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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4583",
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"results": [
{
"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",
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{
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"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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"chemical_system": "Al-S",
"density": 2.344354931819302,
"density_atomic": 0.04701057598417001,
"volume": 638.1542742659009,
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"formula_full": "Al12 S18",
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"spacegroup": 169
},
{
"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": 2.3027525277574528,
"density_atomic": 0.04617633670123176,
"volume": 216.56113746531238,
"volume_molar": 13.04161652961821,
"formula_full": "Al4 S6",
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"spacegroup": 9
},
{
"id": "jvasp-40420",
"created_at": "2022-09-04T14:37:50.517202Z",
"updated_at": "2022-09-04T14:37:50.517224Z",
"structure_string": "Al2 Ru1 Rh1\n1.0\n0.000000 3.001168 3.001168\n3.001168 -0.000000 3.001168\n3.001168 3.001168 -0.000000\nAl Ru Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
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"formula_full": "Al2 Ru1 Rh1",
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},
{
"id": "jvasp-40239",
"created_at": "2022-09-04T14:37:50.213258Z",
"updated_at": "2022-09-04T14:37:50.213277Z",
"structure_string": "Al2 Ru1 Pt1\n1.0\n-0.000000 3.030741 3.030741\n3.030741 -0.000000 3.030741\n3.030741 3.030741 0.000000\nAl Ru Pt\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Ru\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
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"volume": 55.67708226450632,
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"formula_full": "Al2 Ru1 Pt1",
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},
{
"id": "jvasp-36419",
"created_at": "2022-09-04T14:37:28.467625Z",
"updated_at": "2022-09-04T14:37:28.467647Z",
"structure_string": "Al2 Ru1\n1.0\n3.159781 0.000000 0.000000\n0.000000 3.159781 0.000000\n-1.579891 -1.579891 4.236208\nAl Ru\n2 1\ndirect\n0.659127 0.659127 0.318253 Al\n0.340873 0.340873 0.681747 Al\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
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"elements": [
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"density": 6.08670455781527,
"density_atomic": 0.07093000852407313,
"volume": 42.29521555720414,
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"formula_full": "Al2 Ru1",
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"spacegroup": 139
},
{
"id": "jvasp-7681",
"created_at": "2022-09-04T14:36:31.575605Z",
"updated_at": "2022-09-04T14:36:31.575623Z",
"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",
"nsites": 6,
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"spacegroup": 70
},
{
"id": "jvasp-59547",
"created_at": "2022-09-04T14:37:53.464605Z",
"updated_at": "2022-09-04T14:37:53.464621Z",
"structure_string": "Al8 Re12 B4\n1.0\n6.599181 -0.000000 3.810038\n2.199727 6.221767 3.810038\n-0.000000 -0.000000 7.620077\nAl Re B\n8 12 4\ndirect\n0.710982 0.710983 0.710983 Al\n0.710982 0.710983 0.367054 Al\n0.289018 0.632946 0.289018 Al\n0.367054 0.710983 0.710983 Al\n0.289018 0.289018 0.289018 Al\n0.632946 0.289018 0.289018 Al\n0.289018 0.289018 0.632946 Al\n0.710982 0.367054 0.710983 Al\n0.934007 0.934007 0.315993 Re\n0.315993 0.315993 0.934007 Re\n0.065993 0.684007 0.684007 Re\n0.315993 0.934007 0.934007 Re\n0.684007 0.065993 0.684007 Re\n0.684007 0.684007 0.065993 Re\n0.065993 0.065993 0.684007 Re\n0.934007 0.315993 0.934007 Re\n0.315993 0.934007 0.315993 Re\n0.934007 0.315993 0.315993 Re\n0.684007 0.065993 0.065993 Re\n0.065993 0.684007 0.065993 Re\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-B-Re",
"density": 13.234554114394328,
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"formula_full": "Al8 Re12 B4",
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{
"id": "jvasp-19733",
"created_at": "2022-09-04T14:38:28.565162Z",
"updated_at": "2022-09-04T14:38:28.565196Z",
"structure_string": "Al2 Pt1\n1.0\n3.643281 0.000000 2.103449\n1.214427 3.434918 2.103449\n-0.000000 0.000000 4.206898\nAl Pt\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
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"density": 7.855241142314642,
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"volume": 52.64668437553374,
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"formula_full": "Al2 Pt1",
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"spacegroup": 225
},
{
"id": "jvasp-41990",
"created_at": "2022-09-04T14:37:36.346666Z",
"updated_at": "2022-09-04T14:37:36.346687Z",
"structure_string": "Al2 Pd1 Ru1\n1.0\n0.000000 3.029735 3.029735\n3.029735 0.000000 3.029735\n3.029735 3.029735 0.000000\nAl Pd Ru\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Pd\n0.749998 0.749998 0.749998 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.07191443350147245,
"volume": 55.621657645653286,
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"formula_full": "Al2 Pd1 Ru1",
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},
{
"id": "jvasp-82046",
"created_at": "2022-09-04T14:37:18.597699Z",
"updated_at": "2022-09-04T14:37:18.597727Z",
"structure_string": "Al2 Pd1 Pt1\n1.0\n-10.037030 1.973237 -2.572598\n-7.218361 1.170158 0.674320\n-6.372260 3.563295 -0.791172\nAl Pd Pt\n2 1 1\ndirect\n0.757173 0.994208 0.994208 Al\n0.242827 0.005792 0.005792 Al\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000001 0.000001 Pt\n",
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"formula_full": "Al2 Pd1 Pt1",
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"spacegroup": 12
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{
"id": "jvasp-32248",
"created_at": "2022-09-04T14:38:04.570215Z",
"updated_at": "2022-09-04T14:38:04.570229Z",
"structure_string": "Al4 Pd2 Cl16\n1.0\n6.502390 0.000000 -0.670967\n0.000000 7.290048 0.000000\n0.067837 0.000000 12.500959\nAl Pd Cl\n4 2 16\ndirect\n0.342730 0.709812 0.101216 Al\n0.657270 0.209812 0.398784 Al\n0.657271 0.290188 0.898784 Al\n0.342730 0.790188 0.601216 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.343693 0.202253 0.428087 Cl\n0.656308 0.702253 0.071913 Cl\n0.250819 0.993188 0.706451 Cl\n0.749182 0.493188 0.793549 Cl\n0.749182 0.006812 0.293549 Cl\n0.250819 0.506813 0.206451 Cl\n0.239413 0.513363 0.652516 Cl\n0.239412 0.986637 0.152516 Cl\n0.760588 0.486637 0.347484 Cl\n0.343693 0.297747 0.928087 Cl\n0.146001 0.772871 0.445225 Cl\n0.853999 0.272871 0.054774 Cl\n0.853999 0.227129 0.554774 Cl\n0.146001 0.727129 0.945225 Cl\n0.760588 0.013363 0.847484 Cl\n0.656308 0.797747 0.571913 Cl\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Al-Cl-Pd",
"density": 2.4870191916948574,
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"volume": 592.9114660631404,
"volume_molar": 16.229983212955432,
"formula_full": "Al4 Pd2 Cl16",
"formula_reduced": "Al2PdCl8",
"formula_anonymous": "AB2C8",
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"spacegroup": 14
}
]
}