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=created_at&page=4181",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4179",
"results": [
{
"id": "jvasp-114370",
"created_at": "2022-09-04T14:38:41.613451Z",
"updated_at": "2022-09-04T14:38:41.613475Z",
"structure_string": "Pd1 Se1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nPd Se O\n1 1 1\ndirect\n0.339551 -0.033499 0.000000 Pd\n-0.036336 0.325438 0.000000 Se\n-0.075889 -0.081514 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 1.7412280957830473,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Pd1 Se1 O1",
"formula_reduced": "PdSeO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.339067522222222,
"spacegroup": 6
},
{
"id": "jvasp-111724",
"created_at": "2022-09-04T14:38:41.613787Z",
"updated_at": "2022-09-04T14:38:41.613813Z",
"structure_string": "Yb2 Ti2 Cl2 O6\n1.0\n4.992886 -0.015911 1.485345\n3.503879 3.556964 1.485345\n0.053131 0.022143 10.155659\nYb Ti Cl O\n2 2 2 6\ndirect\n0.284560 0.284559 0.187431 Yb\n0.715442 0.715439 0.812570 Yb\n0.886421 0.886419 0.430999 Ti\n0.113580 0.113580 0.569002 Ti\n0.609314 0.609313 0.102706 Cl\n0.390688 0.390686 0.897295 Cl\n0.852307 0.852304 0.261400 O\n0.147695 0.147694 0.738601 O\n0.659324 0.659321 0.553435 O\n0.340678 0.340677 0.446566 O\n0.913286 0.913283 0.622999 O\n0.086716 0.086716 0.377002 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Yb",
"Ti",
"Cl",
"O"
],
"chemical_system": "Cl-O-Ti-Yb",
"density": 5.597044873343839,
"density_atomic": 0.06644708520216201,
"volume": 180.5948291560207,
"volume_molar": 9.063062347547573,
"formula_full": "Yb2 Ti2 Cl2 O6",
"formula_reduced": "YbTiClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.453330600138889,
"spacegroup": 12
},
{
"id": "jvasp-114658",
"created_at": "2022-09-04T14:38:41.614301Z",
"updated_at": "2022-09-04T14:38:41.614332Z",
"structure_string": "Ga1 Ag1 Se1\n1.0\n4.828742 0.000000 -0.000000\n-2.414371 4.181813 0.000000\n0.000000 -0.000000 3.843169\nGa Ag Se\n1 1 1\ndirect\n0.333333 0.666665 0.000000 Ga\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333333 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Ga-Se",
"density": 5.489528639969982,
"density_atomic": 0.03865744637410581,
"volume": 77.60471219354808,
"volume_molar": 15.578216682294496,
"formula_full": "Ga1 Ag1 Se1",
"formula_reduced": "GaAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.245840983888889,
"spacegroup": 187
},
{
"id": "jvasp-116173",
"created_at": "2022-09-04T14:38:41.620723Z",
"updated_at": "2022-09-04T14:38:41.620762Z",
"structure_string": "Zr1 I1 N1\n1.0\n3.350715 -0.000000 -0.000000\n-0.000000 3.350715 0.000000\n-0.000000 0.000000 7.137574\nZr I N\n1 1 1\ndirect\n0.000000 0.000000 -0.028487 Zr\n0.000000 0.000000 0.419926 I\n0.000000 0.000000 0.714182 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"I",
"N"
],
"chemical_system": "I-N-Zr",
"density": 4.810214440648075,
"density_atomic": 0.037436535520289346,
"volume": 80.13562041215327,
"volume_molar": 16.08626620039721,
"formula_full": "Zr1 I1 N1",
"formula_reduced": "ZrIN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9700013416666664,
"spacegroup": 99
},
{
"id": "jvasp-116300",
"created_at": "2022-09-04T14:38:41.621205Z",
"updated_at": "2022-09-04T14:38:41.621226Z",
"structure_string": "Li2 Se1\n1.0\n4.346944 0.000000 0.000000\n-2.173472 3.764564 -0.000000\n-0.000000 0.000000 4.502486\nLi Se\n2 1\ndirect\n0.333334 0.666666 0.000000 Li\n0.666667 0.333333 0.000000 Li\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Se"
],
"chemical_system": "Li-Se",
"density": 2.092389266889299,
"density_atomic": 0.04071647323713972,
"volume": 73.68025178721855,
"volume_molar": 14.790428249829056,
"formula_full": "Li2 Se1",
"formula_reduced": "Li2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4676811222222223,
"spacegroup": 191
},
{
"id": "jvasp-112652",
"created_at": "2022-09-04T14:38:41.627110Z",
"updated_at": "2022-09-04T14:38:41.627134Z",
"structure_string": "Rb3 Ag9 Sb4 S12\n1.0\n9.063967 0.056396 -3.559665\n-4.193051 8.035982 -3.559665\n-0.033946 -0.056396 9.737842\nRb Ag Sb S\n3 9 4 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.673309 0.673309 -0.000001 Rb\n0.326692 0.326691 -0.000000 Rb\n0.250000 0.750000 0.499999 Ag\n0.356115 0.500596 0.513327 Ag\n0.987269 0.842787 0.486671 Ag\n0.512726 0.004725 0.172661 Ag\n0.832063 0.340064 0.827338 Ag\n0.659935 0.487274 0.491998 Ag\n0.995275 0.167937 0.508000 Ag\n0.499403 0.012731 0.855518 Ag\n0.157213 0.643884 0.144481 Ag\n0.400104 0.134956 0.512251 Sb\n0.622705 0.887852 0.487748 Sb\n0.865045 0.377295 0.265148 Sb\n0.112147 0.599895 0.734851 Sb\n0.197079 0.883636 0.773066 S\n0.110569 0.424013 0.226933 S\n0.910521 0.116392 0.706031 S\n0.410360 0.204490 0.293968 S\n0.795510 0.089479 0.205871 S\n0.883608 0.589639 0.794128 S\n0.116364 0.889430 0.313443 S\n0.575986 0.802920 0.686555 S\n0.338308 0.687273 0.020964 S\n0.666309 0.317342 0.979035 S\n0.682657 0.661692 0.348966 S\n0.312726 0.333691 0.651033 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-Rb-S-Sb",
"density": 4.923341749628969,
"density_atomic": 0.03955020887722712,
"volume": 707.9608627837692,
"volume_molar": 15.226571315196084,
"formula_full": "Rb3 Ag9 Sb4 S12",
"formula_reduced": "Rb3Ag9(SbS3)4",
"formula_anonymous": "A3B4C9D12",
"energy_above_hull": 1.0811774907142857,
"spacegroup": 82
},
{
"id": "jvasp-114371",
"created_at": "2022-09-04T14:38:41.632781Z",
"updated_at": "2022-09-04T14:38:41.632810Z",
"structure_string": "Pd1 Se1 O4\n1.0\n4.680006 0.000000 -0.152522\n0.000000 3.127583 0.000000\n-1.999063 0.000000 5.113195\nPd Se O\n1 1 4\ndirect\n0.500001 0.500000 0.000000 Pd\n0.500001 0.000000 0.500000 Se\n0.727826 0.000000 0.235590 O\n0.730186 0.500000 0.751006 O\n0.272177 0.000000 0.764410 O\n0.269817 0.500000 0.248994 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pd",
"Se",
"O"
],
"chemical_system": "O-Pd-Se",
"density": 5.604386045816254,
"density_atomic": 0.0812031272727351,
"volume": 73.88877992159017,
"volume_molar": 7.416143887874631,
"formula_full": "Pd1 Se1 O4",
"formula_reduced": "PdSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.283357177777778,
"spacegroup": 10
},
{
"id": "jvasp-116458",
"created_at": "2022-09-04T14:38:41.633176Z",
"updated_at": "2022-09-04T14:38:41.633210Z",
"structure_string": "Au1 S2\n1.0\n5.577427 0.000000 -0.893055\n0.000000 3.091908 0.000000\n-1.043668 0.000000 4.033038\nAu S\n1 2\ndirect\n0.466652 0.000000 0.133342 Au\n-0.191446 0.000000 -0.311278 S\n0.124795 0.000000 0.577937 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Au",
"S"
],
"chemical_system": "Au-S",
"density": 6.503336506715003,
"density_atomic": 0.04499945137151766,
"volume": 66.66747945951283,
"volume_molar": 13.382698180653168,
"formula_full": "Au1 S2",
"formula_reduced": "AuS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2549925233333332,
"spacegroup": 10
},
{
"id": "jvasp-112113",
"created_at": "2022-09-04T14:38:41.636366Z",
"updated_at": "2022-09-04T14:38:41.636384Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.754920 0.138088 0.640458\n1.093805 4.366426 0.621918\n0.192280 0.259845 11.352759\nCd H C O\n1 10 7 4\ndirect\n0.945220 0.891851 0.202061 Cd\n0.422936 0.742709 0.548698 H\n0.534753 0.666236 0.778804 H\n0.077603 0.641098 0.822427 H\n0.217079 0.183845 0.707667 H\n0.671786 0.212531 0.657041 H\n0.782478 0.180184 0.902557 H\n0.386310 0.058057 0.910617 H\n0.098310 0.232389 0.508610 H\n0.929254 0.616630 0.440064 H\n-0.027617 0.741164 0.618057 H\n0.478331 0.392179 0.370194 C\n0.168385 0.450993 0.475600 C\n0.240920 0.589640 0.581533 C\n0.386435 0.350033 0.685190 C\n0.364709 0.501246 0.798380 C\n0.479031 0.267559 0.907143 C\n0.324738 0.387758 0.028941 C\n0.136589 0.669113 0.030869 O\n0.490092 0.614967 0.284391 O\n0.710007 0.126541 0.370025 O\n0.380391 0.196026 0.124983 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.448735937352078,
"density_atomic": 0.11990776085184601,
"volume": 183.47436265766365,
"volume_molar": 5.0223110807988105,
"formula_full": "Cd1 H10 C7 O4",
"formula_reduced": "CdH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.349346079545454,
"spacegroup": 1
},
{
"id": "jvasp-112005",
"created_at": "2022-09-04T14:38:41.637272Z",
"updated_at": "2022-09-04T14:38:41.637299Z",
"structure_string": "H22 C26 N2\n1.0\n4.868453 -0.119245 1.410238\n2.006207 7.694148 2.216424\n-0.030276 -0.117159 11.596943\nH C N\n22 26 2\ndirect\n0.237018 0.637580 0.559427 H\n0.464704 0.792477 0.052233 H\n0.001595 0.469167 0.979724 H\n0.772346 0.624892 0.386596 H\n0.022104 0.104196 0.393237 H\n0.560801 0.411191 0.355948 H\n0.292851 0.316256 0.276412 H\n0.590649 0.333617 0.053452 H\n0.843515 0.173587 0.125316 H\n0.195438 0.693382 0.005377 H\n0.647319 0.027344 0.062243 H\n0.829829 0.870475 0.380122 H\n0.559860 0.093115 0.477222 H\n0.400476 0.213656 0.891241 H\n0.606891 0.714496 0.888960 H\n0.418243 0.479286 0.874766 H\n0.191370 -0.002490 0.862943 H\n0.886289 0.920657 0.778914 H\n0.182895 0.941072 0.554537 H\n0.435417 0.780652 0.625976 H\n0.775655 0.306599 0.505874 H\n0.061225 0.398910 0.549940 H\n0.825705 0.592556 0.296206 C\n0.011162 0.902343 0.310246 C\n0.705819 0.469715 0.279199 C\n0.345831 0.087265 0.228555 C\n0.008209 0.675916 0.199370 C\n0.357894 0.862661 0.125976 C\n0.126327 0.812608 0.212795 C\n0.465979 0.996388 0.132148 C\n0.066341 0.628053 0.085038 C\n0.953569 0.502494 0.069530 C\n0.118209 0.035220 0.318068 C\n0.770327 0.421162 0.165984 C\n0.663170 0.284113 0.140627 C\n0.439443 0.188451 0.799486 C\n0.954587 0.468311 0.624320 C\n0.651435 0.237516 0.585165 C\n0.058905 0.603892 0.630289 C\n0.724805 0.416868 0.711772 C\n0.362139 0.027374 0.667818 C\n0.608014 0.278527 0.700437 C\n0.937102 0.694573 0.726948 C\n0.318911 0.065156 0.783432 C\n0.603113 0.509574 0.807211 C\n0.706386 0.643892 0.814860 C\n0.254814 0.891061 0.641639 C\n0.529522 0.116770 0.568976 C\n0.038186 0.827418 0.739655 N\n0.446517 0.221629 0.239455 N\n",
"nsites": 50,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.3727700770996043,
"density_atomic": 0.11403839604427166,
"volume": 438.4488184189222,
"volume_molar": 5.280801001148861,
"formula_full": "H22 C26 N2",
"formula_reduced": "H11C13N",
"formula_anonymous": "AB11C13",
"energy_above_hull": 5.71794693,
"spacegroup": 1
},
{
"id": "jvasp-115081",
"created_at": "2022-09-04T14:38:41.646085Z",
"updated_at": "2022-09-04T14:38:41.646118Z",
"structure_string": "Hf1 Cl3\n1.0\n3.100302 1.285784 0.607615\n-2.094966 -7.380485 -2.148005\n0.545169 -3.135582 -5.515426\nHf Cl\n1 3\ndirect\n0.557724 0.906913 0.168275 Hf\n0.057653 0.406888 0.668264 Cl\n0.384225 0.071842 0.333355 Cl\n0.731161 0.741920 0.003255 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 4.958363906590633,
"density_atomic": 0.04193093940313814,
"volume": 95.3949531524361,
"volume_molar": 14.362045891939397,
"formula_full": "Hf1 Cl3",
"formula_reduced": "HfCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.021861300625,
"spacegroup": 71
},
{
"id": "jvasp-111725",
"created_at": "2022-09-04T14:38:41.646876Z",
"updated_at": "2022-09-04T14:38:41.646901Z",
"structure_string": "V2 Fe2 Pb1 O8 F2\n1.0\n5.061869 0.031769 1.841515\n1.559366 4.815798 1.841515\n-0.153261 -0.112206 7.778642\nV Fe Pb O F\n2 2 1 8 2\ndirect\n0.559879 0.559878 0.250672 V\n0.440123 0.440122 0.749328 V\n0.500000 -0.000000 0.500000 Fe\n0.000001 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Pb\n0.670409 0.670408 0.405128 O\n0.329592 0.329592 0.594872 O\n0.302058 0.302057 0.965881 O\n0.697943 0.697943 0.034119 O\n0.682979 0.198124 0.281007 O\n0.317023 0.801876 0.718993 O\n0.801877 0.317021 0.718993 O\n0.198124 0.682978 0.281007 O\n0.832311 0.832311 0.591619 F\n0.167690 0.167689 0.408381 F\n",
"nsites": 15,
"nelements": 5,
"elements": [
"V",
"Fe",
"Pb",
"O",
"F"
],
"chemical_system": "F-Fe-O-Pb-V",
"density": 5.093074695992752,
"density_atomic": 0.07840757133568696,
"volume": 191.3080553889417,
"volume_molar": 7.680560253827223,
"formula_full": "V2 Fe2 Pb1 O8 F2",
"formula_reduced": "V2Fe2Pb(O4F)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 2.749464585666667,
"spacegroup": 12
}
]
}