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=-nelements&page=332",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=330",
"results": [
{
"id": "jvasp-32943",
"created_at": "2022-09-04T14:37:07.537304Z",
"updated_at": "2022-09-04T14:37:07.537326Z",
"structure_string": "As1 N1 O2 F6\n1.0\n5.184418 0.456674 -0.060770\n-0.224646 5.199640 -0.060770\n0.174648 0.199176 4.732649\nAs N O F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n0.586714 0.586714 0.690715 O\n0.413286 0.413286 0.309285 O\n0.199463 0.199464 0.787826 F\n0.084202 0.735404 0.783187 F\n0.735404 0.084202 0.783187 F\n0.264596 0.915798 0.216813 F\n0.915798 0.264596 0.216813 F\n0.800537 0.800536 0.212174 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"As",
"N",
"O",
"F"
],
"chemical_system": "As-F-N-O",
"density": 3.0432996444065514,
"density_atomic": 0.07801537706604422,
"volume": 128.17985858780713,
"volume_molar": 7.719171510126693,
"formula_full": "As1 N1 O2 F6",
"formula_reduced": "AsN(OF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2166093695,
"spacegroup": 12
},
{
"id": "jvasp-35842",
"created_at": "2022-09-04T14:37:30.319196Z",
"updated_at": "2022-09-04T14:37:30.319220Z",
"structure_string": "Ce1 Si2 Mo2 C1\n1.0\n4.231966 -0.000000 0.000000\n0.000000 4.231966 0.000000\n0.000000 -0.000000 5.354318\nCe Si Mo C\n1 2 2 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.719612 Si\n0.500000 0.500000 0.280389 Si\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Si",
"Mo",
"C"
],
"chemical_system": "C-Ce-Mo-Si",
"density": 6.929684793695592,
"density_atomic": 0.06256950939218443,
"volume": 95.89335218200482,
"volume_molar": 9.62472107980477,
"formula_full": "Ce1 Si2 Mo2 C1",
"formula_reduced": "CeSi2Mo2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.80980075,
"spacegroup": 123
},
{
"id": "jvasp-57048",
"created_at": "2022-09-04T14:37:30.302384Z",
"updated_at": "2022-09-04T14:37:30.302404Z",
"structure_string": "Rb2 Na1 V1 F6\n1.0\n5.189553 0.000000 2.996190\n1.729851 4.892758 2.996190\n-0.000000 -0.000000 5.992380\nRb Na V F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 V\n0.231340 0.768660 0.768660 F\n0.231340 0.768660 0.231340 F\n0.768659 0.231340 0.768660 F\n0.231340 0.231340 0.768660 F\n0.768659 0.231340 0.231340 F\n0.768659 0.768660 0.231340 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"V",
"F"
],
"chemical_system": "F-Na-Rb-V",
"density": 3.916407156559451,
"density_atomic": 0.06572293760096601,
"volume": 152.15388059363033,
"volume_molar": 9.162920861150743,
"formula_full": "Rb2 Na1 V1 F6",
"formula_reduced": "Rb2NaVF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9519",
"created_at": "2022-09-04T14:37:19.130169Z",
"updated_at": "2022-09-04T14:37:19.130197Z",
"structure_string": "Mg2 Si2 Ni2 O10\n1.0\n4.978610 -0.295159 0.155775\n-1.553098 5.162724 -0.038385\n-1.386975 -2.292177 6.116210\nMg Si Ni O\n2 2 2 10\ndirect\n0.869583 0.720546 0.246794 Mg\n0.136159 0.284098 0.739040 Mg\n0.196966 0.322670 0.236452 Si\n0.808776 0.681979 0.749395 Si\n0.502874 0.002325 0.492926 Ni\n0.502875 0.002330 0.992926 Ni\n0.490473 0.355341 0.142907 O\n0.202439 0.140389 0.401284 O\n0.515269 0.649310 0.842938 O\n0.803304 0.864261 0.584560 O\n0.802438 0.373114 0.615706 O\n0.092128 0.793900 0.970175 O\n0.203305 0.631538 0.370138 O\n0.913614 0.210743 0.015670 O\n0.374609 0.050729 0.740170 O\n0.631140 0.953925 0.245679 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Si",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O-Si",
"density": 4.077883961221881,
"density_atomic": 0.10281547229853379,
"volume": 155.61860138659472,
"volume_molar": 5.857232015152528,
"formula_full": "Mg2 Si2 Ni2 O10",
"formula_reduced": "MgSiNiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.97698719375,
"spacegroup": 2
},
{
"id": "jvasp-47676",
"created_at": "2022-09-04T14:37:19.104711Z",
"updated_at": "2022-09-04T14:37:19.104736Z",
"structure_string": "Li2 Ni2 P2 O8\n1.0\n4.401245 0.030313 0.024279\n-1.000257 -5.053227 0.003025\n-1.735254 0.297251 -7.093364\nLi Ni P O\n2 2 2 8\ndirect\n0.737546 0.704171 0.984005 Li\n0.262453 0.295830 0.015994 Li\n0.974881 0.755503 0.597902 Ni\n0.025117 0.244498 0.402096 Ni\n0.355262 0.816392 0.263091 P\n0.644737 0.183609 0.736907 P\n0.165108 0.623303 0.382443 O\n0.299153 0.086846 0.611895 O\n0.643864 0.329667 0.918218 O\n0.198425 0.060494 0.211452 O\n0.801574 0.939507 0.788547 O\n0.356135 0.670334 0.081780 O\n0.700845 0.913155 0.388103 O\n0.834891 0.376698 0.617556 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.390429043436528,
"density_atomic": 0.08899026088737699,
"volume": 157.3205861000668,
"volume_molar": 6.767190813859297,
"formula_full": "Li2 Ni2 P2 O8",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.065364557142857,
"spacegroup": 2
},
{
"id": "jvasp-30479",
"created_at": "2022-09-04T14:37:07.427039Z",
"updated_at": "2022-09-04T14:37:07.427053Z",
"structure_string": "Lu4 H8 Cl4 O8\n1.0\n12.601651 0.000000 0.000000\n0.000000 3.486115 -0.000000\n0.000000 -0.000000 6.161934\nLu H Cl O\n4 8 4 8\ndirect\n0.051657 0.749999 0.249677 Lu\n0.551658 0.749999 0.250323 Lu\n0.448343 0.249999 0.749676 Lu\n0.948342 0.249999 0.750323 Lu\n0.620270 0.749999 0.810533 H\n0.120271 0.749999 0.689466 H\n0.654650 0.249999 0.545946 H\n0.154650 0.249999 0.954052 H\n0.879730 0.249999 0.310533 H\n0.379729 0.249999 0.189467 H\n0.845349 0.749999 0.045946 H\n0.345349 0.749999 0.454053 H\n0.712325 0.249999 0.115881 Cl\n0.212325 0.249999 0.384118 Cl\n0.787674 0.749999 0.615881 Cl\n0.287675 0.749999 0.884117 Cl\n0.547800 0.749999 0.869980 O\n0.080207 0.249999 0.001387 O\n0.452200 0.249999 0.130019 O\n0.952200 0.249999 0.369981 O\n0.580208 0.249999 0.498613 O\n0.419793 0.749999 0.501387 O\n0.047801 0.749999 0.630019 O\n0.919792 0.749999 0.998612 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Lu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Lu-O",
"density": 5.997713440623095,
"density_atomic": 0.08865945189952136,
"volume": 270.6987183633781,
"volume_molar": 6.792440773066081,
"formula_full": "Lu4 H8 Cl4 O8",
"formula_reduced": "LuH2ClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.7380978029166667,
"spacegroup": 62
},
{
"id": "jvasp-50783",
"created_at": "2022-09-04T14:37:07.345280Z",
"updated_at": "2022-09-04T14:37:07.345294Z",
"structure_string": "Li8 H6 Br2 O6\n1.0\n0.000000 5.395024 -0.059685\n7.481055 0.000000 0.000000\n0.000000 -0.380700 -6.432519\nLi H Br O\n8 6 2 6\ndirect\n0.072854 0.750000 0.919171 Li\n0.349851 0.478733 0.135101 Li\n0.349851 0.021267 0.135101 Li\n0.402312 0.750000 0.686613 Li\n0.597687 0.250000 0.313388 Li\n0.650148 0.978733 0.864900 Li\n0.650148 0.521266 0.864900 Li\n0.927145 0.250000 0.080830 Li\n0.806256 0.535297 0.230968 H\n0.806256 0.964702 0.230968 H\n0.838169 0.750000 0.628914 H\n0.161830 0.250000 0.371087 H\n0.193744 0.035297 0.769033 H\n0.193744 0.464702 0.769033 H\n0.166101 0.750000 0.334217 Br\n0.833898 0.250000 0.665784 Br\n0.289830 0.947530 0.851291 O\n0.289830 0.552469 0.851291 O\n0.244244 0.250000 0.238952 O\n0.755755 0.750000 0.761049 O\n0.710169 0.447530 0.148709 O\n0.710169 0.052469 0.148709 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-Li-O",
"density": 2.0286500763524167,
"density_atomic": 0.08468395144496774,
"volume": 259.7894834217414,
"volume_molar": 7.111312896060969,
"formula_full": "Li8 H6 Br2 O6",
"formula_reduced": "Li4H3BrO3",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.7892149640909083,
"spacegroup": 11
},
{
"id": "jvasp-34732",
"created_at": "2022-09-04T14:37:07.625097Z",
"updated_at": "2022-09-04T14:37:07.625111Z",
"structure_string": "H8 C2 N4 O2\n1.0\n5.029093 0.000000 0.000000\n0.000000 5.029093 -0.000000\n0.000000 0.000000 5.623888\nH C N O\n8 2 4 2\ndirect\n0.830399 0.000000 0.107460 H\n0.500000 0.669600 0.107460 H\n0.669600 0.500000 0.892540 H\n0.000000 0.169600 0.892540 H\n0.330400 0.500000 0.892540 H\n0.169600 0.000000 0.107460 H\n0.500000 0.330400 0.107460 H\n0.000000 0.830399 0.892540 H\n0.500000 0.000000 0.495002 C\n0.000000 0.500000 0.504998 C\n0.000000 0.500000 0.719184 N\n0.500000 0.000000 0.280816 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.290139 O\n0.500000 0.000000 0.709861 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4022135123912776,
"density_atomic": 0.1124874277472109,
"volume": 142.23811780954085,
"volume_molar": 5.3536122930407375,
"formula_full": "H8 C2 N4 O2",
"formula_reduced": "H4CN2O",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.16992,
"spacegroup": 129
},
{
"id": "jvasp-21967",
"created_at": "2022-09-04T14:37:31.630821Z",
"updated_at": "2022-09-04T14:37:31.630837Z",
"structure_string": "Ba2 Yb1 Re1 O6\n1.0\n5.138850 0.000000 2.966916\n1.712950 4.844954 2.966916\n-0.000000 0.000000 5.933832\nYb Ba Re O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 Yb\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Re\n0.231303 0.768697 0.768698 O\n0.231303 0.768697 0.231303 O\n0.768698 0.231302 0.768698 O\n0.231303 0.231302 0.768697 O\n0.768698 0.231302 0.231303 O\n0.768698 0.768697 0.231304 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Re",
"O"
],
"chemical_system": "Ba-O-Re-Yb",
"density": 8.203894535266363,
"density_atomic": 0.06768760607811747,
"volume": 147.73753393581563,
"volume_molar": 8.896962248967586,
"formula_full": "Ba2 Yb1 Re1 O6",
"formula_reduced": "Ba2YbReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.127013164,
"spacegroup": 225
},
{
"id": "jvasp-28672",
"created_at": "2022-09-04T14:37:32.053980Z",
"updated_at": "2022-09-04T14:37:32.054007Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225414 -0.000048 -0.000005\n-1.612749 2.793186 -0.000035\n-0.000051 -0.000442 33.071278\nMo W Se S\n2 2 2 6\ndirect\n0.333259 0.666556 0.091887 Mo\n0.333244 0.666433 0.468224 Mo\n0.666814 0.333575 0.280268 W\n0.666680 0.333442 0.662540 W\n0.333315 0.666694 0.714563 Se\n0.333358 0.666812 0.610471 Se\n0.333411 0.666761 0.327579 S\n0.666587 0.333206 0.044857 S\n0.666515 0.332969 0.421173 S\n0.666616 0.333280 0.138952 S\n0.666668 0.333289 0.515298 S\n0.333524 0.666992 0.232942 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.071026426306089,
"density_atomic": 0.04027621741230963,
"volume": 297.94257681041415,
"volume_molar": 14.952101132911881,
"formula_full": "Mo2 W2 Se2 S6",
"formula_reduced": "MoWSeS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.754304877777777,
"spacegroup": 156
},
{
"id": "jvasp-57054",
"created_at": "2022-09-04T14:37:30.288327Z",
"updated_at": "2022-09-04T14:37:30.288337Z",
"structure_string": "K2 Na2 Ti2 O6\n1.0\n5.480024 0.030424 0.344736\n0.619917 5.076415 2.704234\n0.018014 -0.018538 6.218591\nK Na Ti O\n2 2 2 6\ndirect\n0.250000 0.262333 0.475333 K\n0.750000 0.737665 0.524668 K\n0.250000 0.577466 0.845065 Na\n0.750000 0.422532 0.154935 Na\n0.749999 0.053213 0.893573 Ti\n0.250000 0.946785 0.106426 Ti\n0.495935 0.811284 0.946431 O\n0.995935 0.757716 0.053570 O\n0.004065 0.242282 0.946431 O\n0.504064 0.188713 0.053569 O\n0.250000 0.784865 0.430268 O\n0.749999 0.215133 0.569732 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Na",
"Ti",
"O"
],
"chemical_system": "K-Na-O-Ti",
"density": 3.030165739446543,
"density_atomic": 0.06931702534007612,
"volume": 173.11764232707367,
"volume_molar": 8.687823417774764,
"formula_full": "K2 Na2 Ti2 O6",
"formula_reduced": "KNaTiO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2989043055555554,
"spacegroup": 15
},
{
"id": "jvasp-9990",
"created_at": "2022-09-04T14:37:19.075687Z",
"updated_at": "2022-09-04T14:37:19.075717Z",
"structure_string": "Ca5 B3 O9 F1\n1.0\n3.525148 -0.006944 0.298694\n1.208405 7.182976 3.687086\n-0.012725 0.000763 9.040983\nCa B O F\n5 3 9 1\ndirect\n0.642307 0.204606 -0.000000 Ca\n0.347434 0.698611 0.235476 Ca\n0.347434 0.934087 0.764523 Ca\n0.006099 0.261624 0.356638 Ca\n0.006099 0.618262 0.643362 Ca\n0.591630 0.319928 0.608045 B\n0.591631 0.927974 0.391954 B\n0.965346 0.558531 -0.000001 B\n0.793851 0.141587 0.653693 O\n0.918697 0.571261 0.148460 O\n0.581594 0.406465 0.709741 O\n0.403428 0.408596 0.456442 O\n0.403429 0.865038 0.543558 O\n0.581595 0.116206 0.290259 O\n0.056680 0.386709 0.000000 O\n0.918696 0.719720 0.851539 O\n0.793852 0.795282 0.346306 O\n0.247802 -0.000881 -0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"B",
"O",
"F"
],
"chemical_system": "B-Ca-F-O",
"density": 2.8699016787413947,
"density_atomic": 0.07859539062943194,
"volume": 229.02106415970235,
"volume_molar": 7.662206029859549,
"formula_full": "Ca5 B3 O9 F1",
"formula_reduced": "Ca5B3O9F",
"formula_anonymous": "AB3C5D9",
"energy_above_hull": 2.110897868472222,
"spacegroup": 8
}
]
}