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_full&page=4485",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4483",
"results": [
{
"id": "jvasp-117470",
"created_at": "2022-09-04T14:38:51.180205Z",
"updated_at": "2022-09-04T14:38:51.180235Z",
"structure_string": "B2 H2\n1.0\n2.811175 -0.093941 0.295229\n-0.164185 -4.779819 0.033314\n0.202687 -0.020179 -1.934288\nB H\n2 2\ndirect\n0.234914 0.143450 0.055558 B\n0.734963 0.311615 0.555623 B\n0.735028 0.557422 0.555703 H\n0.234861 0.897649 0.055458 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.4919501915625974,
"density_atomic": 0.15203959176717807,
"volume": 26.308936728304936,
"volume_molar": 3.960903005594655,
"formula_full": "B2 H2",
"formula_reduced": "BH",
"formula_anonymous": "AB",
"energy_above_hull": 2.446581291666667,
"spacegroup": 59
},
{
"id": "jvasp-32555",
"created_at": "2022-09-04T14:36:59.306492Z",
"updated_at": "2022-09-04T14:36:59.306528Z",
"structure_string": "B2 H18 C6 O6\n1.0\n6.937307 0.000000 -0.000000\n-3.468654 6.007883 0.000000\n0.000000 -0.000000 6.353983\nB H C O\n2 18 6 6\ndirect\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n0.855867 0.573508 0.391659 H\n0.439433 0.511918 0.250000 H\n0.927515 0.439432 0.750000 H\n0.144134 0.426492 0.608341 H\n0.717642 0.144134 0.391659 H\n0.855867 0.573508 0.108341 H\n0.717642 0.144134 0.108341 H\n0.488082 0.927514 0.250000 H\n0.282359 0.855866 0.891658 H\n0.426492 0.282358 0.108341 H\n0.144134 0.426492 0.891658 H\n0.573508 0.717641 0.608341 H\n0.573508 0.717641 0.891658 H\n0.072486 0.560567 0.250000 H\n0.560568 0.488081 0.750000 H\n0.511919 0.072486 0.750000 H\n0.426492 0.282358 0.391659 H\n0.282359 0.855866 0.608341 H\n0.630493 0.669326 0.750000 C\n0.330674 0.961164 0.750000 C\n0.961166 0.630492 0.250000 C\n0.038835 0.369507 0.750000 C\n0.669327 0.038835 0.250000 C\n0.369507 0.330673 0.250000 C\n0.772309 0.903645 0.250000 O\n0.131336 0.227691 0.250000 O\n0.096355 0.868663 0.250000 O\n0.227691 0.096355 0.750000 O\n0.868664 0.772308 0.750000 O\n0.903646 0.131336 0.750000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 1.3031354049928248,
"density_atomic": 0.12083466694051254,
"volume": 264.8246634035392,
"volume_molar": 4.9837856241741685,
"formula_full": "B2 H18 C6 O6",
"formula_reduced": "BH9(CO)3",
"formula_anonymous": "AB3C3D9",
"energy_above_hull": 4.089935817708334,
"spacegroup": 176
},
{
"id": "jvasp-86218",
"created_at": "2022-09-04T14:35:44.281708Z",
"updated_at": "2022-09-04T14:35:44.281732Z",
"structure_string": "B2 H12 N2\n1.0\n4.726544 0.000000 0.000000\n0.000000 4.974545 0.000000\n0.000000 0.000000 5.362388\nB H N\n2 12 2\ndirect\n0.175511 0.991646 0.000000 B\n0.824488 0.491646 0.500000 B\n0.722403 0.391544 0.312213 H\n0.842793 0.898614 0.344450 H\n0.722403 0.391544 0.687787 H\n0.277596 0.891543 0.812213 H\n0.277596 0.891543 0.187787 H\n0.083331 0.464991 0.500000 H\n0.916668 0.964990 0.000000 H\n0.157206 0.398614 0.155550 H\n0.455263 0.346239 0.000000 H\n0.544736 0.846238 0.500000 H\n0.842793 0.898614 0.655550 H\n0.157206 0.398614 0.844450 H\n0.758381 0.805804 0.500000 N\n0.241618 0.305805 0.000000 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.8130080671220572,
"density_atomic": 0.12690089325869147,
"volume": 126.08264283359688,
"volume_molar": 4.7455463908545354,
"formula_full": "B2 H12 N2",
"formula_reduced": "BH6N",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.615303229166667,
"spacegroup": 31
},
{
"id": "jvasp-31154",
"created_at": "2022-09-04T14:38:19.071663Z",
"updated_at": "2022-09-04T14:38:19.071686Z",
"structure_string": "B2 H12 N2\n1.0\n5.360421 0.000000 0.000000\n0.000000 4.975483 0.000000\n0.000000 0.000000 4.727991\nB H N\n2 12 2\ndirect\n0.500000 0.188687 0.675622 B\n0.000000 0.688686 0.324378 B\n0.500000 0.162013 0.416859 H\n0.500000 0.543312 0.955187 H\n0.000000 0.043312 0.044813 H\n0.812139 0.588626 0.222314 H\n0.187861 0.588626 0.222314 H\n0.844392 0.095564 0.342799 H\n0.155608 0.095564 0.342799 H\n0.000000 0.662013 0.583141 H\n0.655608 0.595564 0.657201 H\n0.344392 0.595564 0.657201 H\n0.687861 0.088626 0.777686 H\n0.312139 0.088626 0.777686 H\n0.500000 0.502808 0.741624 N\n0.000000 0.002808 0.258376 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.8129042061245129,
"density_atomic": 0.12688468179179943,
"volume": 126.09875182769368,
"volume_molar": 4.746152707291742,
"formula_full": "B2 H12 N2",
"formula_reduced": "BH6N",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.615299479166667,
"spacegroup": 31
},
{
"id": "jvasp-117482",
"created_at": "2022-09-04T14:38:35.366870Z",
"updated_at": "2022-09-04T14:38:35.366906Z",
"structure_string": "B2 H1\n1.0\n3.923843 -0.003793 0.755877\n-0.365874 -1.715674 -0.116913\n-2.057868 1.564887 -3.055575\nB H\n2 1\ndirect\n0.232748 0.026097 0.668014 B\n0.843256 0.025133 0.057138 B\n0.037997 0.025594 0.862553 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.0658599261692157,
"density_atomic": 0.16492618986351976,
"volume": 18.189955170143502,
"volume_molar": 3.651415681756464,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.548358388888889,
"spacegroup": 71
},
{
"id": "jvasp-117474",
"created_at": "2022-09-04T14:38:50.070356Z",
"updated_at": "2022-09-04T14:38:50.070376Z",
"structure_string": "B2 H1\n1.0\n3.910231 0.837126 -0.302289\n-3.809547 -4.165696 0.657711\n-0.669166 0.755235 -1.441237\nB H\n2 1\ndirect\n0.584426 0.327491 0.182213 B\n0.416714 0.938062 0.403653 B\n0.000620 0.132801 0.792966 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.0555180441605003,
"density_atomic": 0.16410055441064642,
"volume": 18.281473885169078,
"volume_molar": 3.669786967891742,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.545338388888889,
"spacegroup": 71
},
{
"id": "jvasp-117486",
"created_at": "2022-09-04T14:38:45.295746Z",
"updated_at": "2022-09-04T14:38:45.295780Z",
"structure_string": "B2 H1\n1.0\n2.231167 -0.051495 0.207267\n-0.084502 -3.574238 0.021450\n-0.911741 -1.348281 -2.639544\nB H\n2 1\ndirect\n0.356499 0.698951 0.423119 B\n0.120403 0.553121 -0.049062 B\n0.238313 0.126043 0.186894 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.8353220481900252,
"density_atomic": 0.14652139225227329,
"volume": 20.4748259205369,
"volume_molar": 4.110076124332326,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5180217222222225,
"spacegroup": 12
},
{
"id": "jvasp-117485",
"created_at": "2022-09-04T14:38:51.906766Z",
"updated_at": "2022-09-04T14:38:51.906791Z",
"structure_string": "B2 H1\n1.0\n3.215280 -0.643735 -0.430055\n-0.556911 -3.648300 -0.973284\n0.894558 0.665919 -1.355736\nB H\n2 1\ndirect\n0.656509 0.328233 0.539430 B\n0.080414 0.556091 0.729651 B\n0.868405 0.942187 0.134604 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.1123549563200776,
"density_atomic": 0.16863808149432868,
"volume": 17.789576194276677,
"volume_molar": 3.5710443967559753,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5604183888888894,
"spacegroup": 12
},
{
"id": "jvasp-117483",
"created_at": "2022-09-04T14:38:51.325447Z",
"updated_at": "2022-09-04T14:38:51.325474Z",
"structure_string": "B2 H1\n1.0\n2.947540 0.000000 0.000000\n-1.473770 2.552645 0.000000\n-0.000000 0.000000 2.595041\nB H\n2 1\ndirect\n0.333333 0.666665 0.000000 B\n0.666667 0.333333 0.000000 B\n0.000000 0.000000 0.000000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.924589657533382,
"density_atomic": 0.15364799677212837,
"volume": 19.525148801316476,
"volume_molar": 3.91943981471577,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.6960683888888894,
"spacegroup": 191
},
{
"id": "jvasp-164",
"created_at": "2022-09-04T14:37:11.930463Z",
"updated_at": "2022-09-04T14:37:11.930478Z",
"structure_string": "B2 Cl6\n1.0\n3.002776 -5.200960 0.000000\n3.002776 5.200961 0.000000\n0.000000 0.000000 6.370269\nB Cl\n2 6\ndirect\n0.333334 0.666668 0.250000 B\n0.666668 0.333334 0.750000 B\n0.051817 0.368327 0.250000 Cl\n0.683491 0.051818 0.750000 Cl\n0.368327 0.316510 0.750000 Cl\n0.631674 0.683491 0.250000 Cl\n0.316510 0.948184 0.250000 Cl\n0.948184 0.631675 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Cl"
],
"chemical_system": "B-Cl",
"density": 1.955695624177747,
"density_atomic": 0.04020644989872662,
"volume": 198.97305084509262,
"volume_molar": 14.978046495447309,
"formula_full": "B2 Cl6",
"formula_reduced": "BCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9535711964583335,
"spacegroup": 176
},
{
"id": "jvasp-24912",
"created_at": "2022-09-04T14:38:18.315166Z",
"updated_at": "2022-09-04T14:38:18.315183Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n4.910119 -0.014181 -0.420832\n-2.117212 4.430224 -0.420832\n-0.066464 -0.105090 9.513142\nB Cl O F\n2 2 4 8\ndirect\n0.580222 0.433707 0.484840 B\n0.433708 0.580221 0.984840 B\n0.932859 0.074059 0.248537 Cl\n0.074060 0.932857 0.748537 Cl\n0.290042 0.867674 0.681498 O\n0.137044 0.976363 0.189578 O\n0.976364 0.137043 0.689578 O\n0.867675 0.290041 0.181498 O\n0.625024 0.484808 0.638656 F\n0.484809 0.625023 0.138656 F\n0.293249 0.431317 0.437794 F\n0.572997 0.154809 0.436401 F\n0.672457 0.813371 0.937397 F\n0.813372 0.672456 0.437397 F\n0.431318 0.293249 0.937793 F\n0.154810 0.572995 0.936401 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"B",
"Cl",
"O",
"F"
],
"chemical_system": "B-Cl-F-O",
"density": 2.4842530261561158,
"density_atomic": 0.0775878092357046,
"volume": 206.21796333227397,
"volume_molar": 7.761710015171703,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0822455976041665,
"spacegroup": 9
},
{
"id": "jvasp-33679",
"created_at": "2022-09-04T14:38:06.942185Z",
"updated_at": "2022-09-04T14:38:06.942207Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n2.435276 4.541183 -0.034427\n-2.435276 4.541183 0.034427\n-1.276408 0.000000 9.488000\nB Cl O F\n2 2 4 8\ndirect\n0.409510 0.450495 0.515608 B\n0.549504 0.590489 0.015608 B\n0.885495 0.672329 0.751278 Cl\n0.327671 0.114504 0.251278 Cl\n0.132769 0.361127 0.809580 O\n0.857591 0.922949 0.818091 O\n0.638873 0.867230 0.309580 O\n0.077051 0.142408 0.318091 O\n0.142826 0.715368 0.564121 F\n0.498311 0.642148 0.863122 F\n0.284631 0.857173 0.064121 F\n0.357852 0.501688 0.363122 F\n0.425660 0.176610 0.560793 F\n0.680982 0.431907 0.562838 F\n0.823389 0.574339 0.060793 F\n0.568093 0.319017 0.062838 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"B",
"Cl",
"O",
"F"
],
"chemical_system": "B-Cl-F-O",
"density": 2.4458351749057092,
"density_atomic": 0.07638794880173169,
"volume": 209.45712315863736,
"volume_molar": 7.883626742787312,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0825843476041666,
"spacegroup": 9
}
]
}