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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4557",
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"results": [
{
"id": "jvasp-16163",
"created_at": "2022-09-04T14:36:42.978723Z",
"updated_at": "2022-09-04T14:36:42.978741Z",
"structure_string": "Sr2 Zn2 Si2\n1.0\n2.155184 -3.732889 -0.000000\n2.155184 3.732889 0.000000\n0.000000 0.000000 8.979067\nSr Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333332 0.750000 Zn\n0.333332 0.666666 0.250000 Zn\n0.333332 0.666666 0.750000 Si\n0.666666 0.333332 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
"Si"
],
"chemical_system": "Si-Sr-Zn",
"density": 4.1633380555723845,
"density_atomic": 0.04152987388218948,
"volume": 144.4743130456065,
"volume_molar": 14.500744156082444,
"formula_full": "Sr2 Zn2 Si2",
"formula_reduced": "SrZnSi",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-101114",
"created_at": "2022-09-04T14:36:57.190618Z",
"updated_at": "2022-09-04T14:36:57.190646Z",
"structure_string": "Sr2 Zn5 Si3\n1.0\n4.281824 0.000000 0.000000\n0.000000 4.281824 0.000000\n-0.000000 -0.000000 10.659929\nSr Zn Si\n2 5 3\ndirect\n0.000000 0.000000 0.995942 Sr\n0.500000 0.500000 0.503521 Sr\n-0.000000 0.500000 0.252463 Zn\n0.500000 0.000000 0.748232 Zn\n0.500000 0.000000 0.252463 Zn\n-0.000000 0.500000 0.748232 Zn\n0.500000 0.500000 0.115280 Zn\n0.000000 0.000000 0.614606 Si\n0.000000 0.000000 0.387562 Si\n0.500000 0.500000 0.881700 Si\n",
"nsites": 10,
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"elements": [
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"Zn",
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],
"chemical_system": "Si-Sr-Zn",
"density": 4.983516570663403,
"density_atomic": 0.05116677725054205,
"volume": 195.43931702077373,
"volume_molar": 11.769630771373633,
"formula_full": "Sr2 Zn5 Si3",
"formula_reduced": "Sr2Zn5Si3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0093900419999999,
"spacegroup": 99
},
{
"id": "jvasp-14755",
"created_at": "2022-09-04T14:38:31.528674Z",
"updated_at": "2022-09-04T14:38:31.528694Z",
"structure_string": "Ta3 Si6\n1.0\n2.418550 -4.189051 0.000000\n2.418550 4.189051 0.000000\n-0.000000 0.000000 6.626049\nTa Si\n3 6\ndirect\n0.000000 0.500000 0.166667 Ta\n0.500000 0.500000 0.833333 Ta\n0.500000 0.000000 0.500000 Ta\n0.840540 0.681082 0.500000 Si\n0.159460 0.840540 0.833333 Si\n0.681082 0.840540 0.166667 Si\n0.159460 0.318918 0.500000 Si\n0.840540 0.159460 0.833333 Si\n0.318918 0.159460 0.166667 Si\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 8.79794272402626,
"density_atomic": 0.06703276791052687,
"volume": 134.26269391132564,
"volume_molar": 8.983876017231088,
"formula_full": "Ta3 Si6",
"formula_reduced": "TaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.7270088,
"spacegroup": 180
},
{
"id": "jvasp-16413",
"created_at": "2022-09-04T14:38:32.147217Z",
"updated_at": "2022-09-04T14:38:32.147247Z",
"structure_string": "Ta3 Si6\n1.0\n2.418550 -4.189051 -0.000000\n2.418550 4.189051 0.000000\n0.000000 -0.000000 6.626054\nTa Si\n3 6\ndirect\n0.000000 0.500000 0.833333 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.166667 Ta\n0.840541 0.159459 0.166667 Si\n0.159459 0.318918 0.500000 Si\n0.681082 0.840541 0.833333 Si\n0.159459 0.840541 0.166667 Si\n0.840541 0.681082 0.500000 Si\n0.318918 0.159459 0.833333 Si\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 8.7979360851257,
"density_atomic": 0.06703271732780607,
"volume": 134.2627952256186,
"volume_molar": 8.983882796441458,
"formula_full": "Ta3 Si6",
"formula_reduced": "TaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.7270088,
"spacegroup": 181
},
{
"id": "jvasp-15059",
"created_at": "2022-09-04T14:36:21.169584Z",
"updated_at": "2022-09-04T14:36:21.169605Z",
"structure_string": "Ta4 Si2\n1.0\n4.905475 0.013754 -1.278476\n-2.926734 3.936764 -1.278476\n-0.006889 -0.013754 5.069333\nTa Si\n4 2\ndirect\n0.837337 0.662662 0.499998 Ta\n0.337337 0.837336 0.174672 Ta\n0.162664 0.337337 0.499999 Ta\n0.662664 0.162663 0.825326 Ta\n0.750000 0.749998 -0.000002 Si\n0.250000 0.249999 -0.000001 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 13.225453335152242,
"density_atomic": 0.061268745293008735,
"volume": 97.92921286874548,
"volume_molar": 9.829058406859811,
"formula_full": "Ta4 Si2",
"formula_reduced": "Ta2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 4.747175666666666,
"spacegroup": 140
},
{
"id": "jvasp-93345",
"created_at": "2022-09-04T14:35:56.461380Z",
"updated_at": "2022-09-04T14:35:56.461409Z",
"structure_string": "Ta4 Si2\n1.0\n-3.097108 3.097108 -2.552367\n3.097108 -3.097108 -2.552367\n-3.097108 -3.097108 2.552367\nTa Si\n4 2\ndirect\n0.837341 0.337340 0.174679 Ta\n0.162660 0.662661 0.825322 Ta\n0.662661 0.837341 0.500000 Ta\n0.337340 0.162660 0.500000 Ta\n0.750001 0.750001 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 13.225345274206742,
"density_atomic": 0.06126824468570415,
"volume": 97.93001302353277,
"volume_molar": 9.829138717605794,
"formula_full": "Ta4 Si2",
"formula_reduced": "Ta2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 4.747175666666666,
"spacegroup": 140
},
{
"id": "jvasp-58240",
"created_at": "2022-09-04T14:37:50.012709Z",
"updated_at": "2022-09-04T14:37:50.012723Z",
"structure_string": "Ta10 Si6\n1.0\n3.771504 -6.532437 0.000000\n3.771504 6.532437 0.000000\n0.000000 -0.000000 5.282043\nTa Si\n10 6\ndirect\n-0.000000 0.243839 0.250000 Ta\n-0.000001 0.756160 0.750000 Ta\n0.756160 -0.000001 0.750000 Ta\n0.756160 0.756160 0.250000 Ta\n0.243839 -0.000000 0.250000 Ta\n0.243839 0.243839 0.750000 Ta\n0.333332 0.666667 0.500000 Ta\n0.666667 0.333332 0.000000 Ta\n0.666667 0.333332 0.500000 Ta\n0.333332 0.666667 0.000000 Ta\n0.395561 0.395561 0.250000 Si\n0.395562 -0.000000 0.750000 Si\n-0.000000 0.395562 0.750000 Si\n-0.000000 0.604438 0.250000 Si\n0.604438 -0.000000 0.250000 Si\n0.604437 0.604437 0.750000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 12.61978202411762,
"density_atomic": 0.061474959591656435,
"volume": 260.26857286737555,
"volume_molar": 9.796087382572829,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.206845225,
"spacegroup": 193
},
{
"id": "jvasp-20269",
"created_at": "2022-09-04T14:37:55.812869Z",
"updated_at": "2022-09-04T14:37:55.812882Z",
"structure_string": "Ta10 Si6\n1.0\n5.925271 -0.000000 -2.850745\n-1.371538 5.764354 -2.850739\n-0.007571 -0.009573 7.567472\nTa Si\n10 6\ndirect\n0.184882 0.013382 0.698265 Ta\n0.013383 0.513382 0.698265 Ta\n0.684886 0.184884 0.698258 Ta\n0.986617 0.486618 0.301735 Ta\n0.513372 0.684884 0.698257 Ta\n0.815118 0.986618 0.301735 Ta\n0.486627 0.315116 0.301743 Ta\n0.315114 0.815116 0.301742 Ta\n0.500000 0.500000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.630766 0.130767 0.999994 Si\n0.869227 0.630767 0.999994 Si\n0.130773 0.369233 0.000006 Si\n0.369233 0.869233 0.000006 Si\n0.750003 0.750000 0.500000 Si\n0.249997 0.250000 0.500000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 12.723537496292503,
"density_atomic": 0.061980385394350516,
"volume": 258.1461844452873,
"volume_molar": 9.716204121165266,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.192755225,
"spacegroup": 140
},
{
"id": "jvasp-91056",
"created_at": "2022-09-04T14:36:21.345453Z",
"updated_at": "2022-09-04T14:36:21.345467Z",
"structure_string": "Ta1 Si1 Tc2\n1.0\n-7.584234 -2.523108 -8.498977\n-4.312154 -1.285280 -1.468503\n-3.411496 1.262168 -3.028490\nTa Si Tc\n1 1 2\ndirect\n0.500001 -0.000001 -0.000001 Ta\n0.000000 0.000000 0.000000 Si\n0.775938 -0.041495 -0.041495 Tc\n0.224064 0.041493 0.041493 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Tc"
],
"chemical_system": "Si-Ta-Tc",
"density": 11.162324894966178,
"density_atomic": 0.06638573023247489,
"volume": 60.253912791084446,
"volume_molar": 9.071438604216876,
"formula_full": "Ta1 Si1 Tc2",
"formula_reduced": "TaSiTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.1349977,
"spacegroup": 12
},
{
"id": "jvasp-29307",
"created_at": "2022-09-04T14:37:56.695564Z",
"updated_at": "2022-09-04T14:37:56.695590Z",
"structure_string": "Ta12 Si4 Te24\n1.0\n6.427501 0.000000 0.000000\n0.000000 11.585725 0.000000\n0.000000 0.000000 14.315443\nTa Si Te\n12 4 24\ndirect\n0.668327 0.334730 0.750000 Ta\n0.168328 0.165271 0.750000 Ta\n0.831672 0.834730 0.250000 Ta\n0.331672 0.665271 0.250000 Ta\n0.968303 0.687412 0.750000 Ta\n0.468303 0.812589 0.750000 Ta\n0.531697 0.187412 0.250000 Ta\n0.031697 0.312588 0.250000 Ta\n0.695989 0.031439 0.750000 Ta\n0.195990 0.468561 0.750000 Ta\n0.804010 0.531440 0.250000 Ta\n0.304010 0.968561 0.250000 Ta\n0.425055 0.424799 0.250000 Si\n0.925055 0.075202 0.250000 Si\n0.074945 0.924799 0.750000 Si\n0.574944 0.575202 0.750000 Si\n0.650804 0.681187 0.383387 Te\n0.150804 0.818814 0.116613 Te\n0.150804 0.818814 0.383387 Te\n0.650804 0.681187 0.116613 Te\n0.349196 0.318814 0.616613 Te\n0.849196 0.181186 0.883387 Te\n0.854441 0.496759 0.621572 Te\n0.354441 0.003241 0.878427 Te\n0.645559 0.996759 0.378427 Te\n0.145559 0.503241 0.121572 Te\n0.145559 0.503241 0.378427 Te\n0.204212 0.157668 0.382368 Te\n0.354441 0.003241 0.621572 Te\n0.854441 0.496759 0.878427 Te\n0.795788 0.842333 0.617632 Te\n0.295788 0.657668 0.882368 Te\n0.704212 0.342332 0.382368 Te\n0.204212 0.157668 0.117632 Te\n0.349196 0.318814 0.883387 Te\n0.704212 0.342332 0.117632 Te\n0.295788 0.657668 0.617632 Te\n0.795788 0.842333 0.882368 Te\n0.645559 0.996759 0.121572 Te\n0.849196 0.181186 0.616613 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Si",
"Te"
],
"chemical_system": "Si-Ta-Te",
"density": 8.327552129819038,
"density_atomic": 0.037522332756125834,
"volume": 1066.031801913213,
"volume_molar": 16.049483914394514,
"formula_full": "Ta12 Si4 Te24",
"formula_reduced": "Ta3SiTe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.41012728,
"spacegroup": 62
},
{
"id": "jvasp-116642",
"created_at": "2022-09-04T14:38:51.138650Z",
"updated_at": "2022-09-04T14:38:51.138677Z",
"structure_string": "Ta3 V3 Si12\n1.0\n12.997086 -0.000000 0.000000\n-0.000000 4.092169 2.324545\n-0.000000 -0.000179 4.728557\nTa V Si\n3 3 12\ndirect\n0.082527 0.500000 0.500000 Ta\n0.585574 0.500000 0.500000 Ta\n0.248519 -0.000000 0.500000 Ta\n0.748927 -0.000000 0.500000 V\n0.418746 0.500000 -0.000001 V\n0.915726 0.500000 -0.000001 V\n0.753361 0.679290 0.152814 Si\n0.253493 0.675996 0.156344 Si\n0.584817 0.163925 0.162720 Si\n0.078231 0.165205 0.154875 Si\n0.912073 0.844020 0.325091 Si\n0.253493 0.324004 0.843656 Si\n0.753361 0.320710 0.847186 Si\n0.418018 0.157042 0.684349 Si\n0.584817 0.836074 0.837280 Si\n0.078231 0.834795 0.845124 Si\n0.418018 0.842957 0.315651 Si\n0.912073 0.155979 0.674909 Si\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"V",
"Si"
],
"chemical_system": "Si-Ta-V",
"density": 6.818412774415659,
"density_atomic": 0.071570653729773,
"volume": 251.49972875701283,
"volume_molar": 8.414259820425285,
"formula_full": "Ta3 V3 Si12",
"formula_reduced": "TaVSi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.310026300000001,
"spacegroup": 3
},
{
"id": "jvasp-14412",
"created_at": "2022-09-04T14:38:35.980452Z",
"updated_at": "2022-09-04T14:38:35.980477Z",
"structure_string": "Tb4 Si6\n1.0\n4.340125 0.000000 0.000000\n0.000000 4.113340 -0.725546\n-0.000000 0.040317 12.251232\nTb Si\n4 6\ndirect\n0.250000 0.252573 0.505145 Tb\n0.750001 0.747428 0.494854 Tb\n0.250000 0.616627 0.233254 Tb\n0.750001 0.383373 0.766745 Tb\n0.250000 0.480135 0.960269 Si\n0.750001 0.519865 0.039731 Si\n0.250000 0.835380 0.670759 Si\n0.750001 0.164621 0.329241 Si\n0.750001 0.069187 0.138373 Si\n0.250000 0.930814 0.861627 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 6.102282522093602,
"density_atomic": 0.04569528264855128,
"volume": 218.84097045446418,
"volume_molar": 13.178911281317845,
"formula_full": "Tb4 Si6",
"formula_reduced": "Tb2Si3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.55614852,
"spacegroup": 63
}
]
}