386941 0.077751 O\n0.235703 0.077751 0.386941 O\n0.764297 0.922250 0.613059 O\n0.764297 0.613059 0.922249 O\n0.771065 0.230877 0.230877 O\n0.228935 0.769123 0.769123 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Li-O-Re",
"density": 5.04680690049055,
"density_atomic": 0.11508403647412224,
"volume": 104.27162939056552,
"volume_molar": 5.2328202455378205,
"formula_full": "Li5 Re1 O6",
"formula_reduced": "Li5ReO6",
"formula_anonymous": "AB5C6",
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"spacegroup": 12
},
{
"id": "jvasp-11782",
"created_at": "2022-09-04T14:37:09.984037Z",
"updated_at": "2022-09-04T14:37:09.984062Z",
"structure_string": "Rb4 Li2 V2 O8\n1.0\n5.882140 0.000000 -0.000000\n-2.941070 5.832106 -0.000000\n-0.000000 0.000000 7.906619\nRb Li V O\n4 2 2 8\ndirect\n0.604949 0.209900 0.550221 Rb\n0.395051 0.790101 0.050221 Rb\n0.938152 0.876303 0.408570 Rb\n0.061849 0.123697 0.908570 Rb\n0.799264 0.598527 0.829239 Li\n0.200737 0.401473 0.329239 Li\n0.309741 0.619482 0.611002 V\n0.690260 0.380519 0.111002 V\n0.404392 0.289614 0.218309 O\n0.595609 0.710387 0.718309 O\n0.633626 0.267252 0.908008 O\n0.366374 0.732748 0.408008 O\n0.885222 0.289614 0.218309 O\n0.114778 0.710387 0.718309 O\n0.162306 0.324613 0.577641 O\n0.837695 0.675388 0.077641 O\n",
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"density_atomic": 0.058988642952468695,
"volume": 271.2386520383649,
"volume_molar": 10.208983388298089,
"formula_full": "Rb4 Li2 V2 O8",
"formula_reduced": "Rb2LiVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.562034775,
"spacegroup": 36
},
{
"id": "jvasp-10247",
"created_at": "2022-09-04T14:37:28.960522Z",
"updated_at": "2022-09-04T14:37:28.960547Z",
"structure_string": "Rb4 Li4 Si2 O8\n1.0\n5.487821 -0.008386 0.024820\n0.416728 5.638290 0.008015\n2.259027 0.799898 8.348583\nRb Li Si O\n4 4 2 8\ndirect\n0.471503 0.847312 0.734767 Rb\n0.528498 0.152688 0.265232 Rb\n0.789136 0.724576 0.020865 Rb\n0.210865 0.275423 0.979134 Rb\n0.929790 0.184335 0.437997 Li\n0.070211 0.815664 0.562002 Li\n0.696042 0.592548 0.420126 Li\n0.303959 0.407451 0.579873 Li\n0.853517 0.313948 0.721273 Si\n0.146484 0.686051 0.278726 Si\n0.001018 0.561584 0.719236 O\n-0.001016 0.438417 0.280763 O\n0.917672 0.866057 0.381937 O\n0.082329 0.133943 0.618062 O\n0.268886 0.794309 0.094015 O\n0.731115 0.205691 0.905984 O\n0.362416 0.641657 0.385668 O\n0.637585 0.358342 0.614331 O\n",
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"elements": [
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],
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"volume": 258.00721991867505,
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"formula_full": "Rb4 Li4 Si2 O8",
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{
"id": "jvasp-96935",
"created_at": "2022-09-04T14:36:07.865868Z",
"updated_at": "2022-09-04T14:36:07.865895Z",
"structure_string": "Rb2 Li14 Si4 O16\n1.0\n5.889986 -0.000000 -2.394278\n-0.025738 7.768024 -0.063317\n-0.002244 0.003471 8.436375\nRb Li Si O\n2 14 4 16\ndirect\n0.755497 0.531989 0.510993 Rb\n0.244504 0.468011 0.489006 Rb\n0.000000 0.000000 0.000000 Li\n0.643820 0.865673 0.287638 Li\n0.072335 0.865632 0.631640 Li\n0.559307 0.865632 0.631640 Li\n0.356181 0.134327 0.712361 Li\n0.440695 0.134368 0.368359 Li\n0.500000 0.000000 -0.000000 Li\n0.933007 0.709164 0.866012 Li\n0.676486 0.367242 0.860710 Li\n0.927666 0.134368 0.368359 Li\n0.066994 0.290836 0.133987 Li\n0.815775 0.632757 0.139290 Li\n0.184226 0.367242 0.860710 Li\n0.323515 0.632757 0.139290 Li\n0.852651 0.139236 0.705299 Si\n0.147350 0.860763 0.294700 Si\n0.429605 0.705670 0.859207 Si\n0.570396 0.294329 0.140792 Si\n0.978307 0.804949 0.394382 O\n0.182457 0.604646 0.802033 O\n0.380423 0.395353 0.197966 O\n0.616223 0.102142 0.232446 O\n0.817544 0.395353 0.197966 O\n0.416077 0.804949 0.394382 O\n0.583924 0.195050 0.605617 O\n0.871960 0.929529 0.743918 O\n0.383778 0.897857 0.767554 O\n0.021694 0.195050 0.605617 O\n0.533576 0.748626 0.067150 O\n0.052145 0.763539 0.104289 O\n0.619579 0.604646 0.802033 O\n0.128041 0.070471 0.256081 O\n0.947857 0.236461 0.895710 O\n0.466425 0.251373 0.932849 O\n",
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"density_atomic": 0.09327538858637299,
"volume": 385.95390001151276,
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"formula_full": "Rb2 Li14 Si4 O16",
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},
{
"id": "jvasp-38306",
"created_at": "2022-09-04T14:35:45.997898Z",
"updated_at": "2022-09-04T14:35:45.997929Z",
"structure_string": "Rb1 Li1 O3\n1.0\n4.106220 0.000000 0.000000\n0.000000 4.106220 -0.000000\n0.000000 -0.000000 4.106220\nRb Li O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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],
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"volume": 69.23515070796188,
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"formula_full": "Rb1 Li1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-12927",
"created_at": "2022-09-04T14:37:07.515402Z",
"updated_at": "2022-09-04T14:37:07.515414Z",
"structure_string": "Rb4 Li4 O4\n1.0\n3.496520 0.000000 0.000000\n-0.000000 6.536227 0.000000\n0.000000 0.000000 8.884528\nRb Li O\n4 4 4\ndirect\n0.250000 0.499376 0.679520 Rb\n0.750000 0.500625 0.320481 Rb\n0.250000 0.999376 0.820481 Rb\n0.750000 0.000624 0.179520 Rb\n0.750000 0.397100 0.002106 Li\n0.250000 0.102900 0.502106 Li\n0.750000 0.897100 0.497894 Li\n0.250000 0.602901 0.997894 Li\n0.250000 0.313122 0.048548 O\n0.750000 0.186879 0.548548 O\n0.250000 0.813122 0.451452 O\n0.750000 0.686879 0.951452 O\n",
"nsites": 12,
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"elements": [
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],
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"volume_molar": 10.18983519689296,
"formula_full": "Rb4 Li4 O4",
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}
]
}