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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1250",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1248",
"results": [
{
"id": "jvasp-48119",
"created_at": "2022-09-04T14:36:03.126112Z",
"updated_at": "2022-09-04T14:36:03.126141Z",
"structure_string": "Li2 Mn4 F10\n1.0\n4.061337 0.000000 0.000000\n-2.030669 5.194415 0.000000\n-0.000000 0.000000 10.304999\nLi Mn F\n2 4 10\ndirect\n0.177709 0.355421 0.250000 Li\n0.822292 0.644580 0.750000 Li\n0.138784 0.277570 0.571072 Mn\n0.138784 0.277570 0.928928 Mn\n0.861217 0.722431 0.071072 Mn\n0.861217 0.722431 0.428928 Mn\n0.309673 0.619346 0.429876 F\n0.053647 0.107293 0.116638 F\n0.053647 0.107293 0.383362 F\n0.309673 0.619346 0.070124 F\n0.241268 0.482534 0.750000 F\n0.758733 0.517467 0.250000 F\n0.946354 0.892707 0.616638 F\n0.690328 0.380655 0.570124 F\n0.690328 0.380655 0.929876 F\n0.946354 0.892707 0.883362 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.2357137515111374,
"density_atomic": 0.07359805834750713,
"volume": 217.39703953130095,
"volume_molar": 8.182472330404867,
"formula_full": "Li2 Mn4 F10",
"formula_reduced": "LiMn2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.9083219869073276,
"spacegroup": 63
},
{
"id": "jvasp-117378",
"created_at": "2022-09-04T14:38:26.393333Z",
"updated_at": "2022-09-04T14:38:26.393361Z",
"structure_string": "Na2 Lu2 Ti4 O12\n1.0\n5.244559 -0.000000 0.000000\n0.000000 5.496092 0.000000\n-0.000000 -0.000000 7.541518\nNa Lu Ti O\n2 2 4 12\ndirect\n0.493242 0.711521 0.500000 Na\n0.993242 0.288479 -0.000000 Na\n0.020181 0.172994 0.500000 Lu\n0.520181 0.827006 -0.000000 Lu\n0.510924 0.265041 0.752266 Ti\n0.010924 0.734959 0.252265 Ti\n0.510924 0.265041 0.247735 Ti\n0.010924 0.734959 0.747735 Ti\n0.683888 0.561484 0.191929 O\n0.782549 0.037556 0.795295 O\n0.683888 0.561484 0.808072 O\n0.782549 0.037556 0.204706 O\n0.282549 0.962443 0.295294 O\n0.615617 0.279627 0.500000 O\n0.416238 0.220231 -0.000000 O\n0.115617 0.720373 -0.000000 O\n0.183888 0.438516 0.308071 O\n0.916238 0.779768 0.500000 O\n0.183888 0.438516 0.691929 O\n0.282549 0.962443 0.704706 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Lu",
"Ti",
"O"
],
"chemical_system": "Lu-Na-O-Ti",
"density": 5.953515085785514,
"density_atomic": 0.09200432732239286,
"volume": 217.38107958681,
"volume_molar": 6.545497299162662,
"formula_full": "Na2 Lu2 Ti4 O12",
"formula_reduced": "NaLuTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.395630241666667,
"spacegroup": 31
},
{
"id": "jvasp-23728",
"created_at": "2022-09-04T14:37:35.987490Z",
"updated_at": "2022-09-04T14:37:35.987519Z",
"structure_string": "Sm4 Ge4 Ru2\n1.0\n4.201282 0.000000 0.995420\n2.038839 5.499623 0.758552\n-0.009629 -0.024593 9.404344\nSm Ge Ru\n4 4 2\ndirect\n0.315666 0.258596 0.110070 Sm\n0.684333 0.741404 0.889929 Sm\n0.497263 0.331651 0.673822 Sm\n0.502736 0.668349 0.326177 Sm\n0.009581 0.854794 0.126043 Ge\n0.990418 0.145206 0.873956 Ge\n0.849683 0.733272 0.567363 Ge\n0.150317 0.266728 0.432637 Ge\n0.225178 0.923575 0.626067 Ru\n0.774821 0.076425 0.373932 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Sm",
"density": 8.358272333765187,
"density_atomic": 0.04600388663401599,
"volume": 217.3729380640166,
"volume_molar": 13.0905043043627,
"formula_full": "Sm4 Ge4 Ru2",
"formula_reduced": "Sm2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.79947003,
"spacegroup": 12
},
{
"id": "jvasp-9272",
"created_at": "2022-09-04T14:38:34.741032Z",
"updated_at": "2022-09-04T14:38:34.741063Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.173096 0.272131 -0.043039\n0.790488 8.352687 -0.127499\n0.841637 0.006363 8.258038\nMg Mn O\n4 4 8\ndirect\n0.706741 0.936050 0.732680 Mg\n0.317530 0.084032 0.239123 Mg\n0.129999 0.282136 0.870792 Mg\n0.894236 0.737964 0.101001 Mg\n0.159213 0.776465 0.406907 Mn\n0.492591 0.623787 0.755024 Mn\n0.531628 0.396304 0.216777 Mn\n0.865005 0.243584 0.564888 Mn\n0.407405 0.247049 0.411779 O\n0.420615 0.634675 0.199893 O\n0.603635 0.385412 0.771897 O\n0.616821 0.773036 0.560021 O\n0.886968 0.939608 0.234236 O\n0.909832 0.745453 0.867721 O\n0.137300 0.080478 0.737563 O\n0.114401 0.274632 0.104076 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.3992182470956966,
"density_atomic": 0.07360744786296897,
"volume": 217.36930792365388,
"volume_molar": 8.18142855762517,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5489408228448276,
"spacegroup": 2
},
{
"id": "jvasp-57172",
"created_at": "2022-09-04T14:37:33.585117Z",
"updated_at": "2022-09-04T14:37:33.585129Z",
"structure_string": "Cu4 Si2 S6\n1.0\n3.187619 -5.521118 0.000000\n3.187619 5.521118 0.000000\n0.000000 -0.000000 6.175527\nCu Si S\n4 2 6\ndirect\n0.331706 -0.000000 0.378460 Cu\n0.000000 0.000000 0.853464 Cu\n0.668294 0.668294 0.378460 Cu\n-0.000000 0.331706 0.378460 Cu\n0.666667 0.333333 0.854544 Si\n0.333333 0.666667 0.854544 Si\n0.355046 -0.000000 0.007406 S\n-0.000000 0.355046 0.007406 S\n0.333333 0.666667 0.519533 S\n0.644954 0.644954 0.007406 S\n0.000000 0.000000 0.490780 S\n0.666667 0.333333 0.519533 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Si",
"S"
],
"chemical_system": "Cu-S-Si",
"density": 3.8406028604042546,
"density_atomic": 0.05520568328661048,
"volume": 217.36892445837123,
"volume_molar": 10.908552166150987,
"formula_full": "Cu4 Si2 S6",
"formula_reduced": "Cu2SiS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.411266583333333,
"spacegroup": 157
},
{
"id": "jvasp-20192",
"created_at": "2022-09-04T14:38:20.295092Z",
"updated_at": "2022-09-04T14:38:20.295118Z",
"structure_string": "Mn2 Al12\n1.0\n4.977724 -0.005711 -0.000000\n-0.745516 4.921582 0.000000\n-0.000000 -0.000000 8.874366\nMn Al\n2 12\ndirect\n0.545103 0.545103 0.750000 Mn\n0.454896 0.454896 0.250000 Mn\n0.034006 0.398966 0.750000 Al\n0.965992 0.601034 0.250000 Al\n0.326730 0.673269 0.000000 Al\n0.673268 0.326731 0.500000 Al\n0.673268 0.326731 0.000000 Al\n0.326730 0.673269 0.500000 Al\n0.138654 0.138654 0.101407 Al\n0.861345 0.861346 0.601407 Al\n0.138654 0.138654 0.398593 Al\n0.861345 0.861346 0.898594 Al\n0.601033 0.965993 0.250000 Al\n0.398965 0.034006 0.750000 Al\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"Al"
],
"chemical_system": "Al-Mn",
"density": 3.312803056237772,
"density_atomic": 0.0644066403645522,
"volume": 217.3688911695703,
"volume_molar": 9.350186139059096,
"formula_full": "Mn2 Al12",
"formula_reduced": "MnAl6",
"formula_anonymous": "AB6",
"energy_above_hull": 2.3157477201970447,
"spacegroup": 63
},
{
"id": "jvasp-86456",
"created_at": "2022-09-04T14:35:52.595069Z",
"updated_at": "2022-09-04T14:35:52.595085Z",
"structure_string": "Mg4 Al4 Si4\n1.0\n4.039803 0.000000 0.000000\n0.000000 6.609759 0.000000\n0.000000 0.000000 8.140234\nMg Al Si\n4 4 4\ndirect\n0.749999 0.964895 0.328117 Mg\n0.250000 0.035106 0.671883 Mg\n0.749999 0.464894 0.171883 Mg\n0.250000 0.535106 0.828116 Mg\n0.749999 0.857053 0.928674 Al\n0.250000 0.142947 0.071326 Al\n0.749999 0.357053 0.571325 Al\n0.250000 0.642947 0.428674 Al\n0.749999 0.740117 0.619307 Si\n0.250000 0.259883 0.380692 Si\n0.749999 0.240117 0.880692 Si\n0.250000 0.759884 0.119308 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.4254589130995527,
"density_atomic": 0.055207558902221995,
"volume": 217.36153959013436,
"volume_molar": 10.908181560184183,
"formula_full": "Mg4 Al4 Si4",
"formula_reduced": "MgAlSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1728809444444446,
"spacegroup": 62
},
{
"id": "jvasp-90137",
"created_at": "2022-09-04T14:35:50.192714Z",
"updated_at": "2022-09-04T14:35:50.192745Z",
"structure_string": "Sm3 Mg3 Ag3\n1.0\n0.000000 0.000000 -4.232398\n-3.850504 -6.669268 0.000000\n-3.849360 6.668608 0.000000\nSm Mg Ag\n3 3 3\ndirect\n0.500000 0.585257 -0.000000 Sm\n0.500000 0.414699 0.414723 Sm\n0.500000 -0.000024 0.585277 Sm\n0.000000 0.242929 -0.000000 Mg\n0.000000 0.757041 0.757039 Mg\n0.000000 0.000003 0.242961 Mg\n0.000000 0.333333 0.666668 Ag\n0.000000 0.666664 0.333331 Ag\n0.500000 -0.000004 0.000000 Ag\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Sm",
"density": 6.476100934739794,
"density_atomic": 0.04141105337544208,
"volume": 217.33327859119981,
"volume_molar": 14.542351061205553,
"formula_full": "Sm3 Mg3 Ag3",
"formula_reduced": "SmMgAg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1156060224999999,
"spacegroup": 189
},
{
"id": "jvasp-54714",
"created_at": "2022-09-04T14:36:53.274856Z",
"updated_at": "2022-09-04T14:36:53.274885Z",
"structure_string": "H14 Br2 O6\n1.0\n6.246246 0.000000 -0.111750\n-0.099008 3.084081 5.642435\n-0.099008 -3.084081 5.642435\nH Br O\n14 2 6\ndirect\n0.454727 0.025551 0.810390 H\n0.253797 0.293745 0.037570 H\n0.367280 0.510009 0.065967 H\n0.796204 0.185318 0.344101 H\n0.744377 0.049674 0.189855 H\n0.296203 0.844102 0.685318 H\n0.035600 0.744958 0.678421 H\n0.535601 0.178421 0.244958 H\n0.753797 0.537570 0.793746 H\n0.867281 0.565967 0.010010 H\n0.104363 0.311710 0.325126 H\n0.954727 0.310390 0.525551 H\n0.604363 0.825126 0.811710 H\n0.244375 0.689856 0.549675 H\n0.498451 0.453131 0.576672 Br\n-0.001549 0.076672 0.953131 Br\n0.676717 0.080340 0.312653 O\n0.455882 0.855933 0.841216 O\n0.955883 0.341215 0.355932 O\n0.829766 0.652939 0.831767 O\n0.176716 0.812653 0.580340 O\n0.329766 0.331766 0.152938 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 2.0623955241834047,
"density_atomic": 0.10123195394211731,
"volume": 217.32268461971228,
"volume_molar": 5.948853623277248,
"formula_full": "H14 Br2 O6",
"formula_reduced": "H7BrO3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.687644964090909,
"spacegroup": 9
},
{
"id": "jvasp-103065",
"created_at": "2022-09-04T14:36:41.180931Z",
"updated_at": "2022-09-04T14:36:41.180950Z",
"structure_string": "Na1 Bi3 I2 O4\n1.0\n7.253101 0.030085 0.000000\n-5.022961 5.232422 0.000000\n0.000000 0.000000 5.703589\nNa Bi I O\n1 3 2 4\ndirect\n0.335929 0.664070 0.500000 Na\n0.834344 0.165655 0.000000 Bi\n0.168050 0.831949 0.000000 Bi\n0.666835 0.333164 0.500000 Bi\n0.495736 0.504263 0.000000 I\n0.004845 0.995154 0.500000 I\n0.506993 0.009863 0.757536 O\n0.990135 0.493006 0.242465 O\n0.990135 0.493006 0.757536 O\n0.506993 0.009863 0.242465 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-Na-O",
"density": 7.394453898579901,
"density_atomic": 0.046015000771333636,
"volume": 217.32043534441897,
"volume_molar": 13.0873425166857,
"formula_full": "Na1 Bi3 I2 O4",
"formula_reduced": "NaBi3(IO2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.185199845,
"spacegroup": 38
},
{
"id": "jvasp-11411",
"created_at": "2022-09-04T14:37:03.906104Z",
"updated_at": "2022-09-04T14:37:03.906133Z",
"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Sr",
"Sc",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sc-Sr",
"density": 4.767968486418981,
"density_atomic": 0.0644219863145532,
"volume": 217.3171117643316,
"volume_molar": 9.34795883286755,
"formula_full": "Sr3 Sc2 Cu2 S2 O5",
"formula_reduced": "Sr3Sc2Cu2S2O5",
"formula_anonymous": "A2B2C2D3E5",
"energy_above_hull": 1.446281987857143,
"spacegroup": 139
},
{
"id": "jvasp-85429",
"created_at": "2022-09-04T14:35:54.151871Z",
"updated_at": "2022-09-04T14:35:54.151900Z",
"structure_string": "Ca2 Mn2 Bi4\n1.0\n4.569187 -0.000000 -0.000000\n0.000000 4.569187 0.000000\n-0.000000 -0.000000 10.409102\nCa Mn Bi\n2 2 4\ndirect\n0.750000 0.750000 0.254145 Ca\n0.250000 0.250000 0.745855 Ca\n0.750000 0.250000 0.000000 Mn\n0.250000 0.750000 0.000000 Mn\n0.750000 0.750000 0.840675 Bi\n0.250000 0.750000 0.500000 Bi\n0.750000 0.250000 0.500000 Bi\n0.250000 0.250000 0.159325 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Bi"
],
"chemical_system": "Bi-Ca-Mn",
"density": 7.839452373916274,
"density_atomic": 0.036812800541400514,
"volume": 217.31571307657015,
"volume_molar": 16.358822668835973,
"formula_full": "Ca2 Mn2 Bi4",
"formula_reduced": "CaMnBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3418740653448276,
"spacegroup": 129
}
]
}