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=formula_reduced&page=365",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=363",
"results": [
{
"id": "jvasp-52874",
"created_at": "2022-09-04T14:37:06.351986Z",
"updated_at": "2022-09-04T14:37:06.352010Z",
"structure_string": "Ba2 H8 Br4 O4\n1.0\n4.828167 3.545454 -2.090145\n-4.828167 3.545454 2.090145\n-0.007890 0.000000 8.367172\nBa H Br O\n2 8 4 4\ndirect\n0.899191 0.899191 0.750000 Ba\n0.100808 0.100808 0.250000 Ba\n0.604941 0.753266 0.368133 H\n0.395058 0.246733 0.631867 H\n0.246733 0.395058 0.868132 H\n0.753266 0.604941 0.131867 H\n0.590354 0.767336 0.049572 H\n0.232663 0.409645 0.549572 H\n0.409645 0.232663 0.950428 H\n0.767336 0.590354 0.450428 H\n0.741728 0.304926 0.852481 Br\n0.304926 0.741728 0.647519 Br\n0.258271 0.695073 0.147519 Br\n0.695073 0.258271 0.352481 Br\n0.748509 0.762709 0.058287 O\n0.251490 0.237290 0.941712 O\n0.237290 0.251490 0.558287 O\n0.762709 0.748509 0.441712 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"H",
"Br",
"O"
],
"chemical_system": "Ba-Br-H-O",
"density": 3.864147419711865,
"density_atomic": 0.0628618267693806,
"volume": 286.3422990559293,
"volume_molar": 9.579964613649006,
"formula_full": "Ba2 H8 Br4 O4",
"formula_reduced": "BaH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.768442353333333,
"spacegroup": 15
},
{
"id": "jvasp-12591",
"created_at": "2022-09-04T14:38:33.512446Z",
"updated_at": "2022-09-04T14:38:33.512461Z",
"structure_string": "Ba2 H8 I4 O4\n1.0\n6.371197 0.049195 2.167323\n1.861611 6.093355 2.167323\n-0.011236 -0.008384 8.623284\nBa H I O\n2 8 4 4\ndirect\n0.595868 0.404132 0.250000 Ba\n0.404132 0.595867 0.749999 Ba\n0.879623 0.285551 0.546092 H\n0.714448 0.120377 0.953907 H\n0.285552 0.879622 0.046092 H\n0.271697 0.868214 0.376399 H\n0.868215 0.271696 0.876398 H\n0.728303 0.131785 0.623600 H\n0.131785 0.728303 0.123601 H\n0.120377 0.714448 0.453907 H\n0.807374 0.769632 0.849973 I\n0.230367 0.192626 0.650026 I\n0.769633 0.807373 0.349973 I\n0.192626 0.230367 0.150026 I\n0.270762 0.717532 0.442849 O\n0.717532 0.270762 0.942849 O\n0.729238 0.282467 0.557150 O\n0.282468 0.729237 0.057150 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"H",
"I",
"O"
],
"chemical_system": "Ba-H-I-O",
"density": 4.244767908371569,
"density_atomic": 0.053857994158999896,
"volume": 334.21222385037754,
"volume_molar": 11.181516976331126,
"formula_full": "Ba2 H8 I4 O4",
"formula_reduced": "BaH4(IO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7219806133333333,
"spacegroup": 15
},
{
"id": "jvasp-51016",
"created_at": "2022-09-04T14:37:20.088670Z",
"updated_at": "2022-09-04T14:37:20.088701Z",
"structure_string": "Ba2 H8 O6\n1.0\n0.000000 3.994171 -0.028831\n5.784386 0.000000 0.000000\n0.000000 -0.051976 -7.171507\nBa H O\n2 8 6\ndirect\n-0.000009 0.193666 0.683432 Ba\n0.000008 0.693666 0.316568 Ba\n0.799172 0.205347 0.125621 H\n0.200806 0.205341 0.125602 H\n0.200826 0.705347 0.874379 H\n0.799193 0.705342 0.874398 H\n0.499991 0.407586 -0.022642 H\n0.500009 0.907587 0.022642 H\n0.500080 0.596636 0.592326 H\n0.499919 0.096636 0.407674 H\n0.000007 0.194515 0.212842 O\n-0.000008 0.694515 0.787158 O\n0.499985 0.237754 0.967814 O\n0.500013 0.737755 0.032186 O\n0.500022 0.455789 0.516515 O\n0.499977 0.955790 0.483486 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.795275432689928,
"density_atomic": 0.09656125821423026,
"volume": 165.69792374186437,
"volume_molar": 6.236601377582832,
"formula_full": "Ba2 H8 O6",
"formula_reduced": "BaH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.31923580875,
"spacegroup": 26
},
{
"id": "jvasp-51019",
"created_at": "2022-09-04T14:37:28.808516Z",
"updated_at": "2022-09-04T14:37:28.808539Z",
"structure_string": "Ba2 H8 O6\n1.0\n0.000000 6.280276 0.196795\n4.181743 0.000000 0.000000\n0.000000 -2.633479 -6.637349\nBa H O\n2 8 6\ndirect\n0.863064 0.250000 0.712909 Ba\n0.136936 0.749999 0.287090 Ba\n0.617932 0.749999 0.890011 H\n0.382069 0.250000 0.109988 H\n0.247777 0.749999 0.867640 H\n0.752223 0.250000 0.132359 H\n0.673959 0.557039 0.325134 H\n0.673959 0.942960 0.325134 H\n0.326041 0.442961 0.674866 H\n0.326041 0.057039 0.674866 H\n0.617948 0.749999 0.380900 O\n0.382052 0.250000 0.619100 O\n0.783764 0.749999 0.919963 O\n0.216236 0.250000 0.080037 O\n0.197438 0.749999 0.718950 O\n0.802562 0.250000 0.281049 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.6531121547772947,
"density_atomic": 0.09294427040120777,
"volume": 172.14616813853743,
"volume_molar": 6.479302848905623,
"formula_full": "Ba2 H8 O6",
"formula_reduced": "BaH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.31885455875,
"spacegroup": 11
},
{
"id": "jvasp-51022",
"created_at": "2022-09-04T14:36:48.992956Z",
"updated_at": "2022-09-04T14:36:48.992973Z",
"structure_string": "Ba2 H8 O6\n1.0\n4.163516 -0.017239 0.131729\n0.063455 6.250887 0.107903\n0.275189 2.429999 6.566758\nBa H O\n2 8 6\ndirect\n0.732343 0.137205 0.709716 Ba\n0.274021 0.852819 0.286509 Ba\n0.248273 0.378915 0.902179 H\n0.758102 0.611089 0.094081 H\n0.150479 0.767917 0.858999 H\n0.855863 0.222098 0.137228 H\n0.467182 0.316864 0.318353 H\n0.078015 0.321105 0.326672 H\n0.928313 0.668922 0.669556 H\n0.539150 0.673153 0.677887 H\n0.270234 0.377596 0.378573 O\n0.736087 0.612425 0.617668 O\n0.202827 0.216861 0.929237 O\n0.803509 0.773156 0.066993 O\n0.234132 0.806841 0.714492 O\n0.772193 0.183200 0.281730 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.7076722368534973,
"density_atomic": 0.09433241475778634,
"volume": 169.61295903515855,
"volume_molar": 6.383956962686491,
"formula_full": "Ba2 H8 O6",
"formula_reduced": "BaH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.31864705875,
"spacegroup": 2
},
{
"id": "jvasp-12575",
"created_at": "2022-09-04T14:36:54.415119Z",
"updated_at": "2022-09-04T14:36:54.415143Z",
"structure_string": "Ba2 H8 O6\n1.0\n3.944513 0.000000 0.000000\n0.000000 6.322099 0.000000\n0.000000 0.000000 6.902918\nBa H O\n2 8 6\ndirect\n0.000000 0.646632 0.752986 Ba\n0.000000 0.353368 0.252986 Ba\n0.500000 0.302970 0.610984 H\n0.500000 0.697030 0.110984 H\n0.500000 0.984558 0.582358 H\n0.500000 0.015442 0.082358 H\n0.202197 0.124985 0.810262 H\n0.797802 0.875015 0.310262 H\n0.202197 0.875015 0.310262 H\n0.797802 0.124985 0.810262 H\n0.000000 0.205334 0.864805 O\n0.500000 0.564924 0.036596 O\n0.500000 0.971638 0.723649 O\n0.500000 0.028362 0.223648 O\n0.000000 0.794666 0.364805 O\n0.500000 0.435076 0.536596 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.653195948555265,
"density_atomic": 0.09294640232358728,
"volume": 172.14221960196983,
"volume_molar": 6.4791542323868345,
"formula_full": "Ba2 H8 O6",
"formula_reduced": "BaH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.31836705875,
"spacegroup": 26
},
{
"id": "jvasp-51702",
"created_at": "2022-09-04T14:38:28.101020Z",
"updated_at": "2022-09-04T14:38:28.101042Z",
"structure_string": "Ba2 H10 Br2 O6\n1.0\n4.596794 0.000000 -0.000000\n0.000000 4.596794 -0.000000\n0.000000 -0.000000 11.729607\nBa H Br O\n2 10 2 6\ndirect\n0.500000 0.000000 0.808873 Ba\n0.000000 0.500000 0.191128 Ba\n0.500000 0.000000 0.518479 H\n0.000000 0.500000 0.481521 H\n0.500000 0.319389 0.379276 H\n0.180611 0.000000 0.379276 H\n0.500000 0.680610 0.379276 H\n0.000000 0.819389 0.620724 H\n0.000000 0.180611 0.620724 H\n0.319389 0.500000 0.620724 H\n0.680610 0.500000 0.620724 H\n0.819389 0.000000 0.379276 H\n0.000000 0.500000 0.902754 Br\n0.500000 0.000000 0.097246 Br\n0.000000 0.500000 0.564555 O\n0.500000 0.500000 0.671298 O\n0.000000 0.000000 0.671298 O\n0.000000 0.000000 0.328702 O\n0.500000 0.500000 0.328702 O\n0.500000 0.000000 0.435446 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"H",
"Br",
"O"
],
"chemical_system": "Ba-Br-H-O",
"density": 3.621442735677527,
"density_atomic": 0.08069310940350966,
"volume": 247.85263757762846,
"volume_molar": 7.463017356148719,
"formula_full": "Ba2 H10 Br2 O6",
"formula_reduced": "BaH5BrO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.2208500575,
"spacegroup": 129
},
{
"id": "jvasp-51701",
"created_at": "2022-09-04T14:38:26.789838Z",
"updated_at": "2022-09-04T14:38:26.789867Z",
"structure_string": "Ba2 H10 Cl2 O6\n1.0\n4.532074 -0.000000 -0.000000\n0.000000 4.532074 0.000000\n0.000000 -0.000000 11.476453\nBa H Cl O\n2 10 2 6\ndirect\n0.500000 0.000000 0.818969 Ba\n0.000000 0.500000 0.181031 Ba\n0.500000 0.000000 0.519949 H\n0.000000 0.500000 0.480051 H\n0.500000 0.317935 0.375407 H\n0.182064 0.000000 0.375407 H\n0.500000 0.682064 0.375407 H\n0.000000 0.817935 0.624593 H\n0.000000 0.182064 0.624593 H\n0.317935 0.500000 0.624593 H\n0.682064 0.500000 0.624593 H\n0.817935 0.000000 0.375407 H\n0.000000 0.500000 0.903453 Cl\n0.500000 0.000000 0.096546 Cl\n0.000000 0.500000 0.564895 O\n0.500000 0.500000 0.676930 O\n0.000000 0.000000 0.676930 O\n0.000000 0.000000 0.323070 O\n0.500000 0.500000 0.323070 O\n0.500000 0.000000 0.435105 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"H",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-H-O",
"density": 3.1815282962318525,
"density_atomic": 0.08484540525109986,
"volume": 235.72284133489643,
"volume_molar": 7.097780654329463,
"formula_full": "Ba2 H10 Cl2 O6",
"formula_reduced": "BaH5ClO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.23823805375,
"spacegroup": 129
},
{
"id": "jvasp-3741",
"created_at": "2022-09-04T14:36:07.259837Z",
"updated_at": "2022-09-04T14:36:07.259868Z",
"structure_string": "Ba2 H2 Br2\n1.0\n4.534776 0.000000 0.000000\n0.000000 4.534776 0.000000\n0.000000 0.000000 7.430051\nBa H Br\n2 2 2\ndirect\n0.000000 0.500000 0.804327 Ba\n0.500000 0.000000 0.195673 Ba\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.654197 Br\n0.000000 0.500000 0.345803 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 4.743597843417366,
"density_atomic": 0.039268813253625356,
"volume": 152.79300551426954,
"volume_molar": 15.33568310583979,
"formula_full": "Ba2 H2 Br2",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1442866916666666,
"spacegroup": 129
},
{
"id": "jvasp-115539",
"created_at": "2022-09-04T14:38:44.828113Z",
"updated_at": "2022-09-04T14:38:44.828132Z",
"structure_string": "Ba1 H1 Br1\n1.0\n7.831452 -0.000000 -0.000000\n-0.000000 7.831452 -0.000000\n0.000000 -0.000000 10.718069\nBa H Br\n1 1 1\ndirect\n0.000000 0.000000 0.369793 Ba\n0.000000 0.000000 0.149083 H\n0.000000 0.000000 0.646815 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 0.5512901229380508,
"density_atomic": 0.004563731918434835,
"volume": 657.3567539937517,
"volume_molar": 131.9564967362355,
"formula_full": "Ba1 H1 Br1",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6356900249999999,
"spacegroup": 99
},
{
"id": "jvasp-115543",
"created_at": "2022-09-04T14:38:44.193102Z",
"updated_at": "2022-09-04T14:38:44.193131Z",
"structure_string": "Ba2 H2 Br2\n1.0\n4.534192 0.000000 0.000000\n0.000000 4.534192 0.000000\n0.000000 0.000000 7.435998\nBa H Br\n2 2 2\ndirect\n0.500000 0.000000 0.805526 Ba\n0.000000 0.500000 0.194475 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.653791 Br\n0.500000 0.000000 0.346209 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 4.741025156337644,
"density_atomic": 0.039247515839335945,
"volume": 152.87591766474253,
"volume_molar": 15.344004916520834,
"formula_full": "Ba2 H2 Br2",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1373866916666666,
"spacegroup": 129
},
{
"id": "jvasp-115542",
"created_at": "2022-09-04T14:38:46.163471Z",
"updated_at": "2022-09-04T14:38:46.163498Z",
"structure_string": "Ba1 H1 Br1\n1.0\n4.541789 -0.808915 0.000000\n-1.285034 5.933388 0.000000\n0.000000 0.000000 5.324508\nBa H Br\n1 1 1\ndirect\n0.390405 -0.026991 0.000000 Ba\n-0.186447 -0.180755 0.000000 H\n0.098667 0.389631 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"H",
"Br"
],
"chemical_system": "Ba-Br-H",
"density": 2.6269754594464656,
"density_atomic": 0.021746828492641156,
"volume": 137.9511500270102,
"volume_molar": 27.69204144888444,
"formula_full": "Ba1 H1 Br1",
"formula_reduced": "BaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3411200249999999,
"spacegroup": 38
}
]
}