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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1515",
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"results": [
{
"id": "jvasp-62767",
"created_at": "2022-09-04T14:36:04.151084Z",
"updated_at": "2022-09-04T14:36:04.151107Z",
"structure_string": "Li4 B4 Ir4\n1.0\n0.000000 4.623038 5.257788\n3.081875 0.000000 5.257788\n3.081875 4.623038 0.000000\nLi B Ir\n4 4 4\ndirect\n0.500001 0.499999 0.499999 Li\n0.000001 0.499999 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.198445 0.051555 0.698444 B\n0.551556 0.698444 0.051555 B\n0.801557 0.948444 0.301554 B\n0.448446 0.301554 0.948444 B\n0.508548 0.008547 0.741452 Ir\n0.241453 0.741452 0.008547 Ir\n0.491454 0.991452 0.258546 Ir\n0.758549 0.258546 0.991452 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"Ir"
],
"chemical_system": "B-Ir-Li",
"density": 9.308693246001171,
"density_atomic": 0.08009505361046568,
"volume": 149.82198599130484,
"volume_molar": 7.518742404853215,
"formula_full": "Li4 B4 Ir4",
"formula_reduced": "LiBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7247478944444445,
"spacegroup": 70
},
{
"id": "jvasp-85913",
"created_at": "2022-09-04T14:35:46.853305Z",
"updated_at": "2022-09-04T14:35:46.853335Z",
"structure_string": "Li4 B4 Ir4\n1.0\n5.333691 -0.006469 -1.555629\n-2.674103 4.614917 -1.555629\n-0.003222 -0.005583 6.094405\nLi B Ir\n4 4 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.500001 Li\n0.000000 0.500000 0.000000 Li\n0.948432 0.051569 0.750001 B\n0.698431 0.301569 0.250000 B\n0.301570 0.698432 0.750001 B\n0.051570 0.948432 0.250000 B\n0.258542 0.008542 0.017084 Ir\n0.741459 0.991459 0.982917 Ir\n0.008543 0.258543 0.517085 Ir\n0.991459 0.741458 0.482916 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"Ir"
],
"chemical_system": "B-Ir-Li",
"density": 9.309261171802047,
"density_atomic": 0.08009994023056001,
"volume": 149.8128458705356,
"volume_molar": 7.5182837124045845,
"formula_full": "Li4 B4 Ir4",
"formula_reduced": "LiBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7247678944444447,
"spacegroup": 70
},
{
"id": "jvasp-86801",
"created_at": "2022-09-04T14:35:45.511911Z",
"updated_at": "2022-09-04T14:35:45.511936Z",
"structure_string": "Mg6 B6 Ir6\n1.0\n5.298401 0.000000 0.000000\n-2.649201 4.588550 -0.000000\n0.000000 -0.000000 9.514566\nMg B Ir\n6 6 6\ndirect\n0.000000 0.500000 0.666667 Mg\n0.000000 0.000000 0.833333 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.166667 Mg\n0.500000 0.500000 0.333333 Mg\n0.500000 -0.000000 0.000000 Mg\n0.397711 0.795422 0.500000 B\n0.397711 0.602289 0.833333 B\n0.795422 0.397711 0.166667 B\n0.602289 0.397711 0.833333 B\n0.602289 0.204578 0.500000 B\n0.204578 0.602289 0.166667 B\n0.500000 0.500000 0.045537 Ir\n0.500000 -0.000000 0.712204 Ir\n0.500000 0.500000 0.621129 Ir\n0.500000 -0.000000 0.287796 Ir\n0.000000 0.500000 0.378871 Ir\n0.000000 0.500000 0.954464 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg",
"density": 9.791597561558195,
"density_atomic": 0.07781498348416693,
"volume": 231.31791840144092,
"volume_molar": 7.739050360687063,
"formula_full": "Mg6 B6 Ir6",
"formula_reduced": "MgBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.287517577777778,
"spacegroup": 180
},
{
"id": "jvasp-109390",
"created_at": "2022-09-04T14:38:20.295668Z",
"updated_at": "2022-09-04T14:38:20.295678Z",
"structure_string": "Mg4 B3 Ir2\n1.0\n4.570125 -0.001686 1.840882\n2.027780 4.095626 1.840882\n0.041305 0.025630 6.920474\nMg B Ir\n4 3 2\ndirect\n0.288054 0.325819 0.842225 Mg\n0.674181 0.711946 0.157774 Mg\n0.284783 0.322539 0.360014 Mg\n0.677461 0.715218 0.639984 Mg\n0.654130 0.345869 -0.000000 B\n0.308077 0.691923 -0.000000 B\n0.981095 0.018904 0.500000 B\n0.995616 0.033397 0.780651 Ir\n0.966602 0.004384 0.219348 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg",
"density": 6.611059333381744,
"density_atomic": 0.069699208310822,
"volume": 129.1262873441074,
"volume_molar": 8.640185313360236,
"formula_full": "Mg4 B3 Ir2",
"formula_reduced": "Mg4B3Ir2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.489421794444444,
"spacegroup": 12
},
{
"id": "jvasp-86199",
"created_at": "2022-09-04T14:36:08.305907Z",
"updated_at": "2022-09-04T14:36:08.305936Z",
"structure_string": "Mg6 B6 Ir6\n1.0\n5.298240 -0.000000 0.000000\n-2.649121 4.588411 -0.000000\n0.000000 0.000000 9.514322\nMg B Ir\n6 6 6\ndirect\n0.000000 0.500000 0.666667 Mg\n0.000000 0.000000 0.833333 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.166667 Mg\n0.500000 0.500000 0.333333 Mg\n0.500000 0.000000 0.000000 Mg\n0.397718 0.795436 0.500000 B\n0.397718 0.602282 0.833333 B\n0.795436 0.397717 0.166667 B\n0.602283 0.397717 0.833333 B\n0.602283 0.204564 0.500000 B\n0.204564 0.602282 0.166667 B\n0.500000 0.500000 0.045542 Ir\n0.500000 0.000000 0.712209 Ir\n0.500000 0.500000 0.621124 Ir\n0.500000 0.000000 0.287791 Ir\n0.000000 0.500000 0.378876 Ir\n0.000000 0.500000 0.954458 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg",
"density": 9.792442862202686,
"density_atomic": 0.07782170118832876,
"volume": 231.29795063770123,
"volume_molar": 7.738382312443158,
"formula_full": "Mg6 B6 Ir6",
"formula_reduced": "MgBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.287517577777778,
"spacegroup": 180
},
{
"id": "jvasp-62846",
"created_at": "2022-09-04T14:35:49.794524Z",
"updated_at": "2022-09-04T14:35:49.794547Z",
"structure_string": "Mg6 B6 Ir6\n1.0\n2.649107 -4.588387 0.000000\n2.649107 4.588387 0.000000\n0.000000 0.000000 9.514716\nMg B Ir\n6 6 6\ndirect\n0.000000 0.000000 0.333333 Mg\n0.000000 0.000000 0.666667 Mg\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.833333 Mg\n0.000000 0.500000 0.166667 Mg\n0.500000 0.000000 0.500000 Mg\n0.397717 0.795434 0.000000 B\n0.204567 0.602285 0.666667 B\n0.397717 0.602285 0.333333 B\n0.602285 0.204567 0.000000 B\n0.795434 0.397717 0.666667 B\n0.602285 0.397717 0.333333 B\n0.500001 0.500001 0.545541 Ir\n0.000000 0.500000 0.878875 Ir\n0.500000 0.000000 0.212207 Ir\n0.000000 0.500000 0.454460 Ir\n0.500001 0.500001 0.121126 Ir\n0.500000 0.000000 0.787793 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg",
"density": 9.792136632709566,
"density_atomic": 0.07781926754634136,
"volume": 231.30518401861087,
"volume_molar": 7.738624314876541,
"formula_full": "Mg6 B6 Ir6",
"formula_reduced": "MgBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.287534244444444,
"spacegroup": 180
},
{
"id": "jvasp-23755",
"created_at": "2022-09-04T14:37:34.223439Z",
"updated_at": "2022-09-04T14:37:34.223465Z",
"structure_string": "Mg4 Si2 B4 Ir10\n1.0\n9.420489 0.000000 0.000000\n-0.000000 9.420489 -0.000000\n-0.000000 -0.000000 2.919934\nMg Si B Ir\n4 2 4 10\ndirect\n0.674908 0.825092 0.000000 Mg\n0.825092 0.325092 0.000000 Mg\n0.174908 0.674908 0.000000 Mg\n0.325092 0.174908 0.000000 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.873972 0.626028 0.000000 B\n0.626028 0.126028 0.000000 B\n0.373972 0.873972 0.000000 B\n0.126028 0.373972 0.000000 B\n0.927517 0.790732 0.499999 Ir\n0.500000 0.000000 0.499999 Ir\n0.572483 0.290732 0.499999 Ir\n0.709269 0.572483 0.499999 Ir\n0.290732 0.427517 0.499999 Ir\n0.209268 0.927517 0.499999 Ir\n0.000000 0.500000 0.499999 Ir\n0.072483 0.209268 0.499999 Ir\n0.790732 0.072483 0.499999 Ir\n0.427517 0.709269 0.499999 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Si",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg-Si",
"density": 13.57751083093783,
"density_atomic": 0.0771809405986758,
"volume": 259.1313327469754,
"volume_molar": 7.802626805643415,
"formula_full": "Mg4 Si2 B4 Ir10",
"formula_reduced": "Mg2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 3.9580087366666663,
"spacegroup": 127
},
{
"id": "jvasp-41267",
"created_at": "2022-09-04T14:37:46.019877Z",
"updated_at": "2022-09-04T14:37:46.019899Z",
"structure_string": "Mg4 Zn2 B4 Ir10\n1.0\n9.477088 -0.000000 0.000000\n-0.000000 9.477088 0.000000\n-0.000000 -0.000000 2.946166\nMg Zn B Ir\n4 2 4 10\ndirect\n0.676606 0.176606 0.000000 Mg\n0.323394 0.823394 0.000000 Mg\n0.176606 0.323394 0.000000 Mg\n0.823394 0.676606 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.372621 0.127380 0.000000 B\n0.627380 0.872621 0.000000 B\n0.872621 0.372621 0.000000 B\n0.127380 0.627380 0.000000 B\n0.000000 0.500000 0.500001 Ir\n0.784692 0.929338 0.500001 Ir\n0.215308 0.070663 0.500001 Ir\n0.284692 0.570663 0.500001 Ir\n0.715308 0.429337 0.500001 Ir\n0.570663 0.715308 0.500001 Ir\n0.429337 0.284692 0.500001 Ir\n0.929338 0.215308 0.500001 Ir\n0.070663 0.784692 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Zn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg-Zn",
"density": 13.76480909858309,
"density_atomic": 0.07558279639111531,
"volume": 264.6104795661011,
"volume_molar": 7.9676077725908225,
"formula_full": "Mg4 Zn2 B4 Ir10",
"formula_reduced": "Mg2ZnB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 3.405042916666667,
"spacegroup": 127
},
{
"id": "jvasp-102805",
"created_at": "2022-09-04T14:37:08.097431Z",
"updated_at": "2022-09-04T14:37:08.097457Z",
"structure_string": "B4 Mo1 Ir1\n1.0\n2.958798 0.000000 0.000000\n-1.479400 2.562394 0.000000\n-0.000000 -0.000000 7.513638\nB Mo Ir\n4 1 1\ndirect\n0.333333 0.666666 0.204995 B\n0.000000 0.000000 0.293607 B\n0.000000 0.000000 0.706394 B\n0.333333 0.666666 0.795005 B\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666666 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 9.66031792589191,
"density_atomic": 0.10532701052110882,
"volume": 56.96544476402401,
"volume_molar": 5.7175654470826265,
"formula_full": "B4 Mo1 Ir1",
"formula_reduced": "B4MoIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.235594555555556,
"spacegroup": 187
},
{
"id": "jvasp-59654",
"created_at": "2022-09-04T14:37:29.176018Z",
"updated_at": "2022-09-04T14:37:29.176045Z",
"structure_string": "B8 Mo8 Ir4\n1.0\n3.267868 0.000000 0.000000\n0.000000 7.404902 0.000000\n0.000000 0.000000 9.434566\nB Mo Ir\n8 8 4\ndirect\n0.500000 0.123997 0.263485 B\n0.000000 0.614954 0.041044 B\n0.000000 0.385046 0.958957 B\n0.000000 0.376003 0.763485 B\n0.500000 0.114954 0.458957 B\n0.000000 0.623997 0.236515 B\n0.500000 0.876003 0.736515 B\n0.500000 0.885046 0.541044 B\n0.000000 0.926922 0.361729 Mo\n0.500000 0.573078 0.861729 Mo\n0.000000 0.310114 0.369571 Mo\n0.500000 0.189886 0.869571 Mo\n0.000000 0.073078 0.638271 Mo\n0.000000 0.689886 0.630430 Mo\n0.500000 0.426922 0.138271 Mo\n0.500000 0.810114 0.130429 Mo\n0.000000 0.879280 0.888840 Ir\n0.500000 0.620720 0.388839 Ir\n0.000000 0.120720 0.111161 Ir\n0.500000 0.379280 0.611161 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 11.803986044129669,
"density_atomic": 0.08760406280133538,
"volume": 228.29991395895777,
"volume_molar": 6.874271086783664,
"formula_full": "B8 Mo8 Ir4",
"formula_reduced": "B2Mo2Ir",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.3692496133333325,
"spacegroup": 58
},
{
"id": "jvasp-22430",
"created_at": "2022-09-04T14:37:53.113687Z",
"updated_at": "2022-09-04T14:37:53.113697Z",
"structure_string": "Nd2 B8 Ir8\n1.0\n7.739916 0.000000 0.000000\n-0.000000 7.739916 -0.000000\n0.000000 0.000000 3.973823\nNd B Ir\n2 8 8\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.777215 0.342336 0.392353 B\n0.842337 0.722786 0.892353 B\n0.342336 0.222786 0.607646 B\n0.222786 0.657664 0.392353 B\n0.277214 0.842337 0.107647 B\n0.157664 0.277214 0.892353 B\n0.657664 0.777215 0.607646 B\n0.722786 0.157664 0.107647 B\n0.891998 0.338851 0.891639 Ir\n0.338851 0.108003 0.108360 Ir\n0.661149 0.891998 0.108360 Ir\n0.608003 0.161149 0.608360 Ir\n0.108003 0.661149 0.891639 Ir\n0.161149 0.391997 0.391640 Ir\n0.838851 0.608003 0.391640 Ir\n0.391997 0.838851 0.608360 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"B",
"Ir"
],
"chemical_system": "B-Ir-Nd",
"density": 13.341871636533119,
"density_atomic": 0.07561213329200073,
"volume": 238.05703154131592,
"volume_molar": 7.964516404719802,
"formula_full": "Nd2 B8 Ir8",
"formula_reduced": "Nd(BIr)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.942078470370369,
"spacegroup": 86
},
{
"id": "jvasp-87988",
"created_at": "2022-09-04T14:36:07.542754Z",
"updated_at": "2022-09-04T14:36:07.542779Z",
"structure_string": "B4 Pd4 Ir4\n1.0\n5.245237 0.002768 -1.832695\n-2.249250 4.738501 -1.832695\n0.000790 0.001252 6.125853\nB Pd Ir\n4 4 4\ndirect\n0.055441 0.935006 0.527146 B\n0.685007 0.305442 0.027147 B\n0.407861 0.528297 0.472855 B\n0.278297 0.657860 0.972854 B\n0.934531 0.109907 0.228638 Pd\n0.455895 0.131270 0.271364 Pd\n0.859908 0.184530 0.728638 Pd\n0.881271 0.705894 0.771363 Pd\n0.104808 0.627586 0.233897 Ir\n0.377586 0.354808 0.733896 Ir\n0.620912 0.643688 0.266105 Ir\n0.393688 0.870911 0.766104 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"B",
"Pd",
"Ir"
],
"chemical_system": "B-Ir-Pd",
"density": 13.494187632145968,
"density_atomic": 0.07878276549602892,
"volume": 152.31757763828264,
"volume_molar": 7.643982439666387,
"formula_full": "B4 Pd4 Ir4",
"formula_reduced": "BIrPd",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1032231277777784,
"spacegroup": 43
}
]
}