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_anonymous&page=4136",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4134",
"results": [
{
"id": "jvasp-99745",
"created_at": "2022-09-04T14:36:48.130667Z",
"updated_at": "2022-09-04T14:36:48.130694Z",
"structure_string": "Co1 Cu3 Hg1 Se4\n1.0\n5.852915 -0.000000 0.000000\n-0.000000 5.852915 -0.000000\n-0.000000 -0.000000 5.852915\nCo Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226182 0.226182 0.226182 Se\n0.773819 0.773819 0.226182 Se\n0.226182 0.773819 0.773819 Se\n0.773819 0.226182 0.773819 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Co-Cu-Hg-Se",
"density": 6.343981290412724,
"density_atomic": 0.044887545496044595,
"volume": 200.50104991356818,
"volume_molar": 13.41606161230326,
"formula_full": "Co1 Cu3 Hg1 Se4",
"formula_reduced": "CoCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7702467018518515,
"spacegroup": 215
},
{
"id": "jvasp-103791",
"created_at": "2022-09-04T14:36:58.983588Z",
"updated_at": "2022-09-04T14:36:58.983607Z",
"structure_string": "H8 C6 S2 O2\n1.0\n4.692094 -0.084760 1.114895\n0.934464 5.437794 1.548088\n0.192656 -0.032521 6.999779\nH C S O\n8 6 2 2\ndirect\n0.354781 0.956668 0.850772 H\n0.570761 0.461517 0.689388 H\n0.487799 0.305526 0.946424 H\n0.430903 0.109097 0.591347 H\n0.354666 0.456649 0.350777 H\n0.570634 0.961498 0.189398 H\n0.487677 0.805509 0.446433 H\n0.430759 0.609091 0.091358 H\n0.862929 0.132351 0.768103 C\n0.862806 0.632337 0.268107 C\n0.359476 0.637016 0.246670 C\n0.561711 0.277932 0.790219 C\n0.359601 0.137033 0.746657 C\n0.561589 0.777914 0.290229 C\n0.935511 0.344156 0.249112 S\n0.935617 0.844155 0.749143 S\n0.062639 0.265700 0.768252 O\n0.062513 0.765673 0.268280 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6427945763902037,
"density_atomic": 0.10103258777587025,
"volume": 178.16033812705098,
"volume_molar": 5.9605924113905315,
"formula_full": "H8 C6 S2 O2",
"formula_reduced": "H4C3SO",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 4.277704833333332,
"spacegroup": 1
},
{
"id": "jvasp-106800",
"created_at": "2022-09-04T14:36:57.334590Z",
"updated_at": "2022-09-04T14:36:57.334599Z",
"structure_string": "K3 S1 O4 F1\n1.0\n5.379390 -0.000000 0.000000\n0.000000 5.379390 0.000000\n-0.000000 -0.000000 5.379390\nK S O F\n3 1 4 1\ndirect\n0.500000 0.000000 -0.000000 K\n0.000000 0.000000 0.500000 K\n-0.000000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 S\n0.339676 0.339676 0.660324 O\n0.339676 0.660324 0.339676 O\n0.660324 0.339676 0.339676 O\n0.660324 0.660324 0.660324 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"S",
"O",
"F"
],
"chemical_system": "F-K-O-S",
"density": 2.4785844123543557,
"density_atomic": 0.057815384135711724,
"volume": 155.667909753467,
"volume_molar": 10.416156270559503,
"formula_full": "K3 S1 O4 F1",
"formula_reduced": "K3SO4F",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.8880142536111114,
"spacegroup": 215
},
{
"id": "jvasp-104832",
"created_at": "2022-09-04T14:36:58.819161Z",
"updated_at": "2022-09-04T14:36:58.819177Z",
"structure_string": "Cr1 Cd1 Cu3 Se4\n1.0\n5.832145 -0.000000 0.000000\n0.000000 5.832145 0.000000\n0.000000 -0.000000 5.832145\nCr Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.237465 0.237465 0.237465 Se\n0.762536 0.762536 0.237465 Se\n0.237465 0.762536 0.762536 Se\n0.762536 0.237465 0.762536 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cr",
"Cd",
"Cu",
"Se"
],
"chemical_system": "Cd-Cr-Cu-Se",
"density": 5.615808697162921,
"density_atomic": 0.045368829059567815,
"volume": 198.3740860532964,
"volume_molar": 13.27374077054782,
"formula_full": "Cr1 Cd1 Cu3 Se4",
"formula_reduced": "CrCdCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.920685774074074,
"spacegroup": 215
},
{
"id": "jvasp-104829",
"created_at": "2022-09-04T14:36:58.398652Z",
"updated_at": "2022-09-04T14:36:58.398661Z",
"structure_string": "V1 Cu3 Hg1 Se4\n1.0\n5.949806 0.000000 0.000000\n0.000000 5.949806 0.000000\n-0.000000 0.000000 5.949806\nV Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226779 0.226779 0.226779 Se\n0.773221 0.773221 0.226779 Se\n0.226779 0.773221 0.773221 Se\n0.773221 0.226779 0.773221 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"V",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Cu-Hg-Se-V",
"density": 5.976065242324978,
"density_atomic": 0.04273011813624408,
"volume": 210.62427141679527,
"volume_molar": 14.093433443826507,
"formula_full": "V1 Cu3 Hg1 Se4",
"formula_reduced": "VCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.8893170685185184,
"spacegroup": 215
},
{
"id": "jvasp-104833",
"created_at": "2022-09-04T14:36:43.847964Z",
"updated_at": "2022-09-04T14:36:43.847981Z",
"structure_string": "Cr1 Cu3 Hg1 Se4\n1.0\n5.919983 0.000000 0.000000\n0.000000 5.919983 0.000000\n-0.000000 -0.000000 5.919983\nCr Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226074 0.226074 0.226074 Se\n0.773926 0.773926 0.226074 Se\n0.226074 0.773926 0.773926 Se\n0.773926 0.226074 0.773926 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cr",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Cr-Cu-Hg-Se",
"density": 6.075278208494171,
"density_atomic": 0.04337915926510071,
"volume": 207.47290063873268,
"volume_molar": 13.882566794799358,
"formula_full": "Cr1 Cu3 Hg1 Se4",
"formula_reduced": "CrCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.9598485351851856,
"spacegroup": 215
},
{
"id": "jvasp-24241",
"created_at": "2022-09-04T14:38:32.418633Z",
"updated_at": "2022-09-04T14:38:32.418650Z",
"structure_string": "K2 Li6 Pb2 O8\n1.0\n-5.945894 0.011567 -0.008287\n-0.178532 -5.976161 0.032738\n2.154909 1.967301 6.315576\nK Li Pb O\n2 6 2 8\ndirect\n0.510631 0.990885 0.250460 K\n0.489368 0.009115 0.749540 K\n0.051394 0.126934 0.906605 Li\n0.948605 0.873066 0.093395 Li\n0.681883 0.459196 0.153802 Li\n0.064498 0.165351 0.447043 Li\n0.935501 0.834649 0.552957 Li\n0.318116 0.540804 0.846199 Li\n0.241314 0.494525 0.295033 Pb\n0.758685 0.505475 0.704968 Pb\n0.359504 0.361582 0.566709 O\n0.879754 0.168000 0.633405 O\n0.120245 0.832000 0.366595 O\n0.656097 0.673791 0.973183 O\n0.343902 0.326209 0.026818 O\n0.065461 0.769228 0.835324 O\n0.934538 0.230772 0.164676 O\n0.640495 0.638418 0.433292 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Pb",
"O"
],
"chemical_system": "K-Li-O-Pb",
"density": 4.893775042350554,
"density_atomic": 0.08010385981197415,
"volume": 224.7082730126983,
"volume_molar": 7.51791583343877,
"formula_full": "K2 Li6 Pb2 O8",
"formula_reduced": "KLi3PbO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.2604636466666663,
"spacegroup": 2
},
{
"id": "jvasp-95283",
"created_at": "2022-09-04T14:35:57.026841Z",
"updated_at": "2022-09-04T14:35:57.026861Z",
"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Al",
"N"
],
"chemical_system": "Al-Li-N-Sr",
"density": 3.65867170464208,
"density_atomic": 0.08564559886062445,
"volume": 420.3368355049356,
"volume_molar": 7.031465527843578,
"formula_full": "Sr4 Li4 Al12 N16",
"formula_reduced": "SrLiAl3N4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 3.239366412222222,
"spacegroup": 2
},
{
"id": "jvasp-25611",
"created_at": "2022-09-04T14:37:42.642926Z",
"updated_at": "2022-09-04T14:37:42.642948Z",
"structure_string": "K2 Ba8 Sb6 O2\n1.0\n8.032492 -0.000000 -3.771501\n-1.770836 7.834862 -3.771501\n-0.002652 -0.003320 10.433845\nK Ba Sb O\n2 8 6 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 -0.000000 K\n0.186207 0.006163 0.692370 Ba\n0.006163 0.506163 0.692370 Ba\n0.686207 0.186207 0.692370 Ba\n0.313793 0.813793 0.307630 Ba\n0.993837 0.493837 0.307630 Ba\n0.813792 0.993837 0.307630 Ba\n0.493837 0.313793 0.307630 Ba\n0.506163 0.686207 0.692369 Ba\n0.117075 0.382925 -0.000000 Sb\n0.750000 0.750000 0.500000 Sb\n0.382924 0.882924 -0.000000 Sb\n0.617075 0.117075 -0.000000 Sb\n0.882924 0.617075 -0.000000 Sb\n0.250000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-K-O-Sb",
"density": 4.905881873887549,
"density_atomic": 0.02742076126937194,
"volume": 656.4369173843977,
"volume_molar": 21.961975091940744,
"formula_full": "K2 Ba8 Sb6 O2",
"formula_reduced": "KBa4Sb3O",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.5421492977777778,
"spacegroup": 140
},
{
"id": "jvasp-122531",
"created_at": "2022-09-04T14:38:51.026999Z",
"updated_at": "2022-09-04T14:38:51.027029Z",
"structure_string": "Li6 Cr2 Cl2 O8\n1.0\n6.734423 -0.000000 0.000000\n0.000000 6.734423 0.000000\n-0.000000 -0.000000 4.789999\nLi Cr Cl O\n6 2 2 8\ndirect\n0.500000 0.000000 0.156141 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n-0.000000 0.500000 0.843859 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.322447 Cl\n0.500000 0.000000 0.677553 Cl\n0.196453 0.000000 0.210373 O\n0.803547 0.000000 0.210373 O\n-0.000000 0.196453 0.789627 O\n0.500000 0.303547 0.210373 O\n0.303547 0.500000 0.789627 O\n0.696452 0.500000 0.789627 O\n0.500000 0.696452 0.210373 O\n-0.000000 0.803547 0.789627 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-Li-O",
"density": 2.6336119521447383,
"density_atomic": 0.08285835349840037,
"volume": 217.23820520217674,
"volume_molar": 7.267994723207069,
"formula_full": "Li6 Cr2 Cl2 O8",
"formula_reduced": "Li3CrClO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.943816163055556,
"spacegroup": 129
},
{
"id": "jvasp-32416",
"created_at": "2022-09-04T14:38:02.971640Z",
"updated_at": "2022-09-04T14:38:02.971659Z",
"structure_string": "H20 C6 N2 Cl2 O8\n1.0\n5.418339 -0.096890 0.000000\n-1.682744 7.404524 0.000000\n0.000000 0.000000 8.585027\nH C N Cl O\n20 6 2 2 8\ndirect\n0.947020 0.733653 0.496581 H\n0.141002 0.613903 0.388518 H\n0.052798 0.266291 0.505312 H\n0.293266 0.081602 0.855806 H\n0.770026 0.142641 0.900306 H\n0.052981 0.266347 0.996581 H\n0.769914 0.142622 0.601678 H\n0.230087 0.857377 0.101677 H\n0.706728 0.918396 0.146081 H\n0.293273 0.081604 0.646081 H\n0.858918 0.386078 0.613423 H\n0.141083 0.613921 0.113423 H\n0.238525 0.359438 0.750928 H\n0.858999 0.386096 0.888518 H\n0.706735 0.918398 0.355806 H\n0.761476 0.640562 0.250928 H\n0.984090 0.036367 0.250942 H\n0.015911 0.963632 0.750942 H\n0.229974 0.857358 0.400306 H\n0.947202 0.733709 0.005312 H\n0.070441 0.737387 0.394997 C\n0.821994 0.918277 0.250943 C\n0.929560 0.262612 0.894997 C\n0.929459 0.262589 0.606934 C\n0.178007 0.081722 0.750944 C\n0.070542 0.737411 0.106934 C\n0.079875 0.249911 0.750946 N\n0.920126 0.750089 0.250946 N\n0.476163 0.703747 0.750921 Cl\n0.523838 0.296252 0.250921 Cl\n0.580022 0.805498 0.612541 O\n0.200186 0.669949 0.750929 O\n0.419979 0.194502 0.112541 O\n0.419964 0.194493 0.389291 O\n0.799814 0.330051 0.250929 O\n0.545797 0.527745 0.750923 O\n0.580037 0.805506 0.889291 O\n0.454204 0.472254 0.250923 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-O",
"density": 1.5448651480692648,
"density_atomic": 0.11077636243552737,
"volume": 343.03346999786413,
"volume_molar": 5.436304846627301,
"formula_full": "H20 C6 N2 Cl2 O8",
"formula_reduced": "H10C3NClO4",
"formula_anonymous": "ABC3D4E10",
"energy_above_hull": 3.8872827009210527,
"spacegroup": 11
},
{
"id": "jvasp-48932",
"created_at": "2022-09-04T14:35:52.588779Z",
"updated_at": "2022-09-04T14:35:52.588809Z",
"structure_string": "Li3 V1 Cr1 P4 O14\n1.0\n4.942688 -0.007049 0.022689\n-2.258042 6.635253 -0.010769\n-0.021402 -0.078883 8.180230\nLi V Cr P O\n3 1 1 4 14\ndirect\n0.829131 0.341626 0.137896 Li\n0.284692 0.092379 0.335758 Li\n0.167264 0.661842 0.648065 Li\n0.793840 0.277505 0.506680 V\n0.216066 0.727485 0.995185 Cr\n0.596348 0.477959 0.823477 P\n0.797105 0.913662 0.206607 P\n0.210744 0.082384 0.717254 P\n0.394673 0.522671 0.316375 P\n0.196828 0.497371 0.462993 O\n0.234780 0.512102 0.154853 O\n0.381753 0.593897 0.822596 O\n0.613603 0.912981 0.059327 O\n0.621678 0.745639 0.336620 O\n0.417798 0.241374 0.845943 O\n0.799113 0.525551 0.970498 O\n0.562530 0.371183 0.313060 O\n0.753526 0.499619 0.660156 O\n0.139444 0.879961 0.803198 O\n0.876632 0.113389 0.304280 O\n0.952288 0.147123 0.685081 O\n0.383126 0.080125 0.559295 O\n0.082668 0.877266 0.173699 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 2.9206940817296223,
"density_atomic": 0.08577238858659052,
"volume": 268.15156228021584,
"volume_molar": 7.0210715350668105,
"formula_full": "Li3 V1 Cr1 P4 O14",
"formula_reduced": "Li3VCr(P2O7)2",
"formula_anonymous": "ABC3D4E14",
"energy_above_hull": 3.04739967826087,
"spacegroup": 1
}
]
}