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=172",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=170",
"results": [
{
"id": "jvasp-101662",
"created_at": "2022-09-04T14:37:01.209540Z",
"updated_at": "2022-09-04T14:37:01.209572Z",
"structure_string": "Pr2 Si2 Os4 C2\n1.0\n5.936073 -0.007205 0.000000\n-4.582142 3.773724 0.000000\n0.000000 0.000000 7.220575\nPr Si Os C\n2 2 4 2\ndirect\n0.549714 0.450284 0.250000 Pr\n0.450284 0.549714 0.750000 Pr\n0.270838 0.729160 0.250000 Si\n0.729160 0.270838 0.750000 Si\n0.833921 0.166077 0.059234 Os\n0.166077 0.833921 0.940766 Os\n0.166077 0.833921 0.559233 Os\n0.833921 0.166077 0.440766 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Os",
"C"
],
"chemical_system": "C-Os-Pr-Si",
"density": 11.545168333391576,
"density_atomic": 0.061915498945840954,
"volume": 161.5104484379146,
"volume_molar": 9.72638654703844,
"formula_full": "Pr2 Si2 Os4 C2",
"formula_reduced": "PrSiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.759111690000001,
"spacegroup": 63
},
{
"id": "jvasp-112027",
"created_at": "2022-09-04T14:38:43.589118Z",
"updated_at": "2022-09-04T14:38:43.589149Z",
"structure_string": "Ti1 H26 C14 O4\n1.0\n4.853996 0.061355 0.212739\n1.765758 7.159087 2.207886\n0.171611 0.213997 10.562369\nTi H C O\n1 26 14 4\ndirect\n0.618159 0.363711 0.181904 Ti\n0.385449 0.601297 0.607585 H\n0.477865 0.514436 0.380746 H\n0.531415 0.264009 0.439260 H\n0.706647 0.261909 0.968304 H\n0.338065 0.390807 0.949753 H\n0.530079 0.714364 0.698627 H\n0.192060 0.410509 0.368669 H\n0.520870 0.988724 0.495593 H\n0.177671 0.953405 0.539371 H\n0.197087 0.793089 0.363003 H\n0.542810 0.831409 0.319555 H\n0.819567 0.240050 0.588948 H\n0.616648 0.514655 0.914380 H\n0.199204 0.389917 0.627262 H\n0.254157 0.052364 0.721395 H\n0.560057 0.039472 0.901002 H\n0.586688 0.798825 0.926702 H\n0.671393 0.879640 0.130331 H\n0.105895 0.104964 0.864818 H\n0.983962 0.948169 0.060200 H\n0.827875 0.900633 0.721209 H\n0.642614 0.285353 0.730953 H\n0.946079 0.718687 0.544694 H\n0.815884 0.586257 0.463770 H\n0.999935 0.455093 0.758058 H\n0.103977 0.774771 0.839892 H\n0.844410 0.855730 0.061285 C\n0.980684 0.429414 0.662106 C\n0.712048 0.901001 0.922029 C\n0.930241 0.904368 0.810446 C\n0.051723 0.079310 0.773378 C\n0.821842 0.612691 0.560232 C\n0.853109 0.259491 0.685541 C\n0.014837 0.654166 0.112887 C\n0.383910 0.892418 0.501676 C\n0.521182 0.698316 0.598911 C\n0.205413 0.080074 0.268921 C\n0.422736 0.393996 0.363345 C\n0.552239 0.389446 0.978095 C\n0.337237 0.885832 0.359914 C\n0.931311 0.132372 0.259441 O\n0.874167 0.523778 0.150752 O\n0.281181 0.617514 0.116778 O\n0.363573 0.184395 0.206992 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.3990738803083742,
"density_atomic": 0.1238138766027691,
"volume": 363.448760629417,
"volume_molar": 4.863865767906435,
"formula_full": "Ti1 H26 C14 O4",
"formula_reduced": "TiH26(C7O2)2",
"formula_anonymous": "AB4C14D26",
"energy_above_hull": 4.758395385185185,
"spacegroup": 1
},
{
"id": "jvasp-23721",
"created_at": "2022-09-04T14:37:37.173063Z",
"updated_at": "2022-09-04T14:37:37.173087Z",
"structure_string": "Sc4 Si2 B4 Ir10\n1.0\n9.247272 0.000000 -0.000000\n0.000000 9.247272 0.000000\n-0.000000 0.000000 3.139898\nSc Si B Ir\n4 2 4 10\ndirect\n0.175236 0.675236 0.000000 Sc\n0.675236 0.824763 0.000000 Sc\n0.324763 0.175236 0.000000 Sc\n0.824763 0.324763 0.000000 Sc\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.124020 0.375980 0.000000 B\n0.624020 0.124020 0.000000 B\n0.375980 0.875980 0.000000 B\n0.875980 0.624020 0.000000 B\n0.212266 0.929445 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.287733 0.429446 0.500000 Ir\n0.712267 0.570554 0.500000 Ir\n0.570554 0.287733 0.500000 Ir\n0.429446 0.712267 0.500000 Ir\n0.929445 0.787732 0.500000 Ir\n0.787732 0.070554 0.500000 Ir\n0.070554 0.212266 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Si",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc-Si",
"density": 13.61466504653186,
"density_atomic": 0.07448815049699087,
"volume": 268.49908161980676,
"volume_molar": 8.084696317226026,
"formula_full": "Sc4 Si2 B4 Ir10",
"formula_reduced": "Sc2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.758375976666668,
"spacegroup": 127
},
{
"id": "jvasp-22910",
"created_at": "2022-09-04T14:37:29.968150Z",
"updated_at": "2022-09-04T14:37:29.968170Z",
"structure_string": "Tc12 P4\n1.0\n4.602824 0.000000 1.611017\n2.301411 6.753575 0.805510\n0.070332 -0.000003 7.179915\nTc P\n12 4\ndirect\n0.348233 0.651738 0.651673 Tc\n0.000091 0.651674 0.348262 Tc\n0.000026 0.348327 0.651737 Tc\n0.651645 0.348263 0.348327 Tc\n0.909083 0.000076 0.591897 Tc\n0.499018 0.591898 0.999924 Tc\n0.090840 0.408104 0.000075 Tc\n0.501055 0.999926 0.408103 Tc\n0.091447 0.000017 0.197517 Tc\n0.711035 0.197517 -0.000016 Tc\n0.908535 0.802483 0.000017 Tc\n0.288980 -0.000016 0.802482 Tc\n0.209097 0.290871 0.290956 P\n0.499946 0.290956 0.709129 P\n0.500031 0.709045 0.290871 P\n0.790922 0.709130 0.709044 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tc",
"P"
],
"chemical_system": "P-Tc",
"density": 9.70446376777276,
"density_atomic": 0.07193398811076163,
"volume": 222.42614958819908,
"volume_molar": 8.371759884530944,
"formula_full": "Tc12 P4",
"formula_reduced": "Tc3P",
"formula_anonymous": "AB3",
"energy_above_hull": 4.757645,
"spacegroup": 121
},
{
"id": "jvasp-123467",
"created_at": "2022-09-04T14:38:53.572070Z",
"updated_at": "2022-09-04T14:38:53.572087Z",
"structure_string": "U3 Bi1\n1.0\n3.125488 0.000000 0.000000\n0.000000 5.621917 0.000000\n0.000000 0.000000 5.342486\nU Bi\n3 1\ndirect\n0.500000 0.333475 0.250000 U\n0.500000 0.671817 0.750001 U\n0.000000 0.824662 0.250000 U\n0.000000 0.170047 0.750001 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Bi"
],
"chemical_system": "Bi-U",
"density": 16.3281403804465,
"density_atomic": 0.04261027461960199,
"volume": 93.87407229147219,
"volume_molar": 14.133071926341533,
"formula_full": "U3 Bi1",
"formula_reduced": "U3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 4.756753075,
"spacegroup": 25
},
{
"id": "jvasp-103401",
"created_at": "2022-09-04T14:36:47.599562Z",
"updated_at": "2022-09-04T14:36:47.599584Z",
"structure_string": "V6 Ge1 Os1\n1.0\n4.770994 0.000000 0.000000\n-0.000000 4.770994 -0.000000\n-0.000000 -0.000000 4.770994\nV Ge Os\n6 1 1\ndirect\n0.000000 0.500000 0.747197 V\n0.500000 0.252803 0.000000 V\n0.747197 0.000000 0.500000 V\n0.000000 0.500000 0.252803 V\n0.500000 0.747197 0.000000 V\n0.252803 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Os\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Ge",
"Os"
],
"chemical_system": "Ge-Os-V",
"density": 8.692955766490838,
"density_atomic": 0.0736653702189058,
"volume": 108.59919628757727,
"volume_molar": 8.174995580833247,
"formula_full": "V6 Ge1 Os1",
"formula_reduced": "V6GeOs",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.752604518749999,
"spacegroup": 200
},
{
"id": "jvasp-99788",
"created_at": "2022-09-04T14:36:46.162768Z",
"updated_at": "2022-09-04T14:36:46.162794Z",
"structure_string": "Hf6 Sc2\n1.0\n6.392442 0.000000 0.000000\n-3.196221 5.536016 -0.000000\n-0.000000 0.000000 5.016635\nHf Sc\n6 2\ndirect\n0.166452 0.332903 0.250000 Hf\n0.667097 0.833549 0.250000 Hf\n0.166452 0.833549 0.250000 Hf\n0.833549 0.667097 0.749999 Hf\n0.332903 0.166452 0.749999 Hf\n0.833548 0.166452 0.749999 Hf\n0.333333 0.666667 0.749999 Sc\n0.666667 0.333333 0.250000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Sc"
],
"chemical_system": "Hf-Sc",
"density": 10.857985287656716,
"density_atomic": 0.04506229955831099,
"volume": 177.5319963342735,
"volume_molar": 13.364033391609986,
"formula_full": "Hf6 Sc2",
"formula_reduced": "Hf3Sc",
"formula_anonymous": "AB3",
"energy_above_hull": 4.7520760625,
"spacegroup": 194
},
{
"id": "jvasp-2094",
"created_at": "2022-09-04T14:36:49.095790Z",
"updated_at": "2022-09-04T14:36:49.095815Z",
"structure_string": "Th3 N4\n1.0\n3.803740 -0.000165 8.627825\n1.817342 3.341512 8.627825\n-0.000277 -0.000165 9.429093\nTh N\n3 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.222112 0.222111 0.222113 Th\n0.777888 0.777885 0.777889 Th\n0.132293 0.132292 0.132293 N\n0.867708 0.867704 0.867709 N\n0.377216 0.377214 0.377216 N\n0.622785 0.622782 0.622785 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Th",
"N"
],
"chemical_system": "N-Th",
"density": 10.420178297805016,
"density_atomic": 0.058401612863528955,
"volume": 119.85970347013154,
"volume_molar": 10.311600082128466,
"formula_full": "Th3 N4",
"formula_reduced": "Th3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.751804257142856,
"spacegroup": 166
},
{
"id": "jvasp-4558",
"created_at": "2022-09-04T14:37:49.717032Z",
"updated_at": "2022-09-04T14:37:49.717053Z",
"structure_string": "Ta2 C1 S2\n1.0\n3.243978 0.003736 8.216177\n1.566315 2.840786 8.216177\n0.006318 0.003736 8.833398\nTa C S\n2 1 2\ndirect\n0.620758 0.620761 0.620756 Ta\n0.379242 0.379244 0.379241 Ta\n0.000000 0.000000 0.000000 C\n0.775131 0.775134 0.775128 S\n0.224869 0.224870 0.224868 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"C",
"S"
],
"chemical_system": "C-S-Ta",
"density": 8.963000354822313,
"density_atomic": 0.061611823120069756,
"volume": 81.15325511884218,
"volume_molar": 9.774326509157165,
"formula_full": "Ta2 C1 S2",
"formula_reduced": "Ta2CS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.75135968,
"spacegroup": 166
},
{
"id": "jvasp-29481",
"created_at": "2022-09-04T14:38:29.744489Z",
"updated_at": "2022-09-04T14:38:29.744514Z",
"structure_string": "Ta2 C1 S2\n1.0\n3.292871 -0.000000 0.000000\n-1.646436 2.851710 -0.000000\n-0.000000 0.000000 8.664409\nTa C S\n2 1 2\ndirect\n0.666666 0.333333 0.862824 Ta\n0.333332 0.666667 0.137176 Ta\n0.000000 0.000000 0.000000 C\n0.333332 0.666667 0.675625 S\n0.666666 0.333333 0.324375 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"C",
"S"
],
"chemical_system": "C-S-Ta",
"density": 8.94005802000385,
"density_atomic": 0.06145411710435639,
"volume": 81.36151385121043,
"volume_molar": 9.799409777173578,
"formula_full": "Ta2 C1 S2",
"formula_reduced": "Ta2CS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.75125368,
"spacegroup": 164
},
{
"id": "jvasp-95246",
"created_at": "2022-09-04T14:35:51.436469Z",
"updated_at": "2022-09-04T14:35:51.436493Z",
"structure_string": "H24 C12 N16 O12\n1.0\n3.023778 3.552382 -1.818642\n-3.023778 3.552382 1.818642\n-0.196328 0.000000 24.836727\nH C N O\n24 12 16 12\ndirect\n0.739705 0.093877 0.501373 H\n0.070668 0.545670 0.200446 H\n0.545669 0.070668 0.299554 H\n0.929331 0.454330 0.799554 H\n0.454330 0.929331 0.700446 H\n0.176391 0.689674 0.135464 H\n0.689673 0.176392 0.364536 H\n0.823608 0.310326 0.864536 H\n0.310326 0.823608 0.635464 H\n0.595752 0.163562 0.202233 H\n0.404247 0.836437 0.797767 H\n0.836437 0.404247 0.702233 H\n0.163562 0.595752 0.297767 H\n0.468952 0.651270 0.379807 H\n0.348729 0.531048 0.879807 H\n0.531047 0.348730 0.620193 H\n0.722691 0.014134 0.042336 H\n0.014134 0.722691 0.457664 H\n0.277308 0.985866 0.957664 H\n0.985865 0.277308 0.542336 H\n0.906123 0.260294 0.001373 H\n0.260294 0.906123 0.498627 H\n0.093876 0.739705 0.998627 H\n0.651270 0.468952 0.120193 H\n0.151062 0.666720 0.705449 C\n0.333279 0.848937 0.205449 C\n0.848937 0.333280 0.294551 C\n0.666720 0.151063 0.794551 C\n0.061612 0.546580 0.374335 C\n0.546580 0.061613 0.125665 C\n0.938387 0.453419 0.625665 C\n0.804442 0.376364 0.062532 C\n0.376364 0.804443 0.437468 C\n0.195557 0.623636 0.937468 C\n0.623635 0.195557 0.562532 C\n0.453419 0.938387 0.874335 C\n0.186713 0.680016 0.178134 N\n0.680016 0.186713 0.321867 N\n0.813286 0.319983 0.821867 N\n0.319983 0.813286 0.678134 N\n0.484809 0.043981 0.176651 N\n0.515190 0.956019 0.823349 N\n0.956018 0.515191 0.676651 N\n0.043981 0.484809 0.323349 N\n0.303668 0.673391 0.393853 N\n0.326608 0.696331 0.893853 N\n0.696331 0.326608 0.606147 N\n0.802097 0.205928 0.032122 N\n0.205928 0.802097 0.467878 N\n0.197902 0.794072 0.967879 N\n0.794071 0.197903 0.532122 N\n0.673391 0.303668 0.106147 N\n0.660299 0.155626 0.742926 O\n0.155625 0.660300 0.757074 O\n0.498426 0.882031 0.101162 O\n0.882031 0.498426 0.398838 O\n0.501573 0.117969 0.898838 O\n0.080140 0.398047 0.944815 O\n0.919859 0.601953 0.055185 O\n0.601952 0.919859 0.444815 O\n0.398047 0.080140 0.555185 O\n0.844374 0.339700 0.242926 O\n0.117968 0.501573 0.601162 O\n0.339700 0.844374 0.257074 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.8274653658681372,
"density_atomic": 0.1205190596399378,
"volume": 531.036337249943,
"volume_molar": 4.996836830615606,
"formula_full": "H24 C12 N16 O12",
"formula_reduced": "H6C3N4O3",
"formula_anonymous": "A3B3C4D6",
"energy_above_hull": 4.75093646875,
"spacegroup": 15
},
{
"id": "jvasp-117952",
"created_at": "2022-09-04T14:38:49.118079Z",
"updated_at": "2022-09-04T14:38:49.118100Z",
"structure_string": "Si1 C2\n1.0\n2.842542 0.000000 0.000000\n0.000000 3.167099 0.000000\n0.000000 0.000000 3.927816\nSi C\n1 2\ndirect\n0.466664 0.000000 0.000000 Si\n-0.033332 0.000000 0.666378 C\n-0.033332 0.000000 0.333624 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"C"
],
"chemical_system": "C-Si",
"density": 2.446947601250239,
"density_atomic": 0.08484018177342556,
"volume": 35.3606031633903,
"volume_molar": 7.098217653614589,
"formula_full": "Si1 C2",
"formula_reduced": "SiC2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.7507595333333335,
"spacegroup": 47
}
]
}