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{
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"results": [
{
"id": "jvasp-39151",
"created_at": "2022-09-04T14:37:46.415761Z",
"updated_at": "2022-09-04T14:37:46.415791Z",
"structure_string": "Li1 Lu2 Al1\n1.0\n0.000004 3.543801 3.543780\n3.543801 0.000005 3.543780\n3.543803 3.543803 0.000003\nLi Lu Al\n1 2 1\ndirect\n0.750000 0.750000 0.749999 Li\n-0.000000 0.999995 0.000003 Lu\n0.499999 0.500004 0.499994 Lu\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.161155912345803,
"density_atomic": 0.04493917345333546,
"volume": 89.00920272050783,
"volume_molar": 13.400648692956828,
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},
{
"id": "jvasp-119603",
"created_at": "2022-09-04T14:38:52.086457Z",
"updated_at": "2022-09-04T14:38:52.086494Z",
"structure_string": "Li1 Mg17 Al11\n1.0\n8.567259 -0.045200 3.008016\n-4.176515 7.480421 3.008016\n0.035123 0.059476 9.098595\nLi Mg Al\n1 17 11\ndirect\n0.366107 0.366108 0.815088 Li\n0.315628 0.601654 -0.000201 Mg\n0.394457 0.709662 0.605719 Mg\n0.001901 0.317761 0.399685 Mg\n0.287215 0.686217 0.314758 Mg\n0.601428 -0.001524 0.684912 Mg\n-0.001525 0.601429 0.684913 Mg\n0.686217 0.287215 0.314758 Mg\n0.342862 0.004037 0.996905 Mg\n0.004036 0.342863 0.996905 Mg\n0.709661 0.394458 0.605719 Mg\n0.601654 0.315628 -0.000201 Mg\n0.397952 0.397952 0.284820 Mg\n0.656690 0.656691 0.347470 Mg\n0.003219 0.003220 0.997630 Mg\n0.681069 0.681070 0.713312 Mg\n0.996118 0.996119 0.655596 Mg\n0.317761 0.001901 0.399685 Mg\n0.817188 0.002350 0.368434 Al\n0.818161 0.183736 0.813476 Al\n0.635100 0.000440 0.187495 Al\n0.000439 0.635100 0.187495 Al\n0.812720 0.631413 0.003076 Al\n0.002349 0.817188 0.368435 Al\n0.365624 0.180603 0.631096 Al\n0.190208 0.190208 0.175400 Al\n0.180603 0.365625 0.631096 Al\n0.183735 0.818161 0.813476 Al\n0.631412 0.812721 0.003076 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
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],
"chemical_system": "Al-Li-Mg",
"density": 2.058560391831785,
"density_atomic": 0.05014643284832973,
"volume": 578.3063391111364,
"volume_molar": 12.0091109535433,
"formula_full": "Li1 Mg17 Al11",
"formula_reduced": "LiMg17Al11",
"formula_anonymous": "AB11C17",
"energy_above_hull": 0.3206175017241384,
"spacegroup": 8
},
{
"id": "jvasp-94780",
"created_at": "2022-09-04T14:36:07.236816Z",
"updated_at": "2022-09-04T14:36:07.236844Z",
"structure_string": "Li1 Mg6 Al1\n1.0\n6.262643 0.010014 0.000000\n-3.122649 5.428614 0.000000\n0.000000 0.000000 5.018670\nLi Mg Al\n1 6 1\ndirect\n0.330491 0.169508 0.750000 Li\n0.167688 0.839838 0.250000 Mg\n0.660161 0.332310 0.250000 Mg\n0.666889 0.833108 0.250000 Mg\n0.331521 0.660371 0.750000 Mg\n0.839627 0.168477 0.750000 Mg\n0.834886 0.665112 0.750000 Mg\n0.168731 0.331268 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Al"
],
"chemical_system": "Al-Li-Mg",
"density": 1.747791408850779,
"density_atomic": 0.046844160171901884,
"volume": 170.77902497649148,
"volume_molar": 12.855691590799843,
"formula_full": "Li1 Mg6 Al1",
"formula_reduced": "LiMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-36572",
"created_at": "2022-09-04T14:37:29.723114Z",
"updated_at": "2022-09-04T14:37:29.723138Z",
"structure_string": "Li1 Mg2 Al1\n1.0\n-10.491078 0.000001 -6.057028\n-6.719479 0.261005 -0.475573\n-5.859891 2.692287 -1.964425\nLi Mg Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735302 -0.000000 -0.000000 Mg\n0.264699 -0.000000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Al\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Li-Mg",
"density": 1.4854796239876882,
"density_atomic": 0.043356317625044896,
"volume": 92.25875764157122,
"volume_molar": 13.889880621506688,
"formula_full": "Li1 Mg2 Al1",
"formula_reduced": "LiMg2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4781504666666668,
"spacegroup": 71
},
{
"id": "jvasp-46539",
"created_at": "2022-09-04T14:37:28.505070Z",
"updated_at": "2022-09-04T14:37:28.505098Z",
"structure_string": "Li2 Mn2 Al2 O6\n1.0\n5.511335 0.309004 -0.186845\n-2.456007 4.717121 0.222290\n-2.915521 -1.690574 4.843054\nLi Mn Al O\n2 2 2 6\ndirect\n0.316400 0.076351 0.569447 Li\n0.683599 0.923649 0.430553 Li\n0.666642 0.422030 0.261373 Mn\n0.333357 0.577970 0.738627 Mn\n0.008557 0.756691 0.921138 Al\n-0.008557 0.243309 0.078861 Al\n0.015514 0.757381 0.619481 O\n0.706502 0.426140 0.916138 O\n0.283320 0.071929 0.218714 O\n0.716679 0.928070 0.781286 O\n0.293497 0.573860 0.083862 O\n0.984485 0.242618 0.380519 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Al-Li-Mn-O",
"density": 3.5479102037001558,
"density_atomic": 0.0936703400215209,
"volume": 128.10885491867523,
"volume_molar": 6.429079641022339,
"formula_full": "Li2 Mn2 Al2 O6",
"formula_reduced": "LiMnAlO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-113223",
"created_at": "2022-09-04T14:38:42.751722Z",
"updated_at": "2022-09-04T14:38:42.751757Z",
"structure_string": "Li4 Mn4 Al4 O12\n1.0\n5.116860 0.267697 -1.402088\n2.494814 5.094029 -1.648648\n0.355212 -0.209459 10.001530\nLi Mn Al O\n4 4 4 12\ndirect\n0.632051 0.444156 0.873799 Li\n0.132053 0.944154 0.373799 Li\n0.367948 0.555844 0.126200 Li\n0.867946 0.055847 0.626201 Li\n0.958140 0.463922 0.202782 Mn\n0.041859 0.536079 0.797217 Mn\n0.458137 0.963923 0.702781 Mn\n0.541861 0.036078 0.297218 Mn\n0.207845 0.035607 0.956454 Al\n0.707844 0.535604 0.456454 Al\n0.792154 0.964394 0.043546 Al\n0.292154 0.464397 0.543545 Al\n0.179912 0.748877 0.967207 O\n0.439833 0.317140 0.697398 O\n0.939833 0.817139 0.197396 O\n0.560166 0.682861 0.302601 O\n0.060166 0.182861 0.802603 O\n0.615466 0.811441 0.895252 O\n0.115466 0.311439 0.395252 O\n0.384532 0.188560 0.104748 O\n0.884532 0.688562 0.604748 O\n0.820086 0.251123 0.032793 O\n0.320086 0.751123 0.532793 O\n0.679912 0.248878 0.467207 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
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"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.5598186014655937,
"density_atomic": 0.0939847402187516,
"volume": 255.36060369097643,
"volume_molar": 6.407572916606816,
"formula_full": "Li4 Mn4 Al4 O12",
"formula_reduced": "LiMnAlO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.160308423563218,
"spacegroup": 2
},
{
"id": "jvasp-44355",
"created_at": "2022-09-04T14:38:06.344895Z",
"updated_at": "2022-09-04T14:38:06.344922Z",
"structure_string": "Li6 Mn2 Al4 O12\n1.0\n5.245438 0.006461 -0.023450\n-0.063217 -5.849733 -0.018561\n-1.383712 -0.017504 -7.642574\nLi Mn Al O\n6 2 4 12\ndirect\n0.164753 0.835406 0.082481 Li\n-0.002565 0.660380 0.756978 Li\n0.328914 0.654203 0.401113 Li\n0.671087 0.345796 0.598887 Li\n0.002565 0.339619 0.243022 Li\n0.835247 0.164593 0.917519 Li\n0.504860 0.829136 0.738988 Mn\n0.495140 0.170863 0.261011 Mn\n0.328485 0.332700 0.915239 Al\n0.159259 0.176193 0.582383 Al\n0.840741 0.823806 0.417617 Al\n0.671515 0.667299 0.084761 Al\n0.474665 0.170057 0.757607 O\n0.171152 0.860133 0.577592 O\n0.525335 0.829942 0.242392 O\n0.801330 0.822131 0.914391 O\n0.679475 0.680196 0.573675 O\n0.975458 0.677036 0.251463 O\n0.345720 0.647377 0.921256 O\n0.654280 0.352622 0.078743 O\n0.024542 0.322963 0.748536 O\n0.320525 0.319803 0.426325 O\n0.198670 0.177868 0.085608 O\n0.828848 0.139866 0.422407 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-Li-Mn-O",
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"density_atomic": 0.10226124574153787,
"volume": 234.69301421047868,
"volume_molar": 5.888976529017428,
"formula_full": "Li6 Mn2 Al4 O12",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.2387278201149425,
"spacegroup": 2
},
{
"id": "jvasp-88749",
"created_at": "2022-09-04T14:35:50.612561Z",
"updated_at": "2022-09-04T14:35:50.612588Z",
"structure_string": "Li2 Al2 Mo4 O16\n1.0\n6.231425 -0.018090 -2.356794\n-2.010816 6.781074 -0.054945\n0.015970 -0.053710 7.189055\nLi Al Mo O\n2 2 4 16\ndirect\n0.730039 0.553063 0.243474 Li\n0.269960 0.446937 0.756527 Li\n0.907736 0.099436 0.824004 Al\n0.092264 0.900563 0.175998 Al\n0.167181 0.423301 0.210601 Mo\n0.832819 0.576699 0.789401 Mo\n0.322732 0.966849 0.716472 Mo\n0.677268 0.033151 0.283530 Mo\n0.250603 0.425318 0.465641 O\n0.749397 0.574681 0.534361 O\n0.748271 0.040450 0.546356 O\n0.590794 0.484335 0.836585 O\n0.782308 0.275719 0.239427 O\n0.217691 0.724281 0.760574 O\n0.025063 0.624289 0.153752 O\n0.974937 0.375710 0.846250 O\n0.379329 0.946742 0.153060 O\n0.620671 0.053258 0.846942 O\n0.078163 0.153492 0.110806 O\n0.921837 0.846508 0.889196 O\n0.184806 0.131260 0.777606 O\n0.815194 0.868740 0.222396 O\n0.409206 0.515665 0.163417 O\n0.251729 0.959550 0.453646 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "Al-Li-Mo-O",
"density": 3.871469199313102,
"density_atomic": 0.07907749518099945,
"volume": 303.4997497716223,
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"formula_full": "Li2 Al2 Mo4 O16",
"formula_reduced": "LiAl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.21618605,
"spacegroup": 2
},
{
"id": "jvasp-21968",
"created_at": "2022-09-04T14:37:33.215466Z",
"updated_at": "2022-09-04T14:37:33.215495Z",
"structure_string": "Li24 Al8 N16\n1.0\n7.719011 0.000000 -2.729083\n-3.859506 6.684860 -2.729083\n0.000000 0.000000 8.187248\nLi Al N\n24 8 16\ndirect\n0.988387 0.460180 0.225160 Li\n0.960179 0.971794 0.235021 Li\n0.725159 0.264979 0.236773 Li\n0.539819 0.774841 0.011613 Li\n0.488387 0.263227 0.528206 Li\n0.236773 0.725159 0.264979 Li\n0.774840 0.011613 0.539820 Li\n0.528206 0.488387 0.263227 Li\n0.263227 0.528206 0.488388 Li\n0.235020 0.960180 0.971794 Li\n0.264979 0.236773 0.725160 Li\n0.011612 0.539820 0.774841 Li\n0.971794 0.235021 0.960181 Li\n0.039820 0.028206 0.764979 Li\n0.735020 0.763227 0.274841 Li\n0.736773 0.471794 0.511613 Li\n0.471794 0.511613 0.736774 Li\n0.225159 0.988387 0.460180 Li\n0.764979 0.039820 0.028206 Li\n0.028206 0.764979 0.039820 Li\n0.460180 0.225159 0.988388 Li\n0.274840 0.735021 0.763227 Li\n0.763227 0.274841 0.735021 Li\n0.511612 0.736773 0.471794 Li\n0.231712 0.231712 0.231712 Al\n-0.000000 0.731712 0.500000 Al\n0.768288 0.768288 0.768289 Al\n0.268288 0.500000 0.000000 Al\n0.500000 0.000000 0.268288 Al\n-0.000000 0.268288 0.500000 Al\n0.731711 0.500000 0.000000 Al\n0.500000 0.000000 0.731712 Al\n0.468702 0.218702 0.250000 N\n0.968702 0.718702 0.250000 N\n-0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.250000 0.468702 0.218703 N\n0.031297 0.281298 0.750000 N\n0.000000 0.000000 0.000000 N\n0.750000 0.531298 0.781298 N\n0.218702 0.250000 0.468703 N\n0.718702 0.250000 0.968703 N\n0.531297 0.781298 0.750000 N\n0.781297 0.750000 0.531298 N\n0.249999 0.968702 0.718703 N\n0.750000 0.031298 0.281298 N\n0.281297 0.750000 0.031298 N\n",
"nsites": 48,
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"elements": [
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],
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"density_atomic": 0.11361856907319823,
"volume": 422.4661548859696,
"volume_molar": 5.300313856373481,
"formula_full": "Li24 Al8 N16",
"formula_reduced": "Li3AlN2",
"formula_anonymous": "AB2C3",
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"spacegroup": 206
},
{
"id": "jvasp-120278",
"created_at": "2022-09-04T14:38:46.761164Z",
"updated_at": "2022-09-04T14:38:46.761184Z",
"structure_string": "Li2 Al1 N2\n1.0\n3.036284 -0.000000 0.000000\n-1.518142 2.629499 0.000000\n0.000000 -0.000000 5.331078\nLi Al N\n2 1 2\ndirect\n0.666666 0.333333 0.366021 Li\n0.333333 0.666666 0.633979 Li\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.793136 N\n0.333333 0.666666 0.206864 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 2.6871536214627647,
"density_atomic": 0.11747340754910399,
"volume": 42.562824253735855,
"volume_molar": 5.1263863759827855,
"formula_full": "Li2 Al1 N2",
"formula_reduced": "Li2AlN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.70598586,
"spacegroup": 164
},
{
"id": "jvasp-120277",
"created_at": "2022-09-04T14:38:46.731372Z",
"updated_at": "2022-09-04T14:38:46.731400Z",
"structure_string": "Li1 Al1 N1\n1.0\n3.588380 0.000000 -0.000000\n-1.794190 3.107628 0.000000\n0.000000 0.000000 3.577868\nLi Al N\n1 1 1\ndirect\n0.000000 0.000000 0.500001 Li\n0.666667 0.333334 0.000000 Al\n0.666667 0.333334 0.500001 N\n",
"nsites": 3,
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"elements": [
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],
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"density_atomic": 0.07519162792457194,
"volume": 39.89805890370445,
"volume_molar": 8.00905755896265,
"formula_full": "Li1 Al1 N1",
"formula_reduced": "LiAlN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.06938535,
"spacegroup": 187
},
{
"id": "jvasp-98174",
"created_at": "2022-09-04T14:35:48.308207Z",
"updated_at": "2022-09-04T14:35:48.308239Z",
"structure_string": "Na8 Li4 Al4 P8\n1.0\n5.773610 0.000000 0.000000\n-0.000000 8.803502 -1.418024\n0.000000 0.009024 8.916970\nNa Li Al P\n8 4 4 8\ndirect\n0.713077 0.820944 0.179056 Na\n0.286923 0.179055 0.820944 Na\n0.250000 0.067805 0.432195 Na\n0.250000 0.567805 0.932195 Na\n0.750000 0.932194 0.567806 Na\n0.786923 0.320944 0.679056 Na\n0.213077 0.679055 0.320944 Na\n0.750000 0.432195 0.067805 Na\n0.500000 0.881477 0.881478 Li\n0.000000 0.618522 0.618522 Li\n0.500000 0.118522 0.118522 Li\n0.000000 0.381478 0.381478 Li\n0.000000 0.870060 0.870061 Al\n0.000000 0.129939 0.129939 Al\n0.500000 0.370061 0.370061 Al\n0.500000 0.629939 0.629939 Al\n0.250000 0.852405 0.647595 P\n0.214721 0.895219 0.104781 P\n0.285279 0.395219 0.604781 P\n0.785279 0.104780 0.895219 P\n0.714721 0.604780 0.395220 P\n0.750000 0.147594 0.352406 P\n0.250000 0.352405 0.147594 P\n0.750000 0.647594 0.852406 P\n",
"nsites": 24,
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"elements": [
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"P"
],
"chemical_system": "Al-Li-Na-P",
"density": 2.0784816884830923,
"density_atomic": 0.05294442506892091,
"volume": 453.3055174129811,
"volume_molar": 11.374456804773347,
"formula_full": "Na8 Li4 Al4 P8",
"formula_reduced": "Na2LiAlP2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 64
}
]
}