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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1246",
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"results": [
{
"id": "jvasp-30632",
"created_at": "2022-09-04T14:37:19.673140Z",
"updated_at": "2022-09-04T14:37:19.673158Z",
"structure_string": "Sb2 N2\n1.0\n3.279299 0.020000 -0.468095\n-0.033001 4.003505 -0.059568\n-0.831380 0.080066 5.818482\nSb N\n2 2\ndirect\n0.264084 0.785108 0.033376 Sb\n0.980569 0.285079 0.469272 Sb\n0.438414 0.978108 0.384364 N\n0.806230 0.478126 0.118286 N\n",
"nsites": 4,
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"elements": [
"Sb",
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],
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"density": 6.023719039390771,
"density_atomic": 0.05343826426721621,
"volume": 74.85273062010654,
"volume_molar": 11.26934200161609,
"formula_full": "Sb2 N2",
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"spacegroup": 36
},
{
"id": "jvasp-8329",
"created_at": "2022-09-04T14:37:17.637832Z",
"updated_at": "2022-09-04T14:37:17.637852Z",
"structure_string": "Sb2 N2\n1.0\n3.285695 0.011671 -0.420773\n-0.008451 4.003879 0.046688\n-0.896975 -0.069555 5.804585\nSb N\n2 2\ndirect\n0.734697 0.785093 0.966598 Sb\n0.020677 0.285096 0.530744 Sb\n0.562346 0.978118 0.615670 N\n0.192991 0.478107 0.881687 N\n",
"nsites": 4,
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"elements": [
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"volume": 74.86171517277596,
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"formula_full": "Sb2 N2",
"formula_reduced": "SbN",
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"spacegroup": 36
},
{
"id": "jvasp-8241",
"created_at": "2022-09-04T14:36:40.127049Z",
"updated_at": "2022-09-04T14:36:40.127071Z",
"structure_string": "Sb1 N1\n1.0\n3.081760 0.000000 0.000000\n0.000000 3.081760 0.000000\n-0.000000 0.000000 3.081760\nSb N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"N"
],
"chemical_system": "N-Sb",
"density": 7.702752041657049,
"density_atomic": 0.06833348243754397,
"volume": 29.26822881927578,
"volume_molar": 8.812869687278367,
"formula_full": "Sb1 N1",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy_above_hull": 2.914664675,
"spacegroup": 221
},
{
"id": "jvasp-102243",
"created_at": "2022-09-04T14:36:43.160002Z",
"updated_at": "2022-09-04T14:36:43.160013Z",
"structure_string": "Sb4 N4\n1.0\n5.406454 0.000000 0.000000\n0.000000 5.736278 0.000000\n0.000000 0.000000 5.085867\nSb N\n4 4\ndirect\n0.533779 0.790125 0.169674 Sb\n0.466220 0.209875 0.669674 Sb\n0.966220 0.790125 0.669674 Sb\n0.033780 0.209875 0.169674 Sb\n0.603742 0.878357 0.563447 N\n0.396257 0.121644 0.063446 N\n0.896257 0.878357 0.063446 N\n0.103743 0.121644 0.563447 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"N"
],
"chemical_system": "N-Sb",
"density": 5.717348286971377,
"density_atomic": 0.05072035509441566,
"volume": 157.72760236216888,
"volume_molar": 11.873222789528619,
"formula_full": "Sb4 N4",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy_above_hull": 2.398239675,
"spacegroup": 29
},
{
"id": "jvasp-97980",
"created_at": "2022-09-04T14:36:16.760758Z",
"updated_at": "2022-09-04T14:36:16.760784Z",
"structure_string": "Sb2 Mo4 S4\n1.0\n3.219211 0.000000 0.000000\n0.000000 6.308482 -1.758556\n0.000000 0.002335 9.498516\nSb Mo S\n2 4 4\ndirect\n0.750000 0.003309 0.662718 Sb\n0.250000 0.996690 0.337281 Sb\n0.750000 0.105064 0.113363 Mo\n0.750000 0.339032 0.520309 Mo\n0.250000 0.894935 0.886637 Mo\n0.250000 0.660967 0.479690 Mo\n0.250000 0.266441 0.992087 S\n0.250000 0.525125 0.690838 S\n0.750000 0.733557 0.007913 S\n0.750000 0.474874 0.309162 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sb",
"density": 6.5034937840616776,
"density_atomic": 0.0518370371031832,
"volume": 192.91226039973495,
"volume_molar": 11.617447864569778,
"formula_full": "Sb2 Mo4 S4",
"formula_reduced": "Sb(MoS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.58478158,
"spacegroup": 11
},
{
"id": "jvasp-111619",
"created_at": "2022-09-04T14:38:37.204162Z",
"updated_at": "2022-09-04T14:38:37.204175Z",
"structure_string": "Sb1 Mo6 S8\n1.0\n6.535687 0.009603 -0.022999\n-0.023114 6.535653 -0.022999\n0.009555 0.009603 6.535720\nSb Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sb\n0.775128 0.583352 0.440321 Mo\n0.440322 0.775127 0.583352 Mo\n0.583353 0.440321 0.775128 Mo\n0.224872 0.416647 0.559678 Mo\n0.559679 0.224872 0.416647 Mo\n0.416648 0.559678 0.224872 Mo\n0.762344 0.762343 0.762344 S\n0.237656 0.237656 0.237656 S\n0.256135 0.627210 0.872772 S\n0.872773 0.256135 0.627211 S\n0.627212 0.872772 0.256135 S\n0.743865 0.372788 0.127227 S\n0.127228 0.743864 0.372789 S\n0.372788 0.127227 0.743864 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sb",
"density": 5.673886465378829,
"density_atomic": 0.05372925868402734,
"volume": 279.1774978361875,
"volume_molar": 11.208307926627445,
"formula_full": "Sb1 Mo6 S8",
"formula_reduced": "Sb(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.318884766666667,
"spacegroup": 148
},
{
"id": "jvasp-31822",
"created_at": "2022-09-04T14:37:04.274298Z",
"updated_at": "2022-09-04T14:37:04.274317Z",
"structure_string": "Sb2 Kr6 F22\n1.0\n7.136516 -0.068229 3.511253\n-0.338832 7.952100 2.999912\n-0.065096 0.014342 8.976062\nSb Kr F\n2 6 22\ndirect\n0.292329 0.678139 0.780504 Sb\n0.707671 0.321861 0.219495 Sb\n0.807686 0.854689 0.712179 Kr\n0.192314 0.145311 0.287820 Kr\n0.227146 0.164517 0.778034 Kr\n0.772855 0.835483 0.221966 Kr\n0.693602 0.330389 0.726750 Kr\n0.306398 0.669610 0.273249 Kr\n0.128549 0.555215 0.260792 F\n0.871452 0.444785 0.739207 F\n0.774789 0.444895 0.330666 F\n0.225211 0.555105 0.669334 F\n0.484266 0.799669 0.312017 F\n0.515734 0.200331 0.687982 F\n0.669043 0.530523 0.063622 F\n0.024065 0.893130 0.148662 F\n0.036673 0.681651 0.939788 F\n0.632586 0.198304 0.113601 F\n0.367414 0.801696 0.886399 F\n0.448735 0.317630 0.380838 F\n0.551265 0.682369 0.619161 F\n0.261661 0.887625 0.619065 F\n0.738339 0.112374 0.380934 F\n0.674294 0.927796 0.915059 F\n0.325706 0.072204 0.084940 F\n0.946465 0.790710 0.504324 F\n0.053535 0.209289 0.495675 F\n0.975935 0.106870 0.851337 F\n0.963327 0.318348 0.060212 F\n0.330957 0.469477 0.936377 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sb",
"Kr",
"F"
],
"chemical_system": "F-Kr-Sb",
"density": 3.7856775266725387,
"density_atomic": 0.05874365930463531,
"volume": 510.69341534249264,
"volume_molar": 10.25155877465878,
"formula_full": "Sb2 Kr6 F22",
"formula_reduced": "SbKr3F11",
"formula_anonymous": "AB3C11",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-10264",
"created_at": "2022-09-04T14:38:33.285090Z",
"updated_at": "2022-09-04T14:38:33.285118Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.119374 0.000000 -0.000000\n0.000000 6.119374 0.000000\n-0.000000 -0.000000 6.119374\nSb Ir S\n4 4 4\ndirect\n0.376699 0.376699 0.376699 Sb\n0.123301 0.623301 0.876698 Sb\n0.876698 0.123301 0.623301 Sb\n0.623301 0.876698 0.123301 Sb\n0.987465 0.512533 0.487466 Ir\n0.512533 0.487466 0.987465 Ir\n0.487466 0.987465 0.512533 Ir\n0.012534 0.012534 0.012534 Ir\n0.383312 0.116688 0.883312 S\n0.116688 0.883312 0.383312 S\n0.883312 0.383312 0.116688 S\n0.616687 0.616687 0.616687 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Ir",
"S"
],
"chemical_system": "Ir-S-Sb",
"density": 10.030369026091162,
"density_atomic": 0.05236730874062065,
"volume": 229.15059583139802,
"volume_molar": 11.499809527787901,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.235549066666666,
"spacegroup": 198
},
{
"id": "jvasp-87331",
"created_at": "2022-09-04T14:35:54.864760Z",
"updated_at": "2022-09-04T14:35:54.864790Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.126271 0.000000 0.000000\n0.000000 6.109322 0.000000\n0.000000 0.000000 6.128390\nSb Ir S\n4 4 4\ndirect\n0.379572 0.634027 0.382003 Sb\n0.620427 0.365972 0.882003 Sb\n0.120428 0.634027 0.882003 Sb\n0.879572 0.365972 0.382003 Sb\n0.510151 0.766095 0.999456 Ir\n0.489849 0.233905 0.499456 Ir\n0.989849 0.766095 0.499456 Ir\n0.010151 0.233905 0.999456 Ir\n0.118351 0.126283 0.620742 S\n0.881649 0.873717 0.120742 S\n0.381649 0.126283 0.120742 S\n0.618351 0.873717 0.620742 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ir",
"S"
],
"chemical_system": "Ir-S-Sb",
"density": 10.020797521436938,
"density_atomic": 0.05231733710567521,
"volume": 229.3694722222068,
"volume_molar": 11.510793731408663,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2374524,
"spacegroup": 29
},
{
"id": "jvasp-15889",
"created_at": "2022-09-04T14:37:55.516674Z",
"updated_at": "2022-09-04T14:37:55.516702Z",
"structure_string": "Sb2 Ir2\n1.0\n2.035282 -3.525212 0.000000\n2.035282 3.525212 0.000000\n0.000000 -0.000000 5.621321\nSb Ir\n2 2\ndirect\n0.666666 0.333333 0.250000 Sb\n0.333333 0.666666 0.750000 Sb\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ir"
],
"chemical_system": "Ir-Sb",
"density": 12.927028774059252,
"density_atomic": 0.04958859210251565,
"volume": 80.66371377777185,
"volume_molar": 12.144205964852334,
"formula_full": "Sb2 Ir2",
"formula_reduced": "SbIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.9975136,
"spacegroup": 194
},
{
"id": "jvasp-115111",
"created_at": "2022-09-04T14:38:44.818009Z",
"updated_at": "2022-09-04T14:38:44.818025Z",
"structure_string": "Sb1 I1 O2\n1.0\n4.075609 -0.000000 0.000000\n-0.000000 4.075609 0.000000\n-0.000000 -0.000000 4.730322\nSb I O\n1 1 2\ndirect\n0.500001 0.500001 0.473133 Sb\n0.000000 0.000000 0.043880 I\n0.000000 0.000000 0.627246 O\n0.500001 0.500001 0.865740 O\n",
"nsites": 4,
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"elements": [
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"I",
"O"
],
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"density": 5.931423702162491,
"density_atomic": 0.05090779203700842,
"volume": 78.57343325933526,
"volume_molar": 11.829506877104564,
"formula_full": "Sb1 I1 O2",
"formula_reduced": "SbIO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4472498437500003,
"spacegroup": 99
},
{
"id": "jvasp-115112",
"created_at": "2022-09-04T14:38:42.884536Z",
"updated_at": "2022-09-04T14:38:42.884556Z",
"structure_string": "Sb1 I1 O1\n1.0\n3.285318 0.000000 -0.000000\n0.000000 3.285318 0.000000\n-0.000000 -0.000000 7.367240\nSb I O\n1 1 1\ndirect\n0.000000 0.000000 0.584245 Sb\n0.000000 0.000000 0.019117 I\n0.000000 0.000000 0.319593 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.526931879034404,
"density_atomic": 0.03772781123238926,
"volume": 79.51693729384718,
"volume_molar": 15.962072972921373,
"formula_full": "Sb1 I1 O1",
"formula_reduced": "SbIO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0995219583333335,
"spacegroup": 99
}
]
}