HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=165",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=163",
"results": [
{
"id": "jvasp-61741",
"created_at": "2022-09-04T14:35:55.771515Z",
"updated_at": "2022-09-04T14:35:55.771543Z",
"structure_string": "Hf6 Al16 Pd7\n1.0\n0.000000 6.201369 6.201369\n6.201369 0.000000 6.201369\n6.201369 6.201369 0.000000\nHf Al Pd\n6 16 7\ndirect\n0.679907 0.320093 0.679907 Hf\n0.320093 0.679907 0.320093 Hf\n0.679907 0.320093 0.320093 Hf\n0.320093 0.679907 0.679907 Hf\n0.320093 0.320093 0.679907 Hf\n0.679907 0.679907 0.320093 Hf\n0.120119 0.639642 0.120119 Al\n0.004790 0.665070 0.665070 Al\n0.665070 0.004790 0.665070 Al\n0.665070 0.665070 0.665070 Al\n0.995210 0.334930 0.334930 Al\n0.665070 0.665070 0.004790 Al\n0.334930 0.334930 0.334930 Al\n0.120119 0.120119 0.120119 Al\n0.334930 0.334930 0.995210 Al\n0.639642 0.120119 0.120119 Al\n0.879881 0.879881 0.879881 Al\n0.120119 0.120119 0.639642 Al\n0.879881 0.879881 0.360359 Al\n0.360359 0.879881 0.879881 Al\n0.334930 0.995210 0.334930 Al\n0.879881 0.360359 0.879881 Al\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Pd"
],
"chemical_system": "Al-Hf-Pd",
"density": 7.824785320066622,
"density_atomic": 0.06080023815716956,
"volume": 476.97181588392056,
"volume_molar": 9.904797978640596,
"formula_full": "Hf6 Al16 Pd7",
"formula_reduced": "Hf6Al16Pd7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.147960782758621,
"spacegroup": 225
},
{
"id": "jvasp-97483",
"created_at": "2022-09-04T14:36:09.877334Z",
"updated_at": "2022-09-04T14:36:09.877357Z",
"structure_string": "Hf6 Si7 Ni16\n1.0\n6.979302 0.000000 4.029502\n2.326434 6.580149 4.029502\n0.000000 0.000000 8.059003\nHf Si Ni\n6 7 16\ndirect\n0.205345 0.794655 0.205345 Hf\n0.205345 0.794655 0.794654 Hf\n0.794654 0.794655 0.205345 Hf\n0.794654 0.205346 0.205345 Hf\n0.205345 0.205346 0.794654 Hf\n0.794654 0.205346 0.794654 Hf\n0.500000 0.500000 -0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 -0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n0.167596 0.167597 0.497210 Ni\n0.382063 0.853810 0.382063 Ni\n0.497210 0.167597 0.167596 Ni\n0.617936 0.617937 0.617936 Ni\n0.617936 0.617937 0.146190 Ni\n0.146190 0.617937 0.617936 Ni\n0.167596 0.497210 0.167597 Ni\n0.382063 0.382064 0.853809 Ni\n0.853809 0.382064 0.382063 Ni\n0.832403 0.832404 0.502790 Ni\n0.832403 0.832404 0.832403 Ni\n0.617936 0.146191 0.617936 Ni\n0.502789 0.832404 0.832403 Ni\n0.832403 0.502790 0.832403 Ni\n0.382063 0.382064 0.382063 Ni\n0.167596 0.167597 0.167597 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Si",
"Ni"
],
"chemical_system": "Hf-Ni-Si",
"density": 9.900340928504633,
"density_atomic": 0.07835540534437725,
"volume": 370.1084803600091,
"volume_molar": 7.6856736730954145,
"formula_full": "Hf6 Si7 Ni16",
"formula_reduced": "Hf6Si7Ni16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.1394143655172413,
"spacegroup": 225
},
{
"id": "jvasp-21107",
"created_at": "2022-09-04T14:37:17.757133Z",
"updated_at": "2022-09-04T14:37:17.757152Z",
"structure_string": "Mn3 P6 Pd20\n1.0\n7.403708 -0.000000 4.274533\n2.467903 6.980283 4.274533\n0.000000 0.000000 8.549065\nMn P Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.266124 0.266123 0.733877 P\n0.266123 0.733876 0.733877 P\n0.266123 0.733876 0.266124 P\n0.733877 0.733876 0.266123 P\n0.733877 0.266123 0.266123 P\n0.733877 0.266123 0.733877 P\n-0.000000 0.657988 0.000000 Pd\n0.619512 0.619512 0.141464 Pd\n0.141464 0.619512 0.619512 Pd\n0.619512 0.141464 0.619512 Pd\n0.858536 0.380488 0.380488 Pd\n0.657989 0.000000 -0.000000 Pd\n0.000000 0.000000 0.657989 Pd\n0.657989 0.000000 0.342011 Pd\n0.657989 0.342011 -0.000000 Pd\n0.380488 0.380488 0.858536 Pd\n-0.000000 0.342011 0.000000 Pd\n-0.000000 0.657988 0.342012 Pd\n0.380488 0.380488 0.380488 Pd\n0.342011 0.657988 -0.000000 Pd\n0.000000 0.000000 0.342012 Pd\n0.342011 0.000000 -0.000000 Pd\n0.619512 0.619512 0.619512 Pd\n0.380488 0.858536 0.380488 Pd\n0.342011 0.000000 0.657989 Pd\n-0.000000 0.342011 0.657989 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mn",
"P",
"Pd"
],
"chemical_system": "Mn-P-Pd",
"density": 9.317397568804564,
"density_atomic": 0.06563826097959413,
"volume": 441.8154833354837,
"volume_molar": 9.17474148480592,
"formula_full": "Mn3 P6 Pd20",
"formula_reduced": "Mn3(P3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 2.818035128418549,
"spacegroup": 225
},
{
"id": "jvasp-98077",
"created_at": "2022-09-04T14:36:07.348560Z",
"updated_at": "2022-09-04T14:36:07.348589Z",
"structure_string": "Li2 U3 P4 O20\n1.0\n5.236978 -0.027967 -0.842375\n-2.458904 6.253312 -0.569426\n-0.010787 -0.083965 12.562914\nLi U P O\n2 3 4 20\ndirect\n0.386149 0.926642 0.185795 Li\n0.613851 0.073357 0.814205 Li\n0.882605 0.847918 0.631607 U\n0.117395 0.152080 0.368393 U\n0.000000 0.500000 -0.000000 U\n0.520602 0.421899 0.185819 P\n0.011751 0.667277 0.358059 P\n0.988249 0.332721 0.641941 P\n0.479398 0.578100 0.814181 P\n0.842996 0.175562 0.712892 O\n0.233712 0.955161 0.713818 O\n0.689311 0.560717 0.302579 O\n0.016256 0.811614 0.461188 O\n0.310689 0.439281 0.697421 O\n0.883252 0.511150 0.625666 O\n0.280364 0.623347 0.879137 O\n0.687600 0.782765 0.789190 O\n0.116748 0.488849 0.374333 O\n0.463572 0.243620 0.446391 O\n0.619067 0.436828 0.868235 O\n0.380933 0.563170 0.131764 O\n0.536428 0.756379 0.553608 O\n0.719636 0.376651 0.120862 O\n0.766288 0.044837 0.286181 O\n0.943232 0.220056 0.952665 O\n0.983743 0.188384 0.538812 O\n0.312400 0.217234 0.210809 O\n0.056768 0.779942 0.047334 O\n0.157004 0.824437 0.287108 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Li",
"U",
"P",
"O"
],
"chemical_system": "Li-O-P-U",
"density": 4.745291659499661,
"density_atomic": 0.07071949124853041,
"volume": 410.07082330506205,
"volume_molar": 8.515531791421282,
"formula_full": "Li2 U3 P4 O20",
"formula_reduced": "Li2U3(PO5)4",
"formula_anonymous": "A2B3C4D20",
"energy_above_hull": 3.4250979310344825,
"spacegroup": 2
},
{
"id": "jvasp-113094",
"created_at": "2022-09-04T14:38:45.080857Z",
"updated_at": "2022-09-04T14:38:45.080881Z",
"structure_string": "K8 La1 P4 Se16\n1.0\n9.251756 0.037344 -7.133460\n-1.809546 8.200549 -8.121525\n0.072409 -0.037344 11.682294\nK La P Se\n8 1 4 16\ndirect\n0.839508 0.201361 0.872639 K\n0.671277 0.798639 0.638147 K\n0.160492 0.033132 0.361853 K\n0.328722 0.966868 0.127361 K\n0.746354 0.746354 0.000000 K\n0.253646 0.253646 0.000000 K\n0.788077 0.288077 0.500000 K\n0.211923 0.711923 0.500000 K\n0.500000 0.500000 0.000000 La\n0.872395 0.834902 0.452206 P\n0.617304 0.165098 0.037492 P\n0.382696 0.420189 0.547794 P\n0.127605 0.579812 0.962508 P\n-0.002188 0.720522 0.875814 Se\n0.011572 0.520666 0.017629 Se\n0.496962 0.479334 0.490906 Se\n0.844708 0.121998 0.124186 Se\n0.002187 0.878002 0.722709 Se\n0.155292 0.279479 0.277291 Se\n0.645395 0.876988 0.378838 Se\n0.615740 0.427847 0.258860 Se\n0.354605 0.733443 0.231593 Se\n0.498151 0.266557 0.621162 Se\n0.384260 0.643118 0.812106 Se\n0.168987 0.356882 0.741141 Se\n0.503038 -0.006055 0.982371 Se\n0.831013 0.572153 0.187894 Se\n0.501849 0.123012 0.768407 Se\n0.988429 0.006055 0.509094 Se\n",
"nsites": 29,
"nelements": 4,
"elements": [
"K",
"La",
"P",
"Se"
],
"chemical_system": "K-La-P-Se",
"density": 3.4386138387887297,
"density_atomic": 0.03265600950560716,
"volume": 888.0448174483962,
"volume_molar": 18.441141006423262,
"formula_full": "K8 La1 P4 Se16",
"formula_reduced": "K8La(PSe4)4",
"formula_anonymous": "AB4C8D16",
"energy_above_hull": 1.2389908574712645,
"spacegroup": 23
},
{
"id": "jvasp-112939",
"created_at": "2022-09-04T14:38:43.752597Z",
"updated_at": "2022-09-04T14:38:43.752612Z",
"structure_string": "Mg16 Al12 O1\n1.0\n8.558098 -0.024980 -2.904176\n-4.045273 7.541713 -2.904176\n-0.014997 -0.024980 9.037425\nMg Al O\n16 12 1\ndirect\n0.464317 0.464317 0.694190 Mg\n0.464318 0.694191 0.464317 Mg\n0.002884 0.329727 0.594364 Mg\n0.006402 0.328751 0.006402 Mg\n0.594364 0.002884 0.329727 Mg\n0.290289 0.701706 0.701705 Mg\n0.701706 0.290289 0.701706 Mg\n0.002884 0.594364 0.329727 Mg\n0.329727 0.594364 0.002884 Mg\n0.329727 0.002884 0.594364 Mg\n0.594365 0.329727 0.002884 Mg\n0.694191 0.464317 0.464317 Mg\n0.806214 0.806213 0.806212 Mg\n0.701707 0.701706 0.290289 Mg\n0.006402 0.006402 0.328751 Mg\n0.328751 0.006402 0.006402 Mg\n0.162015 0.355743 0.355742 Al\n0.639930 0.834579 0.025898 Al\n0.639930 0.025898 0.834579 Al\n0.802566 0.204585 0.204585 Al\n0.204585 0.802565 0.204584 Al\n0.025898 0.834579 0.639929 Al\n0.834580 0.639930 0.025898 Al\n0.355743 0.162015 0.355742 Al\n0.355743 0.355743 0.162015 Al\n0.204585 0.204585 0.802565 Al\n0.834580 0.025898 0.639929 Al\n0.025898 0.639930 0.834579 Al\n0.595715 0.595715 0.595714 O\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 2.082043750693065,
"density_atomic": 0.04990167182828587,
"volume": 581.142854287336,
"volume_molar": 12.068014035125886,
"formula_full": "Mg16 Al12 O1",
"formula_reduced": "Mg16Al12O",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.3948207551724141,
"spacegroup": 160
},
{
"id": "jvasp-20411",
"created_at": "2022-09-04T14:37:40.688304Z",
"updated_at": "2022-09-04T14:37:40.688326Z",
"structure_string": "Mg17 Al12\n1.0\n8.613800 0.000000 -3.045438\n-4.306900 7.459769 -3.045438\n-0.000000 -0.000000 9.136314\nMg Al\n17 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.684388 0.684388 0.287061 Mg\n0.397326 0.712939 0.397326 Mg\n0.000000 0.602674 0.315612 Mg\n0.602674 0.000000 0.315612 Mg\n0.315612 0.000000 0.602673 Mg\n0.684388 0.287061 0.684387 Mg\n0.287061 0.684388 0.684387 Mg\n0.712939 0.397326 0.397326 Mg\n0.315612 0.602674 -0.000000 Mg\n0.602674 0.315612 -0.000000 Mg\n0.397326 0.397326 0.712938 Mg\n0.000000 0.000000 0.342529 Mg\n0.000000 0.342529 -0.000000 Mg\n0.342529 -0.000000 -0.000000 Mg\n0.657471 0.657471 0.657471 Mg\n0.000000 0.315612 0.602673 Mg\n0.181295 0.367538 0.367538 Al\n0.000000 0.632462 0.813758 Al\n0.632462 0.000000 0.813758 Al\n0.813759 0.000000 0.632462 Al\n0.186241 0.818705 0.186241 Al\n0.632462 0.813759 -0.000000 Al\n0.000000 0.813759 0.632462 Al\n0.813759 0.632462 -0.000000 Al\n0.367538 0.367538 0.181295 Al\n0.367538 0.181295 0.367538 Al\n0.818705 0.186241 0.186241 Al\n0.186241 0.186241 0.818704 Al\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 2.084509479017446,
"density_atomic": 0.04939771016500617,
"volume": 587.0717469115377,
"volume_molar": 12.191133434897848,
"formula_full": "Mg17 Al12",
"formula_reduced": "Mg17Al12",
"formula_anonymous": "A12B17",
"energy_above_hull": 0.671367672906404,
"spacegroup": 217
},
{
"id": "jvasp-96664",
"created_at": "2022-09-04T14:36:17.214914Z",
"updated_at": "2022-09-04T14:36:17.214940Z",
"structure_string": "Nb6 Fe16 Si7\n1.0\n6.885525 -0.000000 3.975359\n2.295175 6.491735 3.975359\n-0.000000 0.000000 7.950719\nNb Fe Si\n6 16 7\ndirect\n0.795565 0.795565 0.204435 Nb\n0.204435 0.795565 0.795566 Nb\n0.204435 0.795565 0.204435 Nb\n0.795566 0.204435 0.795565 Nb\n0.204435 0.204435 0.795565 Nb\n0.795566 0.204435 0.204435 Nb\n0.173525 0.173525 0.479424 Fe\n0.826475 0.826474 0.826476 Fe\n0.826475 0.826474 0.520576 Fe\n0.380009 0.380008 0.380009 Fe\n0.619992 0.619991 0.140027 Fe\n0.140026 0.619991 0.619992 Fe\n0.619992 0.140026 0.619991 Fe\n0.859974 0.380008 0.380009 Fe\n0.380008 0.859973 0.380009 Fe\n0.173525 0.479424 0.173525 Fe\n0.479424 0.173525 0.173525 Fe\n0.619992 0.619991 0.619992 Fe\n0.520576 0.826474 0.826476 Fe\n0.380009 0.380008 0.859974 Fe\n0.173525 0.173525 0.173525 Fe\n0.826475 0.520575 0.826475 Fe\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"Si"
],
"chemical_system": "Fe-Nb-Si",
"density": 7.698130002263681,
"density_atomic": 0.0816006749020523,
"volume": 355.38921748882046,
"volume_molar": 7.380013421737692,
"formula_full": "Nb6 Fe16 Si7",
"formula_reduced": "Nb6Fe16Si7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 4.853123951724138,
"spacegroup": 225
},
{
"id": "jvasp-119603",
"created_at": "2022-09-04T14:38:52.086457Z",
"updated_at": "2022-09-04T14:38:52.086494Z",
"structure_string": "Li1 Mg17 Al11\n1.0\n8.567259 -0.045200 3.008016\n-4.176515 7.480421 3.008016\n0.035123 0.059476 9.098595\nLi Mg Al\n1 17 11\ndirect\n0.366107 0.366108 0.815088 Li\n0.315628 0.601654 -0.000201 Mg\n0.394457 0.709662 0.605719 Mg\n0.001901 0.317761 0.399685 Mg\n0.287215 0.686217 0.314758 Mg\n0.601428 -0.001524 0.684912 Mg\n-0.001525 0.601429 0.684913 Mg\n0.686217 0.287215 0.314758 Mg\n0.342862 0.004037 0.996905 Mg\n0.004036 0.342863 0.996905 Mg\n0.709661 0.394458 0.605719 Mg\n0.601654 0.315628 -0.000201 Mg\n0.397952 0.397952 0.284820 Mg\n0.656690 0.656691 0.347470 Mg\n0.003219 0.003220 0.997630 Mg\n0.681069 0.681070 0.713312 Mg\n0.996118 0.996119 0.655596 Mg\n0.317761 0.001901 0.399685 Mg\n0.817188 0.002350 0.368434 Al\n0.818161 0.183736 0.813476 Al\n0.635100 0.000440 0.187495 Al\n0.000439 0.635100 0.187495 Al\n0.812720 0.631413 0.003076 Al\n0.002349 0.817188 0.368435 Al\n0.365624 0.180603 0.631096 Al\n0.190208 0.190208 0.175400 Al\n0.180603 0.365625 0.631096 Al\n0.183735 0.818161 0.813476 Al\n0.631412 0.812721 0.003076 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Al"
],
"chemical_system": "Al-Li-Mg",
"density": 2.058560391831785,
"density_atomic": 0.05014643284832973,
"volume": 578.3063391111364,
"volume_molar": 12.0091109535433,
"formula_full": "Li1 Mg17 Al11",
"formula_reduced": "LiMg17Al11",
"formula_anonymous": "AB11C17",
"energy_above_hull": 0.3206175017241384,
"spacegroup": 8
},
{
"id": "jvasp-112558",
"created_at": "2022-09-04T14:38:41.462970Z",
"updated_at": "2022-09-04T14:38:41.462996Z",
"structure_string": "Mn2 Co21 B6\n1.0\n6.338161 -0.000000 3.659339\n2.112720 5.975675 3.659339\n-0.000000 -0.000000 7.318678\nMn Co B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750001 0.750000 Mn\n0.000000 0.000000 0.337491 Co\n-0.000000 0.337491 -0.000000 Co\n0.337491 0.000000 0.000000 Co\n0.000000 0.000000 0.662509 Co\n0.337491 0.000000 0.662509 Co\n-0.000000 0.337491 0.662509 Co\n0.337491 0.662510 0.000000 Co\n-0.000000 0.662510 -0.000000 Co\n0.662509 0.337491 0.000000 Co\n0.662509 0.000000 0.337491 Co\n-0.000000 0.662510 0.337491 Co\n0.621616 0.621617 0.621616 Co\n0.621616 0.621617 0.135152 Co\n0.621616 0.135152 0.621616 Co\n0.135151 0.621617 0.621616 Co\n0.378384 0.378384 0.378384 Co\n0.378384 0.378384 0.864849 Co\n0.378384 0.864849 0.378384 Co\n0.864848 0.378384 0.378384 Co\n0.000000 0.000000 0.000000 Co\n0.662509 0.000000 0.000000 Co\n0.277920 0.722081 0.277920 B\n0.722080 0.277920 0.277920 B\n0.722080 0.277920 0.722080 B\n0.722080 0.722081 0.277920 B\n0.277920 0.722081 0.722080 B\n0.277920 0.277920 0.722080 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mn",
"Co",
"B"
],
"chemical_system": "B-Co-Mn",
"density": 8.460679231275577,
"density_atomic": 0.10462009782254802,
"volume": 277.1933940378121,
"volume_molar": 5.7561987470270655,
"formula_full": "Mn2 Co21 B6",
"formula_reduced": "Mn2(Co7B2)3",
"formula_anonymous": "A2B6C21",
"energy_above_hull": 4.618775478715815,
"spacegroup": 225
},
{
"id": "jvasp-112658",
"created_at": "2022-09-04T14:38:42.987178Z",
"updated_at": "2022-09-04T14:38:42.987200Z",
"structure_string": "Nb12 Zn1 Se16\n1.0\n6.609642 0.002242 -2.265298\n-1.641981 8.810459 -4.781910\n-0.011711 -0.027787 10.741679\nNb Zn Se\n12 1 16\ndirect\n0.679106 0.619735 0.106827 Nb\n0.183973 0.513508 0.620531 Nb\n0.685925 0.512012 0.619341 Nb\n0.616947 0.107203 0.486578 Nb\n0.320894 0.380265 0.893172 Nb\n0.821896 0.379924 0.892443 Nb\n0.120278 0.107168 0.487965 Nb\n0.816026 0.486491 0.379469 Nb\n0.383053 0.892797 0.513421 Nb\n0.879722 0.892832 0.512035 Nb\n0.178104 0.620076 0.107556 Nb\n0.314075 0.487987 0.380659 Nb\n0.000000 0.000000 0.000000 Zn\n0.045334 0.278356 0.339525 Se\n0.958378 0.332888 0.666415 Se\n0.458396 0.333807 0.666943 Se\n0.844936 0.661226 0.939390 Se\n0.344653 0.661311 0.940181 Se\n0.543312 0.278691 0.338079 Se\n0.736191 0.061051 0.721626 Se\n0.764846 0.940567 0.278676 Se\n0.655347 0.338688 0.059818 Se\n0.155063 0.338774 0.060610 Se\n0.954666 0.721643 0.660475 Se\n0.456687 0.721308 0.661921 Se\n0.041622 0.667111 0.333584 Se\n0.263808 0.938948 0.278373 Se\n0.235154 0.059433 0.721323 Se\n0.541604 0.666192 0.333056 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"Se"
],
"chemical_system": "Nb-Se-Zn",
"density": 6.499136918532137,
"density_atomic": 0.04644793098831084,
"volume": 624.3550440879312,
"volume_molar": 12.965358481770787,
"formula_full": "Nb12 Zn1 Se16",
"formula_reduced": "Nb12ZnSe16",
"formula_anonymous": "AB12C16",
"energy_above_hull": 3.8095430022988506,
"spacegroup": 2
},
{
"id": "jvasp-23640",
"created_at": "2022-09-04T14:37:39.118551Z",
"updated_at": "2022-09-04T14:37:39.118572Z",
"structure_string": "Nb3 Fe20 B6\n1.0\n6.456905 -0.000000 3.727896\n2.152302 6.087628 3.727896\n0.000000 -0.000000 7.455792\nNb Fe B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.250000 Nb\n-0.000000 0.653385 0.000000 Fe\n0.653385 0.346615 0.000000 Fe\n0.346616 0.000000 0.653385 Fe\n-0.000000 0.346615 0.000000 Fe\n-0.000000 0.653385 0.346616 Fe\n-0.000000 0.346615 0.653385 Fe\n0.346615 0.653385 0.000000 Fe\n0.000000 0.000000 0.346615 Fe\n0.346616 0.000000 0.000000 Fe\n0.615922 0.615922 0.615922 Fe\n0.384078 0.384078 0.847767 Fe\n0.384078 0.847767 0.384078 Fe\n0.615922 0.152233 0.615922 Fe\n0.152233 0.615922 0.615922 Fe\n0.615922 0.615922 0.152233 Fe\n0.384078 0.384078 0.384078 Fe\n0.000000 0.000000 0.653384 Fe\n0.653385 0.000000 0.346615 Fe\n0.653385 0.000000 0.000000 Fe\n0.847768 0.384078 0.384078 Fe\n0.268401 0.268401 0.731599 B\n0.731599 0.731599 0.268402 B\n0.731599 0.268401 0.731599 B\n0.268401 0.731599 0.268402 B\n0.268401 0.731599 0.731599 B\n0.731599 0.268401 0.268402 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"B"
],
"chemical_system": "B-Fe-Nb",
"density": 8.275227721051438,
"density_atomic": 0.09895362571501266,
"volume": 293.06657326049134,
"volume_molar": 6.0858212283639,
"formula_full": "Nb3 Fe20 B6",
"formula_reduced": "Nb3(Fe10B3)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 4.957429093103449,
"spacegroup": 225
}
]
}