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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1560",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1558",
"results": [
{
"id": "jvasp-36847",
"created_at": "2022-09-04T14:37:47.696903Z",
"updated_at": "2022-09-04T14:37:47.696931Z",
"structure_string": "Pb2 Au2 O4\n1.0\n3.672459 0.017274 0.004696\n0.090895 5.581135 0.064695\n0.896138 0.287230 6.831997\nPb Au O\n2 2 4\ndirect\n0.325393 0.507463 0.257028 Pb\n0.674609 0.492537 0.742974 Pb\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.217337 0.311320 0.564053 O\n0.886784 0.179878 0.248510 O\n0.113217 0.820122 0.751492 O\n0.782665 0.688680 0.435949 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 10.351839014807807,
"density_atomic": 0.057171188841978686,
"volume": 139.93062173522438,
"volume_molar": 10.53352375904796,
"formula_full": "Pb2 Au2 O4",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1865938475000002,
"spacegroup": 2
},
{
"id": "jvasp-37704",
"created_at": "2022-09-04T14:38:04.878815Z",
"updated_at": "2022-09-04T14:38:04.878838Z",
"structure_string": "Pb1 Au3\n1.0\n-0.000000 3.469382 3.469384\n3.469383 -0.000001 3.469385\n3.469383 3.469383 -0.000001\nPb Au\n1 3\ndirect\n0.750000 0.750000 0.749999 Pb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.499999 Au\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 15.867893043586735,
"density_atomic": 0.04789310642166526,
"volume": 83.51932666014189,
"volume_molar": 12.574128533194877,
"formula_full": "Pb1 Au3",
"formula_reduced": "PbAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3873133824999999,
"spacegroup": 225
},
{
"id": "jvasp-17537",
"created_at": "2022-09-04T14:38:17.192434Z",
"updated_at": "2022-09-04T14:38:17.192470Z",
"structure_string": "Pb2 Au4\n1.0\n4.959241 0.000000 2.863219\n1.653080 4.675617 2.863219\n0.000000 0.000000 5.726439\nPb Au\n2 4\ndirect\n0.125000 0.125000 0.125000 Pb\n0.875000 0.875000 0.875001 Pb\n0.500000 -0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 15.035261327100043,
"density_atomic": 0.04518689174633612,
"volume": 132.78187031942724,
"volume_molar": 13.327185223994283,
"formula_full": "Pb2 Au4",
"formula_reduced": "PbAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3023619866666666,
"spacegroup": 227
},
{
"id": "jvasp-55967",
"created_at": "2022-09-04T14:38:08.535828Z",
"updated_at": "2022-09-04T14:38:08.535863Z",
"structure_string": "Pb7 Cl2 F12\n1.0\n5.144743 -8.910955 -0.000000\n5.144743 8.910955 0.000000\n0.000000 0.000000 3.974747\nPb Cl F\n7 2 12\ndirect\n0.109984 0.413515 0.500000 Pb\n0.586485 0.696469 0.500000 Pb\n0.303531 0.890015 0.500000 Pb\n0.712807 0.113954 0.000000 Pb\n0.401147 0.287193 0.000000 Pb\n0.886045 0.598852 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.333333 0.666667 0.000000 Cl\n0.666667 0.333333 0.500000 Cl\n0.277336 0.114393 0.500000 F\n0.960175 0.388428 0.000000 F\n0.083038 0.871900 0.000000 F\n0.428252 0.039825 0.000000 F\n0.568665 0.947570 0.500000 F\n0.378906 0.431335 0.500000 F\n0.052429 0.621094 0.500000 F\n0.788862 0.916961 0.000000 F\n0.611572 0.571747 0.000000 F\n0.128099 0.211137 0.000000 F\n0.885606 0.162943 0.500000 F\n0.837056 0.722663 0.500000 F\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Pb",
"Cl",
"F"
],
"chemical_system": "Cl-F-Pb",
"density": 7.970447484697604,
"density_atomic": 0.05762247038936576,
"volume": 364.44116085442175,
"volume_molar": 10.451028425729188,
"formula_full": "Pb7 Cl2 F12",
"formula_reduced": "Pb7(ClF6)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 0.0641608059523811,
"spacegroup": 174
},
{
"id": "jvasp-59062",
"created_at": "2022-09-04T14:38:13.593826Z",
"updated_at": "2022-09-04T14:38:13.593837Z",
"structure_string": "Pb7 Br2 F12\n1.0\n5.187229 -8.984545 0.000000\n5.187229 8.984545 0.000000\n0.000000 0.000000 4.012331\nPb Br F\n7 2 12\ndirect\n0.896812 0.305608 0.000000 Pb\n0.604469 0.893032 0.500000 Pb\n0.288563 0.395531 0.500000 Pb\n0.106968 0.711437 0.500000 Pb\n0.694392 0.591204 0.000000 Pb\n0.408796 0.103188 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.000000 Br\n0.666667 0.333333 0.500000 Br\n0.158397 0.883001 0.000000 F\n0.946424 0.567596 0.000000 F\n0.432404 0.378828 0.000000 F\n0.621172 0.053576 0.000000 F\n0.875502 0.084792 0.500000 F\n0.042021 0.428131 0.500000 F\n0.915208 0.790710 0.500000 F\n0.571869 0.613891 0.500000 F\n0.116999 0.275397 0.000000 F\n0.386109 0.957979 0.500000 F\n0.209290 0.124498 0.500000 F\n0.724603 0.841603 0.000000 F\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Pb",
"Br",
"F"
],
"chemical_system": "Br-F-Pb",
"density": 8.161706324179756,
"density_atomic": 0.05615145787203047,
"volume": 373.98850886221214,
"volume_molar": 10.724816395194043,
"formula_full": "Pb7 Br2 F12",
"formula_reduced": "Pb7(BrF6)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 0.0460517583333333,
"spacegroup": 174
},
{
"id": "jvasp-12486",
"created_at": "2022-09-04T14:38:06.183432Z",
"updated_at": "2022-09-04T14:38:06.183446Z",
"structure_string": "Pb5 S2 I6\n1.0\n4.467326 0.000000 -0.000000\n-2.233664 7.180958 -1.013703\n-0.000000 0.005899 14.766325\nPb S I\n5 2 6\ndirect\n0.784663 0.569325 0.238771 Pb\n0.873377 0.746751 0.536624 Pb\n0.126625 0.253250 0.463377 Pb\n0.215338 0.430676 0.761229 Pb\n0.000000 0.000000 0.000000 Pb\n0.719415 0.438829 0.404414 S\n0.280587 0.561171 0.595587 S\n0.362792 0.725583 0.064643 I\n0.572147 0.144292 0.644723 I\n0.119546 0.239092 0.203007 I\n0.637209 0.274417 0.935358 I\n0.427855 0.855709 0.355278 I\n0.880456 0.760909 0.796993 I\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Pb",
"S",
"I"
],
"chemical_system": "I-Pb-S",
"density": 6.525269418155146,
"density_atomic": 0.027442040813249798,
"volume": 473.72570023010934,
"volume_molar": 21.944944987809865,
"formula_full": "Pb5 S2 I6",
"formula_reduced": "Pb5(SI3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 0.244312442307692,
"spacegroup": 12
},
{
"id": "jvasp-97708",
"created_at": "2022-09-04T14:35:52.790493Z",
"updated_at": "2022-09-04T14:35:52.790517Z",
"structure_string": "Pb5 I2 F8\n1.0\n4.252751 -0.018546 18.741044\n2.083956 3.707203 18.741044\n-0.031859 -0.018546 19.217482\nPb I F\n5 2 8\ndirect\n0.005651 0.005650 0.005650 Pb\n0.388516 0.388514 0.388515 Pb\n0.475067 0.475064 0.475066 Pb\n0.191250 0.191249 0.191250 Pb\n0.919262 0.919257 0.919261 Pb\n0.761858 0.761854 0.761857 I\n0.626046 0.626043 0.626045 I\n0.146708 0.146707 0.146708 F\n0.242442 0.242441 0.242442 F\n0.342340 0.342338 0.342340 F\n0.517729 0.517726 0.517728 F\n0.879075 0.879070 0.879074 F\n0.047989 0.047989 0.047989 F\n0.694067 0.694063 0.694066 F\n0.828215 0.828211 0.828214 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Pb",
"I",
"F"
],
"chemical_system": "F-I-Pb",
"density": 7.806184155078915,
"density_atomic": 0.048907682914785804,
"volume": 306.7002790979736,
"volume_molar": 12.313281679061884,
"formula_full": "Pb5 I2 F8",
"formula_reduced": "Pb5(IF4)2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 0.1125806666666666,
"spacegroup": 160
},
{
"id": "jvasp-109695",
"created_at": "2022-09-04T14:38:27.978556Z",
"updated_at": "2022-09-04T14:38:27.978578Z",
"structure_string": "Pb4 Se1 S3\n1.0\n4.247326 0.014146 13.523292\n2.085504 3.700088 13.523292\n0.024120 0.014146 14.174576\nPb Se S\n4 1 3\ndirect\n0.874220 0.874223 0.874220 Pb\n0.125779 0.125779 0.125779 Pb\n0.377393 0.377394 0.377393 Pb\n0.622606 0.622608 0.622606 Pb\n0.000000 0.000000 0.000000 Se\n0.248469 0.248470 0.248469 S\n0.499999 0.500001 0.499999 S\n0.751530 0.751533 0.751530 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pb",
"Se",
"S"
],
"chemical_system": "Pb-S-Se",
"density": 7.552823961231068,
"density_atomic": 0.03624399025514302,
"volume": 220.7262485086007,
"volume_molar": 16.615556724319166,
"formula_full": "Pb4 Se1 S3",
"formula_reduced": "Pb4SeS3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0951945808333334,
"spacegroup": 166
},
{
"id": "jvasp-85534",
"created_at": "2022-09-04T14:35:46.694978Z",
"updated_at": "2022-09-04T14:35:46.695005Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256782 0.000057 1.001664\n1.175193 8.154535 4.553146\n-0.068603 -0.168781 9.838541\nPb Se Br\n4 1 6\ndirect\n0.004763 -0.005843 -0.008378 Pb\n0.257282 0.499335 0.981038 Pb\n0.495642 0.533861 0.470032 Pb\n0.765441 0.010708 0.453529 Pb\n0.968955 0.747067 0.310186 Se\n0.359720 0.119184 0.156534 Br\n0.632567 0.819819 0.910330 Br\n0.120845 0.176384 0.576974 Br\n0.888207 0.401980 0.816746 Br\n0.301946 0.762737 0.628534 Br\n0.682066 0.401050 0.229834 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 6.67386188053753,
"density_atomic": 0.03187034253452526,
"volume": 345.14847112432693,
"volume_molar": 18.895751601904475,
"formula_full": "Pb4 Se1 Br6",
"formula_reduced": "Pb4SeBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.1276228433333333,
"spacegroup": 8
},
{
"id": "jvasp-33182",
"created_at": "2022-09-04T14:38:10.787709Z",
"updated_at": "2022-09-04T14:38:10.787733Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256743 -0.000251 1.001800\n1.174942 8.644123 4.554686\n0.030786 0.049527 9.411794\nPb Se Br\n4 1 6\ndirect\n-0.008620 0.008964 0.005333 Pb\n0.230513 0.547126 0.988879 Pb\n0.500421 0.530607 0.465712 Pb\n0.738583 0.019597 0.500097 Pb\n0.027093 0.690449 0.252465 Se\n0.363555 0.090385 0.179614 Br\n0.636301 0.844047 0.880365 Br\n0.107772 0.183822 0.597559 Br\n0.875114 0.423724 0.823059 Br\n0.313817 0.770854 0.598406 Br\n0.694063 0.372107 0.236807 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 6.673855749369482,
"density_atomic": 0.03187031325576143,
"volume": 345.14878820688875,
"volume_molar": 18.8957689611392,
"formula_full": "Pb4 Se1 Br6",
"formula_reduced": "Pb4SeBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.1276228433333333,
"spacegroup": 8
},
{
"id": "jvasp-107533",
"created_at": "2022-09-04T14:36:57.293960Z",
"updated_at": "2022-09-04T14:36:57.293996Z",
"structure_string": "Pb4 Se3 S1\n1.0\n4.350927 -0.000000 0.000000\n0.000000 4.350927 0.000000\n0.000000 -0.000000 12.298717\nPb Se S\n4 3 1\ndirect\n0.000000 0.000000 0.255076 Pb\n0.500000 0.500000 -0.000000 Pb\n0.000000 0.000000 0.744925 Pb\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.251149 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.748852 Se\n0.000000 0.000000 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Se",
"S"
],
"chemical_system": "Pb-S-Se",
"density": 7.829376236462146,
"density_atomic": 0.03436106256026163,
"volume": 232.82167092387752,
"volume_molar": 17.52606092852487,
"formula_full": "Pb4 Se3 S1",
"formula_reduced": "Pb4Se3S",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9515141725,
"spacegroup": 123
},
{
"id": "jvasp-97368",
"created_at": "2022-09-04T14:35:57.703804Z",
"updated_at": "2022-09-04T14:35:57.703820Z",
"structure_string": "Pb8 I2 F14\n1.0\n6.045216 0.000000 0.000000\n0.000000 5.946629 -1.439267\n0.000000 -0.042077 12.830645\nPb I F\n8 2 14\ndirect\n0.750000 0.058763 0.117526 Pb\n0.750000 0.653683 0.307366 Pb\n0.250000 0.346317 0.692634 Pb\n0.750000 0.452365 0.904732 Pb\n0.250000 0.547634 0.095269 Pb\n0.750000 0.824578 0.649156 Pb\n0.250000 0.175422 0.350844 Pb\n0.250000 0.941237 0.882474 Pb\n0.750000 0.249784 0.499568 I\n0.250000 0.750216 0.500432 I\n0.500000 0.775000 -0.000000 F\n0.000000 0.225000 -0.000000 F\n0.520335 0.112157 0.757030 F\n0.000000 0.775000 -0.000000 F\n0.500000 0.225000 -0.000000 F\n0.020334 0.355128 0.242971 F\n0.520335 0.644872 0.757030 F\n0.979666 0.112157 0.757030 F\n0.479666 0.887843 0.242970 F\n0.979666 0.644872 0.757030 F\n0.479666 0.355128 0.242971 F\n0.020334 0.887843 0.242970 F\n0.750000 0.561765 0.123530 F\n0.250000 0.438235 0.876470 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pb",
"I",
"F"
],
"chemical_system": "F-I-Pb",
"density": 7.84509719173405,
"density_atomic": 0.05207447854484066,
"volume": 460.87835482277393,
"volume_molar": 11.564476358249873,
"formula_full": "Pb8 I2 F14",
"formula_reduced": "Pb4IF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}