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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=166",
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"results": [
{
"id": "jvasp-38203",
"created_at": "2022-09-04T14:38:11.710872Z",
"updated_at": "2022-09-04T14:38:11.710901Z",
"structure_string": "Rb3 Ti1\n1.0\n-3.414873 3.414873 4.834435\n3.414873 -3.414873 4.834435\n3.414873 3.414873 -4.834435\nRb Ti\n3 1\ndirect\n0.749999 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n",
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{
"id": "jvasp-38194",
"created_at": "2022-09-04T14:37:50.343299Z",
"updated_at": "2022-09-04T14:37:50.343317Z",
"structure_string": "Rb3 Th1\n1.0\n-0.000000 4.946160 4.946160\n4.946160 0.000000 4.946160\n4.946160 4.946160 0.000000\nRb Th\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Th\n",
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{
"id": "jvasp-98046",
"created_at": "2022-09-04T14:35:57.192737Z",
"updated_at": "2022-09-04T14:35:57.192760Z",
"structure_string": "Rb8 Zr6 Te32\n1.0\n11.074563 0.013943 -1.335587\n-4.800679 9.979960 -1.335587\n-0.006386 -0.010172 15.112276\nRb Zr Te\n8 6 32\ndirect\n0.747764 0.448985 0.429039 Rb\n0.551015 0.252236 0.070961 Rb\n0.252236 0.551015 0.570961 Rb\n0.448985 0.747764 0.929039 Rb\n0.245446 0.969844 0.368135 Rb\n0.030156 0.754554 0.131865 Rb\n0.754554 0.030156 0.631865 Rb\n0.969844 0.245446 0.868135 Rb\n0.106683 0.893317 0.750000 Zr\n0.893317 0.106683 0.250000 Zr\n0.432329 0.210162 0.728504 Zr\n0.567671 0.789837 0.271496 Zr\n0.210162 0.432329 0.228503 Zr\n0.789837 0.567671 0.771496 Zr\n0.402103 0.882077 0.159584 Te\n0.623618 0.081441 0.285506 Te\n0.081441 0.623618 0.785506 Te\n0.376382 0.918559 0.714494 Te\n0.117923 0.597897 0.340416 Te\n0.882076 0.402103 0.659584 Te\n0.168172 0.526719 0.055268 Te\n0.455849 0.575271 0.378602 Te\n0.424729 0.544151 0.121398 Te\n0.544150 0.424729 0.621398 Te\n0.575270 0.455849 0.878602 Te\n0.473281 0.831827 0.444732 Te\n0.918558 0.376382 0.214494 Te\n0.597897 0.117923 0.840416 Te\n0.637350 0.734078 0.741440 Te\n0.847619 0.911706 0.376125 Te\n0.362649 0.265922 0.258559 Te\n0.734078 0.637350 0.241440 Te\n0.911705 0.847619 0.876126 Te\n0.152381 0.088294 0.623874 Te\n0.088294 0.152381 0.123874 Te\n0.526718 0.168172 0.555268 Te\n0.198165 0.904818 0.946507 Te\n0.095181 0.801834 0.553493 Te\n0.801834 0.095182 0.053493 Te\n0.904818 0.198166 0.446506 Te\n0.249277 0.156411 0.875177 Te\n0.843589 0.750722 0.624822 Te\n0.750722 0.843589 0.124822 Te\n0.156410 0.249277 0.375177 Te\n0.265922 0.362650 0.758559 Te\n0.831827 0.473281 0.944732 Te\n",
"nsites": 46,
"nelements": 3,
"elements": [
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],
"chemical_system": "Rb-Te-Zr",
"density": 5.281094978191493,
"density_atomic": 0.02752883016397253,
"volume": 1670.9754728408698,
"volume_molar": 21.87575979120712,
"formula_full": "Rb8 Zr6 Te32",
"formula_reduced": "Rb4Zr3Te16",
"formula_anonymous": "A3B4C16",
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"spacegroup": 15
},
{
"id": "jvasp-119634",
"created_at": "2022-09-04T14:38:36.436622Z",
"updated_at": "2022-09-04T14:38:36.436642Z",
"structure_string": "Rb2 Yb2 Zn2 Te6\n1.0\n8.579346 0.000097 0.000000\n-7.569983 4.037391 0.000000\n-0.000000 -0.000000 11.808325\nYb Rb Zn Te\n2 2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.262405 0.737595 0.250000 Rb\n0.737596 0.262405 0.750000 Rb\n0.547346 0.452655 0.250000 Zn\n0.452655 0.547345 0.750000 Zn\n0.635425 0.364577 0.061097 Te\n0.364577 0.635424 0.938902 Te\n0.364577 0.635424 0.561097 Te\n0.635425 0.364577 0.438902 Te\n0.942387 0.057615 0.250000 Te\n0.057614 0.942386 0.750000 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Rb",
"Zn",
"Te"
],
"chemical_system": "Rb-Te-Yb-Zn",
"density": 5.738151505640678,
"density_atomic": 0.02933788138143814,
"volume": 409.0274905669334,
"volume_molar": 20.52684269086371,
"formula_full": "Rb2 Yb2 Zn2 Te6",
"formula_reduced": "RbYbZnTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-3351",
"created_at": "2022-09-04T14:36:07.275414Z",
"updated_at": "2022-09-04T14:36:07.275449Z",
"structure_string": "Rb2 Y2 Te4\n1.0\n2.244042 -3.886794 0.000000\n2.244042 3.886794 0.000000\n0.000000 0.000000 16.972532\nRb Y Te\n2 2 4\ndirect\n0.333333 0.666666 0.250000 Rb\n0.666666 0.333333 0.750000 Rb\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.333333 0.666666 0.600969 Te\n0.666666 0.333333 0.100969 Te\n0.666666 0.333333 0.399031 Te\n0.333333 0.666666 0.899031 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Y",
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],
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"density": 4.818563544350708,
"density_atomic": 0.02702034255137622,
"volume": 296.07322648811265,
"volume_molar": 22.287433064734685,
"formula_full": "Rb2 Y2 Te4",
"formula_reduced": "RbYTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 194
},
{
"id": "jvasp-117348",
"created_at": "2022-09-04T14:38:26.267901Z",
"updated_at": "2022-09-04T14:38:26.267923Z",
"structure_string": "Rb4 U2 Te6\n1.0\n8.064649 0.009155 1.250542\n-4.320355 6.809786 1.250542\n0.019820 0.036096 8.826865\nRb U Te\n4 2 6\ndirect\n0.500000 0.500000 -0.000000 Rb\n0.651308 0.348692 0.500000 Rb\n0.348693 0.651308 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.831558 0.168442 -0.000000 U\n0.168443 0.831558 -0.000000 U\n0.804568 0.804567 0.202825 Te\n0.195433 0.195433 0.797175 Te\n0.428690 0.054188 0.209849 Te\n0.571311 0.945813 0.790151 Te\n0.945813 0.571310 0.790151 Te\n0.054188 0.428691 0.209849 Te\n",
"nsites": 12,
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"elements": [
"Rb",
"U",
"Te"
],
"chemical_system": "Rb-Te-U",
"density": 5.428613491031617,
"density_atomic": 0.02477393783608084,
"volume": 484.3799996350666,
"volume_molar": 24.308371159426,
"formula_full": "Rb4 U2 Te6",
"formula_reduced": "Rb2UTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0937182166666666,
"spacegroup": 12
},
{
"id": "jvasp-14224",
"created_at": "2022-09-04T14:36:05.423477Z",
"updated_at": "2022-09-04T14:36:05.423493Z",
"structure_string": "Rb2 Te12\n1.0\n6.689890 -0.108697 -1.723258\n-3.055845 6.179616 -0.458497\n-0.025734 -0.016009 12.476417\nRb Te\n2 12\ndirect\n0.873793 0.623794 0.250000 Rb\n0.126206 0.376206 0.750000 Rb\n0.156330 0.228401 0.349964 Te\n0.378436 0.806367 0.150036 Te\n0.537004 0.760067 0.406989 Te\n0.853078 0.130015 0.093011 Te\n0.462996 0.239933 0.593011 Te\n0.146922 0.869985 0.906989 Te\n0.816122 0.223586 0.442620 Te\n0.280966 0.373503 0.057379 Te\n0.183878 0.776414 0.557379 Te\n0.719034 0.626497 0.942621 Te\n0.621563 0.193634 0.849964 Te\n0.843669 0.771599 0.650036 Te\n",
"nsites": 14,
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"elements": [
"Rb",
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],
"chemical_system": "Rb-Te",
"density": 5.528705997164173,
"density_atomic": 0.027384718377265964,
"volume": 511.23403232155977,
"volume_molar": 21.990880742448727,
"formula_full": "Rb2 Te12",
"formula_reduced": "RbTe6",
"formula_anonymous": "AB6",
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"spacegroup": 15
},
{
"id": "jvasp-36339",
"created_at": "2022-09-04T14:37:20.169440Z",
"updated_at": "2022-09-04T14:37:20.169458Z",
"structure_string": "Rb1 Te1\n1.0\n3.677684 3.677684 -0.000000\n3.677684 -0.000000 -3.677684\n0.000000 3.677684 -3.677684\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
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"elements": [
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"density": 3.5564253108642445,
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"volume": 99.48399721869511,
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},
{
"id": "jvasp-36340",
"created_at": "2022-09-04T14:37:27.434737Z",
"updated_at": "2022-09-04T14:37:27.434765Z",
"structure_string": "Rb1 Te1\n1.0\n4.137609 4.137609 0.000000\n4.137609 -0.000000 -4.137609\n0.000000 4.137609 -4.137609\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.750000 0.750000 Te\n",
"nsites": 2,
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"elements": [
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"volume": 141.67014527838595,
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},
{
"id": "jvasp-119",
"created_at": "2022-09-04T14:38:03.546136Z",
"updated_at": "2022-09-04T14:38:03.546162Z",
"structure_string": "Rb2 Te1\n1.0\n5.195543 -0.000000 2.999648\n1.731848 4.898405 2.999648\n0.000000 0.000000 5.999296\nRb Te\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Te\n",
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"volume": 152.68132614232854,
"volume_molar": 30.64894791508568,
"formula_full": "Rb2 Te1",
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"energy_above_hull": 0.0038666666666666,
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},
{
"id": "jvasp-8170",
"created_at": "2022-09-04T14:37:05.969367Z",
"updated_at": "2022-09-04T14:37:05.969387Z",
"structure_string": "Rb4 Te4\n1.0\n4.869587 0.000000 0.000000\n0.000000 5.785928 0.000000\n0.000000 -0.000000 11.085864\nRb Te\n4 4\ndirect\n0.500000 0.670650 0.865951 Rb\n0.500000 0.329350 0.134048 Rb\n0.500000 0.170650 0.634048 Rb\n0.500000 0.829351 0.365951 Rb\n0.000000 0.145945 0.894536 Te\n0.000000 0.854055 0.105463 Te\n0.000000 0.645945 0.605463 Te\n0.000000 0.354055 0.394537 Te\n",
"nsites": 8,
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"elements": [
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"volume": 312.3451025386164,
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"formula_full": "Rb4 Te4",
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"spacegroup": 55
},
{
"id": "jvasp-4304",
"created_at": "2022-09-04T14:38:06.983406Z",
"updated_at": "2022-09-04T14:38:06.983418Z",
"structure_string": "Rb8 Te4\n1.0\n6.068502 0.000000 0.000000\n0.000000 7.827032 0.000000\n0.000000 0.000000 10.513159\nRb Te\n8 4\ndirect\n0.250000 0.999694 0.248714 Rb\n0.750000 0.000305 0.751286 Rb\n0.250000 0.499694 0.251286 Rb\n0.750000 0.500305 0.748714 Rb\n0.250000 0.751635 0.583305 Rb\n0.750000 0.248365 0.416695 Rb\n0.250000 0.251635 0.916695 Rb\n0.750000 0.748365 0.083305 Rb\n0.250000 0.750400 0.916624 Te\n0.750000 0.249600 0.083376 Te\n0.250000 0.250400 0.583376 Te\n0.750000 0.749600 0.416624 Te\n",
"nsites": 12,
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"elements": [
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"spacegroup": 194
}
]
}