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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=545",
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"results": [
{
"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-35154",
"created_at": "2022-09-04T14:38:14.943291Z",
"updated_at": "2022-09-04T14:38:14.943302Z",
"structure_string": "K6 Li2 P4 O14\n1.0\n-3.028928 -4.664663 0.000000\n-3.028928 4.664663 0.000000\n0.000000 0.000000 -13.327163\nK Li P O\n6 2 4 14\ndirect\n0.864344 0.864344 0.500000 K\n0.135657 0.135657 0.000000 K\n0.535307 0.221655 0.376491 K\n0.221655 0.535307 0.623509 K\n0.464694 0.778346 0.876491 K\n0.778346 0.464694 0.123509 K\n0.011333 0.988668 0.250000 Li\n0.988668 0.011333 0.750000 Li\n0.443587 0.826530 0.154799 P\n0.826530 0.443587 0.845202 P\n0.173470 0.556414 0.345201 P\n0.556414 0.173470 0.654798 P\n0.745369 0.943295 0.146983 O\n0.303905 0.657019 0.065017 O\n0.657019 0.303905 0.934983 O\n0.696096 0.342982 0.565017 O\n0.342982 0.696096 0.434983 O\n0.943295 0.745369 0.853016 O\n0.964330 0.659443 0.318297 O\n0.056705 0.254632 0.353016 O\n0.340558 0.035670 0.181702 O\n0.035670 0.340558 0.818297 O\n0.659443 0.964330 0.681702 O\n0.379160 0.620841 0.250000 O\n0.254632 0.056705 0.646983 O\n0.620841 0.379160 0.750000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"Li",
"P",
"O"
],
"chemical_system": "K-Li-O-P",
"density": 2.629538566067067,
"density_atomic": 0.06903930637176077,
"volume": 376.59706283831974,
"volume_molar": 8.722771239288178,
"formula_full": "K6 Li2 P4 O14",
"formula_reduced": "K3LiP2O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.7716707307692308,
"spacegroup": 20
},
{
"id": "jvasp-108574",
"created_at": "2022-09-04T14:38:06.473944Z",
"updated_at": "2022-09-04T14:38:06.473976Z",
"structure_string": "K2 Li1 Nd1 I6\n1.0\n7.317237 0.000000 4.224609\n2.439079 6.898758 4.224609\n0.000000 0.000000 8.449218\nK Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742582 0.257418 0.257418 I\n0.257418 0.257418 0.742582 I\n0.257418 0.742582 0.742582 I\n0.257418 0.742582 0.257418 I\n0.742582 0.257418 0.742582 I\n0.742582 0.742582 0.257418 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"I"
],
"chemical_system": "I-K-Li-Nd",
"density": 3.8574771432573485,
"density_atomic": 0.023445821377707992,
"volume": 426.5152343738267,
"volume_molar": 25.685347776835744,
"formula_full": "K2 Li1 Nd1 I6",
"formula_reduced": "K2LiNdI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104505",
"created_at": "2022-09-04T14:36:43.168782Z",
"updated_at": "2022-09-04T14:36:43.168802Z",
"structure_string": "K2 Li1 Nd1 F6\n1.0\n5.261335 -0.000000 3.037633\n1.753778 4.960434 3.037633\n-0.000000 -0.000000 6.075266\nK Li Nd F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.736913 0.263087 0.263087 F\n0.263087 0.263087 0.736913 F\n0.263087 0.736913 0.736913 F\n0.263087 0.736913 0.263087 F\n0.736913 0.263087 0.736913 F\n0.736913 0.736913 0.263087 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"F"
],
"chemical_system": "F-K-Li-Nd",
"density": 3.5960899113034652,
"density_atomic": 0.06306945402346091,
"volume": 158.55536019512942,
"volume_molar": 9.548426973475705,
"formula_full": "K2 Li1 Nd1 F6",
"formula_reduced": "K2LiNdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110662",
"created_at": "2022-09-04T14:38:36.539043Z",
"updated_at": "2022-09-04T14:38:36.539071Z",
"structure_string": "K2 Li1 Nd1 Cl6\n1.0\n6.367488 -0.000000 3.676271\n2.122496 6.003325 3.676271\n-0.000000 -0.000000 7.352541\nK Li Nd Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.740221 0.259779 0.259779 Cl\n0.259780 0.259779 0.740220 Cl\n0.259780 0.740220 0.740220 Cl\n0.259780 0.740220 0.259779 Cl\n0.740221 0.259779 0.740220 Cl\n0.740221 0.740220 0.259779 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"Cl"
],
"chemical_system": "Cl-K-Li-Nd",
"density": 2.6119797724090033,
"density_atomic": 0.0355797223444679,
"volume": 281.0589667671998,
"volume_molar": 16.925766597322394,
"formula_full": "K2 Li1 Nd1 Cl6",
"formula_reduced": "K2LiNdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103164",
"created_at": "2022-09-04T14:36:43.966797Z",
"updated_at": "2022-09-04T14:36:43.966807Z",
"structure_string": "K2 Li1 Nd1 Br6\n1.0\n6.738607 -0.000000 3.890536\n2.246203 6.353219 3.890536\n-0.000000 -0.000000 7.781072\nK Li Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.741058 0.258942 0.258943 Br\n0.258942 0.258942 0.741058 Br\n0.258942 0.741058 0.741058 Br\n0.258942 0.741058 0.258943 Br\n0.741058 0.258942 0.741058 Br\n0.741058 0.741058 0.258943 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"Br"
],
"chemical_system": "Br-K-Li-Nd",
"density": 3.533227673767794,
"density_atomic": 0.030019026985627754,
"volume": 333.12205638069855,
"volume_molar": 20.06107913785223,
"formula_full": "K2 Li1 Nd1 Br6",
"formula_reduced": "K2LiNdBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110348",
"created_at": "2022-09-04T14:38:39.235143Z",
"updated_at": "2022-09-04T14:38:39.235172Z",
"structure_string": "K2 Li1 Mo1 Cl6\n1.0\n6.059880 -0.000000 3.498673\n2.019960 5.713309 3.498673\n0.000000 0.000000 6.997346\nK Li Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.753055 0.246945 0.246945 Cl\n0.246945 0.246945 0.753055 Cl\n0.246945 0.753055 0.753054 Cl\n0.246945 0.753055 0.246945 Cl\n0.753055 0.246945 0.753054 Cl\n0.753055 0.753055 0.246945 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Mo",
"Cl"
],
"chemical_system": "Cl-K-Li-Mo",
"density": 2.6991987882131556,
"density_atomic": 0.04127764517292326,
"volume": 242.26188190017348,
"volume_molar": 14.589351535853408,
"formula_full": "K2 Li1 Mo1 Cl6",
"formula_reduced": "K2LiMoCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.4910096304999999,
"spacegroup": 225
},
{
"id": "jvasp-110668",
"created_at": "2022-09-04T14:38:37.530663Z",
"updated_at": "2022-09-04T14:38:37.530696Z",
"structure_string": "K2 Li1 Mo1 Br6\n1.0\n6.449971 -0.000000 3.723893\n2.149990 6.081091 3.723893\n-0.000000 -0.000000 7.447785\nK Li Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.753416 0.246584 0.246584 Br\n0.246584 0.246584 0.753417 Br\n0.246584 0.753416 0.753417 Br\n0.246584 0.753416 0.246584 Br\n0.753416 0.246584 0.753417 Br\n0.753416 0.753416 0.246583 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Mo",
"Br"
],
"chemical_system": "Br-K-Li-Mo",
"density": 3.7545386200556914,
"density_atomic": 0.03423210491336461,
"volume": 292.12343282156405,
"volume_molar": 17.592084317458625,
"formula_full": "K2 Li1 Mo1 Br6",
"formula_reduced": "K2LiMoBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.389080653,
"spacegroup": 225
},
{
"id": "jvasp-50864",
"created_at": "2022-09-04T14:37:18.439018Z",
"updated_at": "2022-09-04T14:37:18.439034Z",
"structure_string": "K1 Li1 Mn1 S2\n1.0\n0.000000 4.026698 -0.000000\n2.013349 -2.013349 6.546865\n4.026698 0.000000 0.000000\nK Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Mn\n0.646859 0.293718 0.353141 S\n0.353141 0.706281 0.646860 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"S"
],
"chemical_system": "K-Li-Mn-S",
"density": 2.58275961895488,
"density_atomic": 0.04710190809489818,
"volume": 106.15281210957085,
"volume_molar": 12.785343531873364,
"formula_full": "K1 Li1 Mn1 S2",
"formula_reduced": "KLiMnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.436197048275862,
"spacegroup": 119
},
{
"id": "jvasp-57480",
"created_at": "2022-09-04T14:37:09.718025Z",
"updated_at": "2022-09-04T14:37:09.718034Z",
"structure_string": "K2 Li2 Mn2 O4\n1.0\n3.423800 0.000157 -0.000426\n1.711008 5.474179 0.006095\n1.710595 1.262888 7.228084\nK Li Mn O\n2 2 2 4\ndirect\n0.160557 0.312511 0.367108 K\n0.839444 0.687490 0.632892 K\n0.339241 0.375541 0.945860 Li\n0.660761 0.624460 0.054140 Li\n0.951810 0.906247 0.190586 Mn\n0.048192 0.093754 0.809414 Mn\n0.528673 0.247390 0.694854 O\n0.159131 0.736642 0.945120 O\n0.840871 0.263359 0.054880 O\n0.471328 0.752611 0.305145 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 3.2604919595148165,
"density_atomic": 0.07382956369291623,
"volume": 135.4470959843892,
"volume_molar": 8.156814775512224,
"formula_full": "K2 Li2 Mn2 O4",
"formula_reduced": "KLiMnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.552836448275862,
"spacegroup": 12
},
{
"id": "jvasp-88720",
"created_at": "2022-09-04T14:36:06.662160Z",
"updated_at": "2022-09-04T14:36:06.662186Z",
"structure_string": "K11 Li1 Mn4 O16\n1.0\n7.312291 0.000000 -2.998409\n-1.229500 7.208184 -2.998409\n-0.068280 -0.080912 10.249017\nK Li Mn O\n11 1 4 16\ndirect\n0.286672 0.286672 0.573344 K\n0.500000 -0.000000 -0.000000 K\n0.250000 0.750000 0.500000 K\n0.926110 0.926109 0.244188 K\n0.073890 0.681921 0.755811 K\n0.713328 0.713328 0.426656 K\n-0.000000 0.500000 -0.000000 K\n0.681921 0.073890 0.755812 K\n0.318079 0.318079 0.244189 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Li\n0.615112 0.615112 0.748953 Mn\n0.384888 0.866158 0.251047 Mn\n0.866159 0.384888 0.251047 Mn\n0.133841 0.133841 0.748953 Mn\n0.918967 0.203421 0.122388 O\n0.889130 0.583336 0.225214 O\n0.991749 0.991749 0.559178 O\n0.663916 0.416664 0.774786 O\n0.081033 0.081033 0.877612 O\n0.567427 0.567427 0.559178 O\n0.203421 0.918967 0.122388 O\n0.358121 0.110870 0.774786 O\n0.008251 0.432572 0.440822 O\n0.336085 0.641879 0.225214 O\n0.641879 0.336085 0.225214 O\n0.796578 0.796578 0.877611 O\n0.432572 0.008251 0.440822 O\n0.110870 0.358121 0.774786 O\n0.583336 0.889130 0.225214 O\n0.416664 0.663916 0.774786 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 2.824283512242464,
"density_atomic": 0.059628000981804576,
"volume": 536.6606203982046,
"volume_molar": 10.099518113709111,
"formula_full": "K11 Li1 Mn4 O16",
"formula_reduced": "K11LiMn4O16",
"formula_anonymous": "AB4C11D16",
"energy_above_hull": 1.7939497801724136,
"spacegroup": 121
},
{
"id": "jvasp-42296",
"created_at": "2022-09-04T14:37:28.380330Z",
"updated_at": "2022-09-04T14:37:28.380350Z",
"structure_string": "K2 Li4 Mn4 O8\n1.0\n0.000000 3.247522 0.020238\n12.493117 0.000000 0.000000\n0.000000 -0.323598 -5.398177\nK Li Mn O\n2 4 4 8\ndirect\n0.944574 0.250000 0.349146 K\n0.055425 0.750000 0.650854 K\n0.532286 0.643617 0.142460 Li\n0.532286 0.856384 0.142460 Li\n0.467713 0.356384 0.857540 Li\n0.467713 0.143617 0.857540 Li\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.957837 0.099837 0.718611 O\n0.042162 0.599837 0.281389 O\n0.042162 0.900163 0.281389 O\n0.577971 0.588917 0.828997 O\n0.577971 0.911083 0.828997 O\n0.422028 0.411083 0.171003 O\n0.422028 0.088917 0.171003 O\n0.957837 0.400163 0.718611 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 3.4412621386993147,
"density_atomic": 0.08221759070061253,
"volume": 218.93125116673966,
"volume_molar": 7.324637840494558,
"formula_full": "K2 Li4 Mn4 O8",
"formula_reduced": "KLi2Mn2O4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.253710720306513,
"spacegroup": 11
}
]
}