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{
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{
"id": "jvasp-26206",
"created_at": "2022-09-04T14:37:59.892419Z",
"updated_at": "2022-09-04T14:37:59.892431Z",
"structure_string": "Al1 Ru1\n1.0\n3.007964 0.000000 0.000000\n0.000000 3.007964 -0.000000\n-0.000000 -0.000000 3.007964\nAl Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 0.499999 Ru\n",
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{
"id": "jvasp-7681",
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"structure_string": "Al4 Ru2\n1.0\n4.549190 -0.006421 -1.121635\n-2.625504 3.715090 -1.121635\n0.002053 0.003958 5.020418\nAl Ru\n4 2\ndirect\n0.796264 0.203736 0.750001 Al\n0.453736 0.546265 0.750001 Al\n0.203736 0.796265 0.250001 Al\n0.546265 0.453736 0.250001 Al\n0.125001 0.875001 0.750001 Ru\n0.875000 0.125000 0.250001 Ru\n",
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{
"id": "jvasp-22743",
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"structure_string": "Al12 Ru2\n1.0\n4.997211 0.010361 0.000000\n-0.650286 4.954731 -0.000000\n0.000000 -0.000000 9.084753\nAl Ru\n12 2\ndirect\n0.319141 0.680858 0.000000 Al\n0.680858 0.319142 0.500000 Al\n0.680858 0.319142 0.000000 Al\n0.319141 0.680858 0.500000 Al\n0.139769 0.139769 0.100021 Al\n0.860230 0.860230 0.600020 Al\n0.139769 0.139769 0.399979 Al\n0.860230 0.860230 0.899979 Al\n0.616788 0.976534 0.250000 Al\n0.383211 0.023466 0.750000 Al\n0.976533 0.616789 0.250000 Al\n0.023466 0.383211 0.750000 Al\n0.462175 0.462175 0.250000 Ru\n0.537824 0.537824 0.750000 Ru\n",
"nsites": 14,
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"density": 3.881400516650439,
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"volume": 224.99820625145884,
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"formula_full": "Al12 Ru2",
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{
"id": "jvasp-92294",
"created_at": "2022-09-04T14:35:47.317996Z",
"updated_at": "2022-09-04T14:35:47.318019Z",
"structure_string": "Al3 Ru2\n1.0\n-2.109304 -3.653428 0.000011\n-2.109309 3.653431 0.000000\n0.000009 0.000006 -5.092772\nAl Ru\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666667 0.646016 Al\n0.666667 0.333333 0.353984 Al\n0.333337 0.666668 0.154955 Ru\n0.666661 0.333331 0.845045 Ru\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.0637008684112638,
"volume": 78.49186556954197,
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"spacegroup": 164
},
{
"id": "jvasp-7066",
"created_at": "2022-09-04T14:36:10.416326Z",
"updated_at": "2022-09-04T14:36:10.416348Z",
"structure_string": "Al12 S18\n1.0\n3.269204 -5.662427 0.000000\n3.269204 5.662427 0.000000\n0.000000 0.000000 17.236578\nAl S\n12 18\ndirect\n0.987726 0.648029 0.549051 Al\n0.012273 0.351970 0.049051 Al\n0.660303 0.012273 0.215718 Al\n0.698336 0.003290 0.850775 Al\n0.301662 0.996709 0.350775 Al\n0.339696 0.987726 0.715718 Al\n0.003290 0.304954 0.684108 Al\n0.648029 0.660303 0.382384 Al\n0.351970 0.339696 0.882384 Al\n0.695045 0.698336 0.017440 Al\n0.996708 0.695045 0.184107 Al\n0.304954 0.301663 0.517441 Al\n0.351034 0.306603 0.662598 S\n0.712295 0.663847 0.873381 S\n0.693396 0.044430 0.995932 S\n0.341590 0.336716 0.014880 S\n0.336153 0.048448 0.206715 S\n0.955568 0.648965 0.329265 S\n0.004874 0.341591 0.181547 S\n0.648965 0.693396 0.162598 S\n0.287704 0.336152 0.373381 S\n-0.004875 0.658409 0.681547 S\n0.336716 -0.004875 0.848213 S\n0.951551 0.287704 0.540048 S\n0.306602 0.955568 0.495932 S\n0.663846 0.951551 0.706715 S\n0.048448 0.712295 0.040048 S\n0.663284 0.004874 0.348213 S\n0.044431 0.351034 0.829265 S\n0.658409 0.663283 0.514880 S\n",
"nsites": 30,
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"elements": [
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"volume": 638.1542742659009,
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"formula_full": "Al12 S18",
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"spacegroup": 169
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{
"id": "jvasp-101746",
"created_at": "2022-09-04T14:36:47.847255Z",
"updated_at": "2022-09-04T14:36:47.847277Z",
"structure_string": "Al4 S6\n1.0\n5.750717 -0.019490 2.942021\n2.164748 5.327757 2.942021\n-0.018173 -0.012187 7.045057\nAl S\n4 6\ndirect\n0.181227 0.987536 0.496897 Al\n0.810446 0.673300 0.509679 Al\n0.987537 0.181226 0.996897 Al\n0.673300 0.810445 0.009678 Al\n0.297571 0.127774 0.113177 S\n0.964586 0.793586 0.124331 S\n0.627380 0.453573 0.130871 S\n0.127775 0.297571 0.613177 S\n0.793586 0.964586 0.624331 S\n0.453573 0.627380 0.630872 S\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.04617633670123176,
"volume": 216.56113746531238,
"volume_molar": 13.04161652961821,
"formula_full": "Al4 S6",
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"spacegroup": 9
},
{
"id": "jvasp-30092",
"created_at": "2022-09-04T14:38:04.096451Z",
"updated_at": "2022-09-04T14:38:04.096486Z",
"structure_string": "Al12 S18\n1.0\n6.889837 -0.210934 -1.176951\n-3.553316 5.915123 0.562308\n-2.850383 0.041485 17.506953\nAl S\n12 18\ndirect\n0.715135 0.156597 0.844234 Al\n0.648569 0.539921 0.407667 Al\n0.211502 0.905461 0.649720 Al\n0.269518 0.171028 0.923950 Al\n0.452429 0.763113 0.263667 Al\n0.944052 0.731339 0.262674 Al\n0.230828 0.810696 0.124651 Al\n0.542108 0.996207 0.469154 Al\n0.266537 0.718328 0.953348 Al\n0.554922 0.404448 0.600659 Al\n0.366458 0.271646 0.211272 Al\n0.673994 0.715412 0.836357 Al\n0.660629 0.873433 0.938847 S\n0.120055 0.395577 0.872209 S\n0.835547 0.873231 0.337493 S\n0.841032 0.356885 0.460507 S\n0.013411 0.947191 0.148570 S\n0.604034 0.369207 0.881740 S\n0.588582 0.682048 0.502140 S\n0.935481 0.551813 0.673841 S\n0.066023 0.856491 0.845212 S\n0.056301 0.480067 0.046701 S\n0.291553 0.383427 0.306523 S\n0.582582 0.930525 0.736462 S\n0.438371 0.052483 0.036741 S\n0.334852 0.039896 0.533417 S\n0.333755 0.903737 0.335982 S\n0.738423 0.359338 0.230241 S\n0.290485 0.256658 0.671657 S\n0.392845 0.503814 0.098486 S\n",
"nsites": 30,
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"formula_full": "Al12 S18",
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"spacegroup": 1
},
{
"id": "jvasp-117228",
"created_at": "2022-09-04T14:38:43.856174Z",
"updated_at": "2022-09-04T14:38:43.856203Z",
"structure_string": "Al5 S8\n1.0\n6.070602 -0.000000 3.504863\n2.023534 5.723418 3.504863\n-0.000000 -0.000000 7.009727\nAl S\n5 8\ndirect\n0.633242 0.633243 0.100272 Al\n0.633242 0.100273 0.633242 Al\n0.100272 0.633243 0.633243 Al\n0.633242 0.633243 0.633242 Al\n0.250000 0.250000 0.250000 Al\n0.871786 0.871787 0.384638 S\n0.871786 0.384639 0.871787 S\n0.384638 0.871787 0.871787 S\n0.871786 0.871787 0.871787 S\n0.383488 0.383488 0.849536 S\n0.383487 0.849536 0.383488 S\n0.849536 0.383488 0.383488 S\n0.383488 0.383488 0.383488 S\n",
"nsites": 13,
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"elements": [
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"volume": 243.5501099572055,
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},
{
"id": "jvasp-1408",
"created_at": "2022-09-04T14:36:04.806598Z",
"updated_at": "2022-09-04T14:36:04.806623Z",
"structure_string": "Al1 Sb1\n1.0\n3.812448 0.000000 2.201118\n1.270816 3.594410 2.201118\n0.000000 0.000000 4.402235\nAl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Sb\n",
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"volume": 60.326032674209046,
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},
{
"id": "jvasp-35259",
"created_at": "2022-09-04T14:38:07.405105Z",
"updated_at": "2022-09-04T14:38:07.405139Z",
"structure_string": "Al2 Sb2\n1.0\n2.809034 3.312357 0.003599\n-2.809034 3.312357 0.003599\n0.000000 -0.006600 5.342379\nAl Sb\n2 2\ndirect\n0.371404 0.371404 0.750023 Al\n0.628597 0.628597 0.249977 Al\n0.793464 0.793464 0.749999 Sb\n0.206537 0.206537 0.250002 Sb\n",
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{
"id": "jvasp-100038",
"created_at": "2022-09-04T14:36:53.708493Z",
"updated_at": "2022-09-04T14:36:53.708514Z",
"structure_string": "Al1 Sb1\n1.0\n4.146690 -0.002176 -0.618433\n-3.080823 2.775530 -0.618433\n0.000836 0.002176 4.192552\nAl Sb\n1 1\ndirect\n0.750000 0.250000 0.500001 Al\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-11395",
"created_at": "2022-09-04T14:38:33.203280Z",
"updated_at": "2022-09-04T14:38:33.203305Z",
"structure_string": "Al8 Sb8\n1.0\n7.620413 0.000000 -0.000000\n-0.000000 7.620413 0.000000\n-0.000000 -0.000000 7.620413\nAl Sb\n8 8\ndirect\n0.344077 0.344077 0.344077 Al\n0.155922 0.655922 0.844077 Al\n0.844077 0.155922 0.655922 Al\n0.655922 0.844077 0.155922 Al\n0.655922 0.655922 0.655922 Al\n0.844077 0.344077 0.155922 Al\n0.155922 0.844077 0.344077 Al\n0.344077 0.155922 0.844077 Al\n0.142094 0.142094 0.142094 Sb\n0.357905 0.857905 0.642094 Sb\n0.642094 0.357905 0.857905 Sb\n0.857905 0.642094 0.357905 Sb\n0.857905 0.857905 0.857905 Sb\n0.642094 0.142094 0.357905 Sb\n0.357905 0.642094 0.142094 Sb\n0.142094 0.357905 0.642094 Sb\n",
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"formula_full": "Al8 Sb8",
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}
]
}