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=-density&page=4436",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4434",
"results": [
{
"id": "jvasp-38260",
"created_at": "2022-09-04T14:37:45.194248Z",
"updated_at": "2022-09-04T14:37:45.194269Z",
"structure_string": "Rb3 Ba1\n1.0\n-3.308862 3.308862 7.103403\n3.308862 -3.308862 7.103403\n3.308862 3.308862 -7.103403\nRb Ba\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ba"
],
"chemical_system": "Ba-Rb",
"density": 2.1016688641097927,
"density_atomic": 0.012858083333115567,
"volume": 311.08835557925903,
"volume_molar": 46.83544665238073,
"formula_full": "Rb3 Ba1",
"formula_reduced": "Rb3Ba",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-9794",
"created_at": "2022-09-04T14:37:19.203699Z",
"updated_at": "2022-09-04T14:37:19.203724Z",
"structure_string": "K4 Li2 Al2 P4\n1.0\n5.699446 0.000000 -2.187648\n-0.850306 5.651642 -2.215288\n0.004479 0.020183 8.529834\nK Li Al P\n4 2 2 4\ndirect\n0.824470 0.098666 0.648938 K\n0.175530 0.901334 0.351060 K\n0.675531 0.449727 0.351061 K\n0.324469 0.550272 0.648938 K\n0.250000 0.500000 -0.000000 Li\n0.750000 0.500000 -0.000000 Li\n0.250000 -0.000000 -0.000000 Al\n0.750001 -0.000000 -0.000000 Al\n0.910036 0.686999 0.820073 P\n0.410037 0.133074 0.820073 P\n0.589964 0.866926 0.179926 P\n0.089964 0.313000 0.179926 P\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"P"
],
"chemical_system": "Al-K-Li-P",
"density": 2.101345694948949,
"density_atomic": 0.043619838660969704,
"volume": 275.104181225168,
"volume_molar": 13.805967525020927,
"formula_full": "K4 Li2 Al2 P4",
"formula_reduced": "K2LiAlP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.0699649666666666,
"spacegroup": 72
},
{
"id": "jvasp-99644",
"created_at": "2022-09-04T14:36:55.495922Z",
"updated_at": "2022-09-04T14:36:55.495937Z",
"structure_string": "Ca2 H4\n1.0\n3.803637 0.027025 0.000000\n-1.925994 3.280081 0.000000\n-0.000000 0.000000 5.310288\nCa H\n2 4\ndirect\n0.166606 0.833394 0.250000 Ca\n0.833396 0.166606 0.750000 Ca\n0.833303 0.166699 0.250000 H\n0.166699 0.833302 0.750000 H\n0.500001 0.500000 -0.000000 H\n0.500001 0.500000 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"H"
],
"chemical_system": "Ca-H",
"density": 2.1013010006456243,
"density_atomic": 0.09018648608341545,
"volume": 66.528814466177,
"volume_molar": 6.677431421854035,
"formula_full": "Ca2 H4",
"formula_reduced": "CaH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1851834733333335,
"spacegroup": 194
},
{
"id": "jvasp-68046",
"created_at": "2022-09-04T14:36:06.099016Z",
"updated_at": "2022-09-04T14:36:06.099036Z",
"structure_string": "K1 Sc2 Be1\n1.0\n3.554994 0.000000 -0.000000\n0.000000 3.554994 0.000000\n-0.000000 0.000000 8.632089\nK Sc Be\n1 2 1\ndirect\n0.499999 0.499999 0.706606 K\n0.000000 0.000000 0.089015 Sc\n0.499999 0.499999 0.302714 Sc\n0.000000 0.000000 0.401664 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sc",
"Be"
],
"chemical_system": "Be-K-Sc",
"density": 2.1008968163853763,
"density_atomic": 0.036666236702003335,
"volume": 109.09218833961904,
"volume_molar": 16.424212849940414,
"formula_full": "K1 Sc2 Be1",
"formula_reduced": "KSc2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6176861500000002,
"spacegroup": 99
},
{
"id": "jvasp-95268",
"created_at": "2022-09-04T14:36:12.399845Z",
"updated_at": "2022-09-04T14:36:12.399871Z",
"structure_string": "S32\n1.0\n7.960379 -0.011716 -2.026002\n-2.235676 7.639995 -2.026002\n0.019628 0.026155 13.327398\nS\n32\ndirect\n0.138886 0.047984 0.899118 S\n0.004719 0.325245 0.760153 S\n0.565092 0.744563 0.739847 S\n0.325245 0.004719 0.260153 S\n0.744564 0.565091 0.239847 S\n0.995281 0.674754 0.239847 S\n0.434908 0.255435 0.260153 S\n0.605474 0.175032 0.848215 S\n0.326818 0.257258 0.651785 S\n0.824967 0.394525 0.651785 S\n0.742740 0.673181 0.848215 S\n0.394525 0.824966 0.151785 S\n0.673181 0.742740 0.348215 S\n0.175033 0.605473 0.348215 S\n0.257259 0.326818 0.151785 S\n0.807326 0.276647 0.994255 S\n0.282394 0.313070 0.505745 S\n0.723352 0.192673 0.505745 S\n0.686929 0.717605 0.994255 S\n0.192674 0.723351 0.005745 S\n0.717606 0.686928 0.494255 S\n0.276648 0.807325 0.494255 S\n0.313071 0.282393 0.005745 S\n0.739767 0.148867 0.100882 S\n0.047985 0.138885 0.399118 S\n0.851133 0.260232 0.399118 S\n0.861114 0.952014 0.100882 S\n0.260233 0.851131 0.899118 S\n0.952014 0.861113 0.600882 S\n0.148867 0.739766 0.600882 S\n0.255435 0.434907 0.760153 S\n0.674754 0.995280 0.739847 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.100838792692683,
"density_atomic": 0.03945593927346298,
"volume": 811.0312563645483,
"volume_molar": 15.262951208084237,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 0.0004300000000001,
"spacegroup": 70
},
{
"id": "jvasp-12907",
"created_at": "2022-09-04T14:37:28.112430Z",
"updated_at": "2022-09-04T14:37:28.112450Z",
"structure_string": "K4 Na4 S4\n1.0\n4.624948 0.000000 0.000000\n-0.000000 7.757989 0.000000\n0.000000 0.000000 8.298488\nK Na S\n4 4 4\ndirect\n0.750000 0.987630 0.184231 K\n0.250000 0.012370 0.815769 K\n0.750000 0.487630 0.315769 K\n0.250000 0.512370 0.684231 K\n0.750000 0.853316 0.575550 Na\n0.250000 0.146684 0.424451 Na\n0.750000 0.353316 0.924451 Na\n0.250000 0.646684 0.075549 Na\n0.750000 0.719087 0.894964 S\n0.250000 0.280913 0.105036 S\n0.750000 0.219087 0.605037 S\n0.250000 0.780913 0.394964 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Na",
"S"
],
"chemical_system": "K-Na-S",
"density": 2.1003350840561676,
"density_atomic": 0.04030196876357337,
"volume": 297.75220338233476,
"volume_molar": 14.942547336404733,
"formula_full": "K4 Na4 S4",
"formula_reduced": "KNaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-69935",
"created_at": "2022-09-04T14:36:04.576470Z",
"updated_at": "2022-09-04T14:36:04.576493Z",
"structure_string": "Sr1 Ca1 Be1\n1.0\n2.103508 -3.643383 -0.000000\n2.103508 3.643383 -0.000000\n-0.000000 0.000000 7.051701\nSr Ca Be\n1 1 1\ndirect\n0.333334 0.666667 0.741947 Sr\n0.666667 0.333334 0.244071 Ca\n0.000000 -0.000000 0.013981 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-Sr",
"density": 2.1002794263828735,
"density_atomic": 0.027755456456156267,
"volume": 108.08685509240071,
"volume_molar": 21.697141855738664,
"formula_full": "Sr1 Ca1 Be1",
"formula_reduced": "SrCaBe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3814342766666667,
"spacegroup": 156
},
{
"id": "jvasp-120942",
"created_at": "2022-09-04T14:38:51.101023Z",
"updated_at": "2022-09-04T14:38:51.101057Z",
"structure_string": "Ca2 Br1\n1.0\n5.596199 0.000000 1.781338\n0.000000 3.768932 0.000000\n2.512786 0.000000 6.800056\nCa Br\n2 1\ndirect\n-0.032258 0.000000 -0.034183 Ca\n-0.034410 0.000000 0.466901 Ca\n0.466668 0.000000 -0.032718 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Br"
],
"chemical_system": "Br-Ca",
"density": 2.1001693498478886,
"density_atomic": 0.023705202016104675,
"volume": 126.55450048313787,
"volume_molar": 25.404300524031477,
"formula_full": "Ca2 Br1",
"formula_reduced": "Ca2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1274434733333334,
"spacegroup": 65
},
{
"id": "jvasp-74306",
"created_at": "2022-09-04T14:36:09.426339Z",
"updated_at": "2022-09-04T14:36:09.426366Z",
"structure_string": "K1 Be2 P1\n1.0\n3.153092 0.000000 0.000000\n0.000000 3.153092 0.000000\n0.000000 0.000000 7.007881\nK Be P\n1 2 1\ndirect\n0.000000 0.000000 0.514306 K\n0.000000 0.000000 0.988232 Be\n0.500000 0.500000 0.143575 Be\n0.500000 0.500000 0.853887 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"P"
],
"chemical_system": "Be-K-P",
"density": 2.0996523068592925,
"density_atomic": 0.05741164456925872,
"volume": 69.67227693982163,
"volume_molar": 10.489406470032698,
"formula_full": "K1 Be2 P1",
"formula_reduced": "KBe2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.505731425,
"spacegroup": 99
},
{
"id": "jvasp-38000",
"created_at": "2022-09-04T14:38:02.529874Z",
"updated_at": "2022-09-04T14:38:02.529896Z",
"structure_string": "Li3 Cl1 O1\n1.0\n3.852586 -0.000000 0.000000\n0.000000 3.852586 -0.000000\n0.000000 0.000000 3.852586\nLi Cl O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Cl",
"O"
],
"chemical_system": "Cl-Li-O",
"density": 2.0988556706788306,
"density_atomic": 0.08744056959989222,
"volume": 57.18169521171741,
"volume_molar": 6.887124349207604,
"formula_full": "Li3 Cl1 O1",
"formula_reduced": "Li3ClO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5799375134999999,
"spacegroup": 221
},
{
"id": "jvasp-106204",
"created_at": "2022-09-04T14:38:39.220437Z",
"updated_at": "2022-09-04T14:38:39.220461Z",
"structure_string": "K3 Al1 Cl6\n1.0\n6.378122 -0.000000 3.682411\n2.126041 6.013351 3.682411\n-0.000000 -0.000000 7.364820\nK Al Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.776556 0.223443 0.223443 Cl\n0.223443 0.223443 0.776556 Cl\n0.223443 0.776556 0.776556 Cl\n0.223443 0.776556 0.223443 Cl\n0.776556 0.223443 0.776556 Cl\n0.776556 0.776556 0.223443 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-K",
"density": 2.0986452591049014,
"density_atomic": 0.035402056148456554,
"volume": 282.46946895020886,
"volume_molar": 17.010709024206072,
"formula_full": "K3 Al1 Cl6",
"formula_reduced": "K3AlCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98780",
"created_at": "2022-09-04T14:35:47.575892Z",
"updated_at": "2022-09-04T14:35:47.575916Z",
"structure_string": "S36\n1.0\n7.292104 0.000000 0.000000\n0.000000 10.552045 -0.565180\n0.000000 -0.148999 11.879147\nS\n36\ndirect\n0.477606 0.705797 0.571016 S\n0.003516 0.508913 0.159302 S\n0.419974 0.804105 0.310471 S\n0.522394 0.294203 0.428985 S\n0.466204 0.205171 0.007103 S\n0.496484 0.008913 0.659302 S\n0.077996 0.184641 0.357621 S\n0.758469 0.404438 0.428454 S\n0.959942 0.005730 0.350230 S\n0.233715 0.486906 0.259556 S\n0.919974 0.695895 0.189529 S\n0.241531 0.595561 0.571546 S\n0.766285 0.513093 0.740444 S\n0.033796 0.705171 0.507103 S\n0.977605 0.794202 0.928985 S\n0.733714 0.013093 0.240444 S\n0.577996 0.315359 0.142379 S\n0.741530 0.904438 0.928455 S\n0.081681 0.809502 0.092738 S\n0.418318 0.309502 0.592738 S\n0.503515 0.991086 0.340698 S\n0.022394 0.205797 0.071016 S\n0.996484 0.491086 0.840698 S\n0.080025 0.304105 0.810471 S\n0.922003 0.815359 0.642380 S\n0.266285 0.986906 0.759556 S\n0.422004 0.684640 0.857621 S\n0.258469 0.095561 0.071546 S\n0.581681 0.690497 0.407262 S\n0.918318 0.190498 0.907262 S\n0.040057 0.994269 0.649770 S\n0.580025 0.195895 0.689529 S\n0.533796 0.794828 0.992897 S\n0.459942 0.494270 0.149770 S\n0.540057 0.505730 0.850230 S\n0.966203 0.294829 0.492897 S\n",
"nsites": 36,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.0984564469854874,
"density_atomic": 0.03941119634131679,
"volume": 913.446008799772,
"volume_molar": 15.280279004590072,
"formula_full": "S36",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 0.00164,
"spacegroup": 14
}
]
}