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=chemical_system&page=253",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=251",
"results": [
{
"id": "jvasp-100823",
"created_at": "2022-09-04T14:36:34.044494Z",
"updated_at": "2022-09-04T14:36:34.044515Z",
"structure_string": "Mn2 Al1 Cu3\n1.0\n4.195448 -0.003444 2.438259\n1.401457 3.954455 2.438259\n-0.004879 -0.003444 4.852512\nMn Al Cu\n2 1 3\ndirect\n0.126619 0.126620 0.126619 Mn\n0.873380 0.873383 0.873379 Mn\n0.500000 0.500002 0.499999 Al\n0.500000 0.000001 0.499999 Cu\n-0.000000 0.500001 0.499999 Cu\n0.500000 0.500001 -0.000001 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 6.74708827097569,
"density_atomic": 0.0744411437960833,
"volume": 80.60058851910989,
"volume_molar": 8.08980149001533,
"formula_full": "Mn2 Al1 Cu3",
"formula_reduced": "Mn2AlCu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6618397721264366,
"spacegroup": 166
},
{
"id": "jvasp-106034",
"created_at": "2022-09-04T14:36:30.768803Z",
"updated_at": "2022-09-04T14:36:30.768832Z",
"structure_string": "Mn2 Al2 Cu1\n1.0\n2.683183 -0.187868 -7.653134\n-0.255317 2.677607 -7.653134\n0.183199 0.187868 8.107797\nMn Al Cu\n2 2 1\ndirect\n0.808668 0.808670 -0.000001 Mn\n0.394296 0.394297 -0.000000 Mn\n0.587761 0.587763 -0.000000 Al\n0.214067 0.214068 -0.000000 Al\n0.995201 0.995203 -0.000001 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 5.711930260843219,
"density_atomic": 0.0756382847605299,
"volume": 66.10409022137338,
"volume_molar": 7.961762722497,
"formula_full": "Mn2 Al2 Cu1",
"formula_reduced": "Mn2Al2Cu",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.430084106551724,
"spacegroup": 107
},
{
"id": "jvasp-106027",
"created_at": "2022-09-04T14:36:20.168279Z",
"updated_at": "2022-09-04T14:36:20.168301Z",
"structure_string": "Mn1 Al2 Cu1\n1.0\n2.820917 -0.000000 0.000000\n0.000000 2.820917 0.000000\n0.000000 -0.000000 6.644348\nMn Al Cu\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Mn\n0.000000 0.000000 0.746499 Al\n0.000000 0.000000 0.253502 Al\n0.500001 0.500001 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 5.415917770625136,
"density_atomic": 0.0756531480594604,
"volume": 52.87288239289339,
"volume_molar": 7.96019850392324,
"formula_full": "Mn1 Al2 Cu1",
"formula_reduced": "MnAl2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7405633228448274,
"spacegroup": 123
},
{
"id": "jvasp-15235",
"created_at": "2022-09-04T14:36:44.732630Z",
"updated_at": "2022-09-04T14:36:44.732637Z",
"structure_string": "Mn1 Al1 Cu2\n1.0\n3.632757 0.000000 2.097373\n1.210919 3.424996 2.097373\n-0.000000 -0.000000 4.194747\nMn Al Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.499999 Al\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750001 0.749999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 6.649932915688896,
"density_atomic": 0.07664040698015186,
"volume": 52.19178965262946,
"volume_molar": 7.857657595111154,
"formula_full": "Mn1 Al1 Cu2",
"formula_reduced": "MnAlCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2463027353448275,
"spacegroup": 225
},
{
"id": "jvasp-79355",
"created_at": "2022-09-04T14:36:49.370407Z",
"updated_at": "2022-09-04T14:36:49.370424Z",
"structure_string": "Mn1 Al1 Cu2\n1.0\n-2.963541 -2.963541 -0.000000\n-2.963541 -0.000000 -2.963541\n0.000000 -2.963541 -2.963541\nMn Al Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 6.66740194752515,
"density_atomic": 0.07684173738851147,
"volume": 52.05504372937351,
"volume_molar": 7.8370700151560655,
"formula_full": "Mn1 Al1 Cu2",
"formula_reduced": "MnAlCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2462102353448277,
"spacegroup": 225
},
{
"id": "jvasp-103697",
"created_at": "2022-09-04T14:36:54.090529Z",
"updated_at": "2022-09-04T14:36:54.090549Z",
"structure_string": "Mn1 Al1 Cu1 Pd1\n1.0\n3.704613 -0.000000 2.138859\n1.234871 3.492743 2.138859\n-0.000000 -0.000000 4.277718\nMn Al Cu Pd\n1 1 1 1\ndirect\n0.500000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.750001 Cu\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Mn",
"Al",
"Cu",
"Pd"
],
"chemical_system": "Al-Cu-Mn-Pd",
"density": 7.55667563424576,
"density_atomic": 0.07226672318822872,
"volume": 55.35051021452079,
"volume_molar": 8.33321409124155,
"formula_full": "Mn1 Al1 Cu1 Pd1",
"formula_reduced": "MnAlCuPd",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.7136540478448277,
"spacegroup": 216
},
{
"id": "jvasp-101069",
"created_at": "2022-09-04T14:36:41.346696Z",
"updated_at": "2022-09-04T14:36:41.346726Z",
"structure_string": "Al2 Cu1 Mo1\n1.0\n3.512620 0.005411 -3.210801\n-0.678763 3.446420 -3.210801\n-0.004442 -0.005411 4.758963\nAl Cu Mo\n2 1 1\ndirect\n0.750000 0.250000 0.500000 Al\n0.250001 0.750000 0.500001 Al\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Mo"
],
"chemical_system": "Al-Cu-Mo",
"density": 6.1633882401311215,
"density_atomic": 0.06955624646462527,
"volume": 57.50741598792726,
"volume_molar": 8.657943845579311,
"formula_full": "Al2 Cu1 Mo1",
"formula_reduced": "Al2CuMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2039229875000004,
"spacegroup": 139
},
{
"id": "jvasp-38179",
"created_at": "2022-09-04T14:37:57.519713Z",
"updated_at": "2022-09-04T14:37:57.519724Z",
"structure_string": "Nd1 Al8 Cu4\n1.0\n0.000000 0.000000 -5.216306\n-4.439061 -4.439061 2.608152\n-4.439061 4.439061 -2.608152\nNd Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500001 0.221205 0.221205 Al\n0.278796 0.778795 0.221205 Al\n0.000000 0.348378 0.348378 Al\n0.651623 0.651623 0.348378 Al\n0.348378 0.348378 0.651623 Al\n-0.000000 0.651623 0.651623 Al\n0.500001 0.778795 0.778795 Al\n0.721204 0.221205 0.778795 Al\n0.000000 0.499999 0.000000 Cu\n0.500000 0.499999 -0.000000 Cu\n1.000000 0.000000 0.499999 Cu\n0.500001 0.000000 0.499999 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Nd",
"density": 4.96179703909786,
"density_atomic": 0.06323653579581197,
"volume": 205.57735866456122,
"volume_molar": 9.523198391899948,
"formula_full": "Nd1 Al8 Cu4",
"formula_reduced": "Nd(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.2479104384615387,
"spacegroup": 139
},
{
"id": "jvasp-61481",
"created_at": "2022-09-04T14:35:47.421505Z",
"updated_at": "2022-09-04T14:35:47.421522Z",
"structure_string": "Nd3 Al3 Cu3\n1.0\n3.606381 -6.246433 0.000000\n3.606381 6.246433 -0.000000\n-0.000000 0.000000 4.141340\nNd Al Cu\n3 3 3\ndirect\n0.583674 0.000000 0.500000 Nd\n0.000000 0.583674 0.500000 Nd\n0.416326 0.416326 0.500000 Nd\n0.229639 0.000000 0.000000 Al\n0.000000 0.229639 0.000000 Al\n0.770361 0.770361 0.000000 Al\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Nd",
"density": 6.268123193122434,
"density_atomic": 0.048235627681702184,
"volume": 186.58407555903085,
"volume_molar": 12.484839628788437,
"formula_full": "Nd3 Al3 Cu3",
"formula_reduced": "NdAlCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7181182500000001,
"spacegroup": 189
},
{
"id": "jvasp-90048",
"created_at": "2022-09-04T14:36:06.882741Z",
"updated_at": "2022-09-04T14:36:06.882766Z",
"structure_string": "Nd3 Al3 Cu3\n1.0\n0.000000 0.000000 -4.140109\n-3.607221 -6.247889 0.000000\n-3.606884 6.247694 0.000000\nNd Al Cu\n3 3 3\ndirect\n0.500000 0.583665 -0.000000 Nd\n0.500000 0.416315 0.416329 Nd\n0.500000 -0.000015 0.583670 Nd\n0.000000 0.229589 -0.000000 Al\n0.000000 0.770395 0.770404 Al\n0.000000 0.999990 0.229595 Al\n0.000000 0.333318 0.666670 Cu\n0.000000 0.666647 0.333328 Cu\n0.500000 -0.000005 0.000000 Cu\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Nd",
"density": 6.267456618771736,
"density_atomic": 0.048230498134753,
"volume": 186.6039196786764,
"volume_molar": 12.486167451919146,
"formula_full": "Nd3 Al3 Cu3",
"formula_reduced": "NdAlCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.71809825,
"spacegroup": 189
},
{
"id": "jvasp-92597",
"created_at": "2022-09-04T14:36:01.897498Z",
"updated_at": "2022-09-04T14:36:01.897527Z",
"structure_string": "Nd1 Al3 Cu1\n1.0\n4.246751 0.000000 0.000000\n0.000000 4.246751 0.000000\n-2.123375 -2.123375 5.336517\nNd Al Cu\n1 3 1\ndirect\n0.001057 0.001057 0.002114 Nd\n0.408007 0.408007 0.816012 Al\n0.749918 0.249919 0.499837 Al\n0.249919 0.749918 0.499837 Al\n0.632501 0.632501 0.265002 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Nd",
"density": 4.981652735673409,
"density_atomic": 0.05195155025854854,
"volume": 96.24351872304827,
"volume_molar": 11.591840339757843,
"formula_full": "Nd1 Al3 Cu1",
"formula_reduced": "NdAl3Cu",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.23529607,
"spacegroup": 107
},
{
"id": "jvasp-108808",
"created_at": "2022-09-04T14:38:20.610462Z",
"updated_at": "2022-09-04T14:38:20.610483Z",
"structure_string": "Al4 Cu4 Ni2\n1.0\n2.974433 0.000000 0.000000\n0.000000 2.974433 0.000000\n0.000000 0.000000 14.141689\nAl Cu Ni\n4 4 2\ndirect\n0.000000 0.000000 0.993316 Al\n0.000000 0.000000 0.188635 Al\n0.000000 0.000000 0.400393 Al\n0.000000 0.000000 0.614185 Al\n0.500000 0.500000 0.295574 Cu\n0.500000 0.500000 0.505661 Cu\n0.500000 0.500000 0.708766 Cu\n0.500000 0.500000 0.896153 Cu\n0.000000 0.000000 0.802306 Ni\n0.500000 0.500000 0.095011 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Cu-Ni",
"density": 6.3639284300617085,
"density_atomic": 0.0799264154943328,
"volume": 125.11508164292759,
"volume_molar": 7.534606328526021,
"formula_full": "Al4 Cu4 Ni2",
"formula_reduced": "Al2Cu2Ni",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7062997800000003,
"spacegroup": 99
}
]
}