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=energy_above_hull&page=4086",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4084",
"results": [
{
"id": "jvasp-80115",
"created_at": "2022-09-04T14:37:08.890971Z",
"updated_at": "2022-09-04T14:37:08.890989Z",
"structure_string": "Mn1 Co3\n1.0\n3.499447 -0.000000 0.000000\n0.000000 3.499447 0.000000\n-0.000000 -0.000000 3.499447\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.979401635442379,
"density_atomic": 0.09333869619344164,
"volume": 42.854680460825385,
"volume_molar": 6.451922948997804,
"formula_full": "Mn1 Co3",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.525959985344828,
"spacegroup": 221
},
{
"id": "jvasp-37805",
"created_at": "2022-09-04T14:37:48.102341Z",
"updated_at": "2022-09-04T14:37:48.102365Z",
"structure_string": "Hf6 Al16 Rh7\n1.0\n0.000000 6.151794 6.151794\n6.151794 0.000000 6.151794\n6.151794 6.151794 -0.000000\nHf Al Rh\n6 16 7\ndirect\n0.683324 0.316674 0.316674 Hf\n0.316674 0.683324 0.683324 Hf\n0.316674 0.683324 0.316674 Hf\n0.316674 0.316674 0.683324 Hf\n0.683324 0.316674 0.683324 Hf\n0.683324 0.683324 0.316674 Hf\n0.358667 0.880444 0.880444 Al\n0.880444 0.358667 0.880444 Al\n0.880444 0.880444 0.358667 Al\n0.880444 0.880444 0.880444 Al\n0.119555 0.641336 0.119555 Al\n0.641336 0.119555 0.119555 Al\n0.119555 0.119555 0.641336 Al\n0.119555 0.119555 0.119555 Al\n0.661962 0.014115 0.661962 Al\n0.661962 0.661962 0.014115 Al\n0.661962 0.661962 0.661962 Al\n0.338038 0.985884 0.338038 Al\n0.985884 0.338038 0.338038 Al\n0.338038 0.338038 0.985884 Al\n0.338038 0.338038 0.338038 Al\n0.014115 0.661962 0.661962 Al\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Rh"
],
"chemical_system": "Al-Hf-Rh",
"density": 7.927749405446368,
"density_atomic": 0.06228201427061463,
"volume": 465.62399016183605,
"volume_molar": 9.669148999956661,
"formula_full": "Hf6 Al16 Rh7",
"formula_reduced": "Hf6Al16Rh7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.5259635793103445,
"spacegroup": 225
},
{
"id": "jvasp-37185",
"created_at": "2022-09-04T14:38:02.820420Z",
"updated_at": "2022-09-04T14:38:02.820439Z",
"structure_string": "Mn1 Co3\n1.0\n3.499573 0.000000 -0.000000\n-0.000000 3.499573 -0.000000\n-0.000000 -0.000000 3.499573\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.978431776658736,
"density_atomic": 0.0933286147472571,
"volume": 42.85930966437664,
"volume_molar": 6.4526198918826125,
"formula_full": "Mn1 Co3",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.525987485344828,
"spacegroup": 221
},
{
"id": "jvasp-28566",
"created_at": "2022-09-04T14:35:49.626751Z",
"updated_at": "2022-09-04T14:35:49.626772Z",
"structure_string": "Te2 Mo3 S4\n1.0\n3.309643 0.000000 0.000000\n-1.654821 2.862895 0.138093\n0.000000 0.968669 19.765852\nTe Mo S\n2 3 4\ndirect\n0.588857 0.177714 0.581842 Te\n0.523510 0.047019 0.776772 Te\n0.440055 0.880110 0.024974 Mo\n0.222826 0.445653 0.679375 Mo\n0.670420 0.340839 0.336640 Mo\n0.311073 0.622145 0.414284 S\n0.799391 0.598782 0.947339 S\n0.747390 0.494780 0.102577 S\n0.363076 0.726152 0.259035 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 5.96593521310899,
"density_atomic": 0.04816906725616569,
"volume": 186.8418990165933,
"volume_molar": 12.502091286040336,
"formula_full": "Te2 Mo3 S4",
"formula_reduced": "Te2Mo3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.526169248148148,
"spacegroup": 160
},
{
"id": "jvasp-119301",
"created_at": "2022-09-04T14:38:50.449320Z",
"updated_at": "2022-09-04T14:38:50.449341Z",
"structure_string": "Mn6 Co4 O16\n1.0\n4.870125 -0.000000 0.000000\n0.000000 5.691503 0.000000\n-0.000000 -0.000000 9.153440\nMn Co O\n6 4 16\ndirect\n0.176433 0.761814 0.002214 Mn\n0.823566 0.738186 0.502214 Mn\n0.823566 0.261814 0.502214 Mn\n0.176433 0.238186 0.002214 Mn\n0.687609 0.500000 0.997805 Mn\n0.312390 0.000000 0.497805 Mn\n0.680973 0.000000 0.810815 Co\n0.319026 0.500000 0.310815 Co\n0.679871 0.000000 0.212016 Co\n0.320128 0.500000 0.712016 Co\n0.335289 0.000000 0.111453 O\n0.025738 0.500000 0.888272 O\n0.974261 0.000000 0.388272 O\n0.643558 0.000000 0.609558 O\n0.356441 0.500000 0.109558 O\n0.664710 0.500000 0.611453 O\n0.501407 0.772195 0.372849 O\n0.146526 0.758679 0.611477 O\n0.498592 0.272195 0.872849 O\n0.501407 0.227804 0.372849 O\n0.853473 0.741320 0.111477 O\n0.977280 0.500000 0.388906 O\n0.146526 0.241321 0.611477 O\n0.853473 0.258679 0.111477 O\n0.498592 0.727804 0.872849 O\n0.022719 0.000000 0.888906 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 5.375597077449472,
"density_atomic": 0.10247594489502006,
"volume": 253.7180801468609,
"volume_molar": 5.876638430774453,
"formula_full": "Mn6 Co4 O16",
"formula_reduced": "Mn3(CoO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.5265162710875333,
"spacegroup": 31
},
{
"id": "jvasp-28942",
"created_at": "2022-09-04T14:37:56.244829Z",
"updated_at": "2022-09-04T14:37:56.244838Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.345227 -0.000011 -0.000017\n-1.672623 2.897048 -0.000103\n-0.000185 -0.001361 36.083224\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666651 0.333306 0.418676 Te\n0.666719 0.333394 0.524107 Te\n0.333300 0.666621 0.095295 Mo\n0.333341 0.666682 0.471366 Mo\n0.666650 0.333309 0.277791 W\n0.666702 0.333383 0.658438 W\n0.333358 0.666699 0.324254 Se\n0.666591 0.333233 0.049137 Se\n0.666664 0.333331 0.141507 Se\n0.333288 0.666605 0.231347 Se\n0.333395 0.666750 0.700676 S\n0.333348 0.666696 0.616153 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.673265038269282,
"density_atomic": 0.034315904655663955,
"volume": 349.6920777817629,
"volume_molar": 17.549124292155376,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.526861733333334,
"spacegroup": 156
},
{
"id": "jvasp-29119",
"created_at": "2022-09-04T14:37:08.816857Z",
"updated_at": "2022-09-04T14:37:08.816868Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.345557 0.000008 -0.000791\n-1.672772 2.897318 0.000778\n-0.008131 0.004188 33.624722\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.664906 0.331167 0.024869 Te\n0.665290 0.330733 0.137969 Te\n0.331749 0.664288 0.081351 Mo\n0.333150 0.665979 0.471504 Mo\n0.667038 0.334337 0.282762 W\n0.667993 0.335240 0.667281 W\n0.334914 0.668534 0.717060 Se\n0.666338 0.332961 0.421940 Se\n0.666667 0.332588 0.521073 Se\n0.334508 0.668776 0.617431 Se\n0.333809 0.667393 0.328122 S\n0.333654 0.668017 0.237388 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.086883623025406,
"density_atomic": 0.03681776131537535,
"volume": 325.92964838926036,
"volume_molar": 16.356618503811944,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.526921733333334,
"spacegroup": 156
},
{
"id": "jvasp-29003",
"created_at": "2022-09-04T14:37:45.144268Z",
"updated_at": "2022-09-04T14:37:45.144288Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.346311 -0.000000 0.000000\n-1.673156 2.897486 -0.004145\n0.000004 -0.049406 34.024368\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666175 0.332350 0.026484 Te\n0.668325 0.336650 0.138169 Te\n0.333859 0.667720 0.082261 Mo\n0.666699 0.333402 0.286815 Mo\n0.333259 0.666522 0.473152 W\n0.666152 0.332308 0.660662 W\n0.334152 0.668306 0.335802 Se\n0.333797 0.667598 0.709852 Se\n0.332530 0.665062 0.237819 Se\n0.331804 0.663613 0.611415 Se\n0.665990 0.331982 0.428346 S\n0.667244 0.334490 0.517973 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.013704090718572,
"density_atomic": 0.036375119937535984,
"volume": 329.89581946689435,
"volume_molar": 16.555658841376548,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5269717333333337,
"spacegroup": 156
},
{
"id": "jvasp-86156",
"created_at": "2022-09-04T14:37:40.670875Z",
"updated_at": "2022-09-04T14:37:40.670906Z",
"structure_string": "Sr3 B6 Rh8\n1.0\n5.330994 0.000000 1.735267\n2.665497 5.009000 0.867633\n0.002504 0.000000 9.048739\nSr B Rh\n3 6 8\ndirect\n0.316891 0.000000 0.366218 Sr\n0.500000 0.000000 0.000000 Sr\n0.683108 0.000000 0.633783 Sr\n0.333996 0.671069 0.660940 B\n0.666003 0.328931 0.339060 B\n0.835449 0.329102 0.000000 B\n0.005064 0.328931 0.660940 B\n0.994935 0.671069 0.339060 B\n0.164551 0.670898 -0.000000 B\n0.250000 0.500000 0.500000 Rh\n0.415744 0.500000 0.168512 Rh\n0.912701 0.000000 0.174598 Rh\n0.915744 0.500000 0.168512 Rh\n0.749999 0.500000 0.500000 Rh\n0.084255 0.500000 0.831488 Rh\n0.584255 0.500000 0.831489 Rh\n0.087298 0.000000 0.825403 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Sr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Sr",
"density": 7.910518218852743,
"density_atomic": 0.07036241793043728,
"volume": 241.60625089386195,
"volume_molar": 8.558746184580663,
"formula_full": "Sr3 B6 Rh8",
"formula_reduced": "Sr3(B3Rh4)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 3.5271234370588243,
"spacegroup": 69
},
{
"id": "jvasp-25500",
"created_at": "2022-09-04T14:38:14.380685Z",
"updated_at": "2022-09-04T14:38:14.380709Z",
"structure_string": "Lu4 B8 Ru4\n1.0\n5.245296 0.000000 0.000000\n0.000000 5.818954 0.000000\n0.000000 0.000000 6.297922\nLu B Ru\n4 8 4\ndirect\n0.250000 0.510919 0.664654 Lu\n0.750001 0.489081 0.335345 Lu\n0.250000 0.010919 0.835345 Lu\n0.750001 0.989080 0.164654 Lu\n0.915661 0.133326 0.534635 B\n0.415660 0.866674 0.465365 B\n0.584340 0.633325 0.965364 B\n0.084340 0.366674 0.034635 B\n0.084340 0.866674 0.465365 B\n0.915661 0.633325 0.965364 B\n0.415660 0.366674 0.034635 B\n0.584340 0.133326 0.534635 B\n0.750001 0.815884 0.682553 Ru\n0.750001 0.315885 0.817447 Ru\n0.250000 0.184115 0.317447 Ru\n0.250000 0.684115 0.182553 Ru\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Lu",
"B",
"Ru"
],
"chemical_system": "B-Lu-Ru",
"density": 10.285274915572318,
"density_atomic": 0.0832353442271573,
"volume": 192.22603268551944,
"volume_molar": 7.235076416053493,
"formula_full": "Lu4 B8 Ru4",
"formula_reduced": "LuB2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5274728541666667,
"spacegroup": 62
},
{
"id": "jvasp-28947",
"created_at": "2022-09-04T14:38:08.689394Z",
"updated_at": "2022-09-04T14:38:08.689411Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.348727 -0.000000 0.000002\n-1.674364 2.900075 0.000000\n0.000019 0.000015 37.947006\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333357 0.666712 0.331846 Te\n0.333355 0.666708 0.231654 Te\n0.333317 0.666631 0.469707 Mo\n0.666688 0.333374 0.281759 Mo\n0.333315 0.666627 0.093937 W\n0.666687 0.333373 0.657525 W\n0.333352 0.666701 0.701535 Se\n0.666648 0.333293 0.425774 Se\n0.666647 0.333292 0.513661 Se\n0.333355 0.666708 0.613334 Se\n0.666647 0.333291 0.053888 S\n0.666648 0.333292 0.134126 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.383347034944604,
"density_atomic": 0.032562276278893264,
"volume": 368.52460489005654,
"volume_molar": 18.494225368094206,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5276617333333338,
"spacegroup": 156
},
{
"id": "jvasp-28985",
"created_at": "2022-09-04T14:37:40.424455Z",
"updated_at": "2022-09-04T14:37:40.424481Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.346383 0.000000 0.000000\n-1.673191 2.898356 0.000886\n0.000000 0.011349 38.429389\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.667182 0.334365 0.420163 Te\n0.666771 0.333541 0.519055 Te\n0.333603 0.667206 0.469631 Mo\n0.667229 0.334458 0.280847 Mo\n0.333837 0.667675 0.093759 W\n0.665374 0.330747 0.658723 W\n0.333697 0.667395 0.324195 Se\n0.331793 0.663586 0.702155 Se\n0.334029 0.668061 0.237439 Se\n0.332096 0.664194 0.615137 Se\n0.667349 0.334699 0.054197 S\n0.667040 0.334082 0.133448 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.322651758983572,
"density_atomic": 0.032195148480548164,
"volume": 372.7269655939069,
"volume_molar": 18.705118765451537,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5281584000000006,
"spacegroup": 156
}
]
}