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{
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"results": [
{
"id": "jvasp-39194",
"created_at": "2022-09-04T14:37:53.459368Z",
"updated_at": "2022-09-04T14:37:53.459383Z",
"structure_string": "K1 Lu1\n1.0\n1.770644 -3.066846 -0.000000\n1.770644 3.066846 0.000000\n-0.000000 -0.000000 6.997675\nK Lu\n1 1\ndirect\n0.333332 0.666666 0.000000 K\n0.666666 0.333332 0.500000 Lu\n",
"nsites": 2,
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"K",
"Lu"
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"density": 4.677226338337261,
"density_atomic": 0.02631618985943098,
"volume": 75.99884370355598,
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"formula_full": "K1 Lu1",
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{
"id": "jvasp-2349",
"created_at": "2022-09-04T14:36:41.251967Z",
"updated_at": "2022-09-04T14:36:41.251987Z",
"structure_string": "K2 Li2 Te2\n1.0\n4.800773 0.000000 0.000000\n0.000000 4.800773 0.000000\n0.000000 0.000000 7.675412\nK Li Te\n2 2 2\ndirect\n0.500000 0.000000 0.662780 K\n0.000000 0.500000 0.337220 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.200080 Te\n0.000000 0.500000 0.799920 Te\n",
"nsites": 6,
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"volume": 176.89845476365088,
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"formula_full": "K2 Li2 Te2",
"formula_reduced": "KLiTe",
"formula_anonymous": "ABC",
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"spacegroup": 129
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{
"id": "jvasp-43091",
"created_at": "2022-09-04T14:35:55.046616Z",
"updated_at": "2022-09-04T14:35:55.046645Z",
"structure_string": "K1 Li1 Zn1 S2\n1.0\n0.000000 3.942791 0.000000\n1.971395 -1.971395 6.580111\n3.942791 0.000000 0.000000\nK Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.249999 0.500000 0.250001 Li\n0.749999 0.500000 0.750000 Zn\n0.646048 0.292097 0.353952 S\n0.353950 0.707903 0.646049 S\n",
"nsites": 5,
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"elements": [
"K",
"Li",
"Zn",
"S"
],
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"density": 2.8502253889551357,
"density_atomic": 0.04887978325324156,
"volume": 102.29177928419752,
"volume_molar": 12.32030986880579,
"formula_full": "K1 Li1 Zn1 S2",
"formula_reduced": "KLiZnS2",
"formula_anonymous": "ABCD2",
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"spacegroup": 119
},
{
"id": "jvasp-20944",
"created_at": "2022-09-04T14:38:29.932255Z",
"updated_at": "2022-09-04T14:38:29.932279Z",
"structure_string": "K28 Li4 Si32\n1.0\n12.454053 0.000000 -0.000000\n0.000000 12.454053 0.000000\n-0.000000 0.000000 12.454053\nK Li Si\n28 4 32\ndirect\n0.274068 0.811023 0.043875 K\n0.688976 0.956125 0.774068 K\n0.774068 0.688976 0.956125 K\n0.956125 0.774068 0.688976 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.188977 0.956125 0.725932 K\n0.688976 0.543875 0.274068 K\n0.811023 0.456125 0.774068 K\n0.543875 0.274068 0.688976 K\n0.774068 0.811023 0.456125 K\n0.725932 0.188977 0.956125 K\n0.274068 0.688976 0.543875 K\n0.543875 0.225932 0.188977 K\n0.456125 0.774068 0.811023 K\n0.043875 0.225932 0.311023 K\n0.225932 0.311023 0.043875 K\n0.311023 0.043875 0.225932 K\n0.811023 0.043875 0.274068 K\n0.311023 0.456125 0.725932 K\n0.188977 0.543875 0.225932 K\n0.456125 0.725932 0.311023 K\n0.225932 0.188977 0.543875 K\n0.725932 0.311023 0.456125 K\n0.043875 0.274068 0.811023 K\n0.956125 0.725932 0.188977 K\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.051864 0.700074 0.932802 Si\n0.303178 0.196822 0.803178 Si\n0.196822 0.803178 0.303178 Si\n0.803178 0.303178 0.196822 Si\n0.696822 0.696822 0.696822 Si\n0.696822 0.803178 0.196822 Si\n0.700074 0.567198 0.551864 Si\n0.196822 0.696822 0.803178 Si\n0.303178 0.303178 0.303178 Si\n0.432802 0.051864 0.799926 Si\n0.932802 0.448136 0.200074 Si\n0.567198 0.551864 0.700074 Si\n0.448136 0.200074 0.932802 Si\n0.700074 0.932802 0.051864 Si\n0.803178 0.196822 0.696822 Si\n0.200074 0.932802 0.448136 Si\n0.799926 0.432802 0.051864 Si\n0.551864 0.700074 0.567198 Si\n0.948136 0.299926 0.067198 Si\n0.299926 0.067198 0.948136 Si\n0.067198 0.948136 0.299926 Si\n0.567198 0.948136 0.200074 Si\n0.067198 0.551864 0.799926 Si\n0.432802 0.448136 0.299926 Si\n0.551864 0.799926 0.067198 Si\n0.299926 0.432802 0.448136 Si\n0.799926 0.067198 0.551864 Si\n0.948136 0.200074 0.567198 Si\n0.200074 0.567198 0.948136 Si\n0.051864 0.799926 0.432802 Si\n0.448136 0.299926 0.432802 Si\n0.932802 0.051864 0.700074 Si\n",
"nsites": 64,
"nelements": 3,
"elements": [
"K",
"Li",
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],
"chemical_system": "K-Li-Si",
"density": 1.7375508262316541,
"density_atomic": 0.03313201468740828,
"volume": 1931.6664140053942,
"volume_molar": 18.176198510163935,
"formula_full": "K28 Li4 Si32",
"formula_reduced": "K7LiSi8",
"formula_anonymous": "AB7C8",
"energy_above_hull": 1.4929690499999997,
"spacegroup": 205
},
{
"id": "jvasp-2862",
"created_at": "2022-09-04T14:36:31.206559Z",
"updated_at": "2022-09-04T14:36:31.206599Z",
"structure_string": "K2 Li2 Se2\n1.0\n4.475019 0.000000 0.000000\n0.000000 4.475019 0.000000\n0.000000 0.000000 7.201205\nK Li Se\n2 2 2\ndirect\n0.500000 0.000000 0.659098 K\n0.000000 0.500000 0.340901 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.193083 Se\n0.000000 0.500000 0.806916 Se\n",
"nsites": 6,
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"elements": [
"K",
"Li",
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],
"chemical_system": "K-Li-Se",
"density": 2.878669010605908,
"density_atomic": 0.0416060329681276,
"volume": 144.20985544563487,
"volume_molar": 14.474200807881095,
"formula_full": "K2 Li2 Se2",
"formula_reduced": "KLiSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-93844",
"created_at": "2022-09-04T14:36:10.245621Z",
"updated_at": "2022-09-04T14:36:10.245650Z",
"structure_string": "K2 Li2 S2\n1.0\n-2.087484 -3.615617 0.000000\n-2.087484 3.615617 -0.000000\n0.000000 0.000000 -8.921886\nK Li S\n2 2 2\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.333329 0.666669 0.750000 Li\n0.666669 0.333329 0.250000 Li\n0.666661 0.333337 0.750000 S\n0.333337 0.666661 0.250000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Li",
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],
"chemical_system": "K-Li-S",
"density": 1.9260244547672456,
"density_atomic": 0.044551159325999595,
"volume": 134.67662998611266,
"volume_molar": 13.517360380980122,
"formula_full": "K2 Li2 S2",
"formula_reduced": "KLiS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.043266,
"spacegroup": 194
},
{
"id": "jvasp-2820",
"created_at": "2022-09-04T14:36:54.817615Z",
"updated_at": "2022-09-04T14:36:54.817642Z",
"structure_string": "K2 Li2 S2\n1.0\n4.289249 0.000000 0.000000\n0.000000 4.289249 0.000000\n0.000000 0.000000 6.929193\nK Li S\n2 2 2\ndirect\n0.000000 0.500000 0.657664 K\n0.500000 0.000000 0.342336 K\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.188456 S\n0.500000 0.000000 0.811544 S\n",
"nsites": 6,
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"elements": [
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"density": 2.0347397163302507,
"density_atomic": 0.047065868278460155,
"volume": 127.48091598994083,
"volume_molar": 12.795133671752641,
"formula_full": "K2 Li2 S2",
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"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-22864",
"created_at": "2022-09-04T14:37:34.872068Z",
"updated_at": "2022-09-04T14:37:34.872088Z",
"structure_string": "K2 Li14 Zr3 O14\n1.0\n6.518632 0.000000 -3.218633\n-1.825616 6.610184 -3.697383\n0.005120 0.008388 8.220713\nK Li Zr O\n2 14 3 14\ndirect\n0.764093 0.500000 0.000000 K\n0.235906 0.500000 -0.000000 K\n0.408002 0.976126 0.270507 Li\n0.862505 0.294381 0.270507 Li\n0.591997 0.705618 0.729493 Li\n0.770775 0.129173 0.541551 Li\n0.229224 0.870826 0.458449 Li\n0.137494 0.705618 0.729493 Li\n0.500000 0.154272 0.000000 Li\n0.499999 0.845728 -0.000000 Li\n0.137495 0.023874 0.729493 Li\n0.408002 0.294381 0.270507 Li\n0.591997 0.023874 0.729493 Li\n0.862504 0.976126 0.270507 Li\n0.770775 0.412378 0.541551 Li\n0.229224 0.587622 0.458449 Li\n0.000000 0.000000 0.000000 Zr\n0.727528 0.727528 0.455057 Zr\n0.272471 0.272471 0.544943 Zr\n0.371492 0.161866 0.742984 O\n0.032430 0.745655 0.491310 O\n0.541120 0.254344 0.508690 O\n0.967569 0.254344 0.508690 O\n0.458879 0.745655 0.491310 O\n0.711530 -0.000000 0.000000 O\n0.288470 -0.000000 0.000000 O\n0.872229 0.691022 0.744461 O\n0.127770 0.308978 0.255539 O\n0.127769 0.946562 0.255539 O\n0.628507 0.418881 0.257016 O\n0.872230 0.053438 0.744461 O\n0.371492 0.581118 0.742984 O\n0.628507 0.838134 0.257016 O\n",
"nsites": 33,
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"elements": [
"K",
"Li",
"Zr",
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],
"chemical_system": "K-Li-O-Zr",
"density": 3.1518468590233786,
"density_atomic": 0.09306637904931835,
"volume": 354.5856230477434,
"volume_molar": 6.470801616563064,
"formula_full": "K2 Li14 Zr3 O14",
"formula_reduced": "K2Li14Zr3O14",
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"energy_above_hull": 2.0571617727272726,
"spacegroup": 71
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{
"id": "jvasp-102734",
"created_at": "2022-09-04T14:36:56.771343Z",
"updated_at": "2022-09-04T14:36:56.771365Z",
"structure_string": "K1 Li1 Zn3 O4\n1.0\n4.489734 0.006398 4.073007\n3.245865 3.101953 4.073007\n0.036289 0.014582 8.178464\nK Li Zn O\n1 1 3 4\ndirect\n0.995083 0.995085 -0.001207 K\n0.181750 0.181750 0.188298 Li\n0.800841 0.800841 0.841848 Zn\n0.630468 0.630468 0.532448 Zn\n0.375924 0.375924 0.442689 Zn\n0.240701 0.240700 0.359654 O\n0.766682 0.766682 0.637011 O\n0.405503 0.405503 0.820983 O\n0.603043 0.603043 0.178284 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.492617428605132,
"density_atomic": 0.07950547580278035,
"volume": 113.19975019488237,
"volume_molar": 7.574498107449101,
"formula_full": "K1 Li1 Zn3 O4",
"formula_reduced": "KLiZn3O4",
"formula_anonymous": "ABC3D4",
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"spacegroup": 8
},
{
"id": "jvasp-26383",
"created_at": "2022-09-04T14:37:50.937705Z",
"updated_at": "2022-09-04T14:37:50.937723Z",
"structure_string": "K2 Li2 Zn2 O4\n1.0\n3.266551 -0.000037 0.754496\n1.417210 5.330220 1.312688\n0.001496 -0.002614 7.443889\nK Li Zn O\n2 2 2 4\ndirect\n0.162315 0.305953 0.369306 K\n0.837686 0.694047 0.630695 K\n0.658895 0.627409 0.054787 Li\n0.341106 0.372590 0.945214 Li\n0.954316 0.906660 0.184668 Zn\n0.045684 0.093339 0.815333 Zn\n0.537115 0.233820 0.692049 O\n0.462886 0.766180 0.307952 O\n0.163019 0.736166 0.937827 O\n0.836981 0.263834 0.062174 O\n",
"nsites": 10,
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],
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"density": 3.67558998335208,
"density_atomic": 0.07715359970135903,
"volume": 129.61158051869683,
"volume_molar": 7.805391820096661,
"formula_full": "K2 Li2 Zn2 O4",
"formula_reduced": "KLiZnO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
},
{
"id": "jvasp-57404",
"created_at": "2022-09-04T14:38:33.843377Z",
"updated_at": "2022-09-04T14:38:33.843390Z",
"structure_string": "K4 Li2 V2 O8\n1.0\n5.688623 0.007788 0.019785\n0.439412 5.671631 0.019785\n0.004035 0.003739 7.520222\nK Li V O\n4 2 2 8\ndirect\n0.702403 0.702405 0.824954 K\n0.784067 0.215933 0.500001 K\n0.297595 0.297596 0.175047 K\n0.215932 0.784068 0.500001 K\n0.823373 0.176626 0.000001 Li\n0.176626 0.823374 0.000001 Li\n0.713782 0.713783 0.245399 V\n0.286216 0.286217 0.754602 V\n0.205040 0.569027 0.829125 O\n0.092924 0.092925 0.840722 O\n0.569026 0.205042 0.829125 O\n0.907074 0.907075 0.159279 O\n0.279235 0.279235 0.524252 O\n0.430972 0.794959 0.170876 O\n0.794958 0.430973 0.170876 O\n0.720764 0.720765 0.475749 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "K-Li-O-V",
"density": 2.738907709988255,
"density_atomic": 0.06595105882453492,
"volume": 242.6041413917031,
"volume_molar": 9.131226802623615,
"formula_full": "K4 Li2 V2 O8",
"formula_reduced": "K2LiVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.562960525,
"spacegroup": 12
},
{
"id": "jvasp-57488",
"created_at": "2022-09-04T14:36:32.592893Z",
"updated_at": "2022-09-04T14:36:32.592919Z",
"structure_string": "K2 Li4 U1 O6\n1.0\n3.022057 -5.234355 0.000000\n3.022057 5.234355 -0.000000\n0.000000 -0.000000 5.580856\nK Li U O\n2 4 1 6\ndirect\n0.333333 0.666668 0.544906 K\n0.666668 0.333333 0.455095 K\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 U\n0.669287 0.834643 0.208289 O\n0.330714 0.165358 0.791712 O\n0.834643 0.669287 0.791712 O\n0.165358 0.834643 0.208289 O\n0.834643 0.165358 0.791712 O\n0.165358 0.330714 0.208289 O\n",
"nsites": 13,
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],
"chemical_system": "K-Li-O-U",
"density": 4.138007075136943,
"density_atomic": 0.07362862916508156,
"volume": 176.56175522231862,
"volume_molar": 8.179074944472829,
"formula_full": "K2 Li4 U1 O6",
"formula_reduced": "K2Li4UO6",
"formula_anonymous": "AB2C4D6",
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"spacegroup": 164
}
]
}