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=185",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=183",
"results": [
{
"id": "jvasp-20159",
"created_at": "2022-09-04T14:37:53.955801Z",
"updated_at": "2022-09-04T14:37:53.955811Z",
"structure_string": "Al4 Au16\n1.0\n7.037880 0.000000 -0.000000\n-0.000000 7.037880 0.000000\n0.000000 -0.000000 7.037880\nAl Au\n4 16\ndirect\n0.064305 0.064305 0.064305 Al\n0.435695 0.935695 0.564305 Al\n0.564305 0.435695 0.935695 Al\n0.935695 0.564305 0.435695 Al\n0.283469 0.551638 0.611253 Au\n0.448362 0.111253 0.216531 Au\n0.611253 0.283469 0.551638 Au\n0.111253 0.216531 0.448362 Au\n0.051638 0.888747 0.716532 Au\n0.888747 0.716532 0.051638 Au\n0.551638 0.611253 0.283469 Au\n0.388747 0.783469 0.948362 Au\n0.216531 0.448362 0.111253 Au\n0.783469 0.948362 0.388747 Au\n0.317401 0.182599 0.817401 Au\n0.182599 0.817401 0.317401 Au\n0.817401 0.317401 0.182599 Au\n0.682599 0.682599 0.682599 Au\n0.948362 0.388747 0.783469 Au\n0.716532 0.051638 0.888747 Au\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 15.526015705949265,
"density_atomic": 0.05737258564128742,
"volume": 348.5985471361999,
"volume_molar": 10.496547597928453,
"formula_full": "Al4 Au16",
"formula_reduced": "AlAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.681526616,
"spacegroup": 198
},
{
"id": "jvasp-16354",
"created_at": "2022-09-04T14:37:52.747943Z",
"updated_at": "2022-09-04T14:37:52.747965Z",
"structure_string": "Al1 Au1\n1.0\n3.223442 -0.000000 0.000000\n0.000000 3.223442 -0.000000\n-0.000000 0.000000 3.223442\nAl Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 11.102912406419767,
"density_atomic": 0.05971320954401019,
"volume": 33.49342658471486,
"volume_molar": 10.08510647139395,
"formula_full": "Al1 Au1",
"formula_reduced": "AlAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.5770451850000001,
"spacegroup": 221
},
{
"id": "jvasp-86246",
"created_at": "2022-09-04T14:36:09.452385Z",
"updated_at": "2022-09-04T14:36:09.452411Z",
"structure_string": "Al4 Au8\n1.0\n3.317230 -0.000000 0.000000\n-0.000000 6.881498 0.000000\n0.000000 0.000000 8.955967\nAl Au\n4 8\ndirect\n0.750000 0.359600 0.724185 Al\n0.250000 0.640401 0.275816 Al\n0.250000 0.140401 0.224184 Al\n0.750000 0.859600 0.775816 Al\n0.750000 0.849794 0.070996 Au\n0.750000 0.421643 0.119686 Au\n0.250000 0.578357 0.880314 Au\n0.250000 0.078357 0.619687 Au\n0.750000 0.349794 0.429004 Au\n0.250000 0.650207 0.570996 Au\n0.750000 0.921643 0.380314 Au\n0.250000 0.150207 0.929004 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 13.67515006939103,
"density_atomic": 0.05869622745803031,
"volume": 204.44244067611305,
"volume_molar": 10.259842958912518,
"formula_full": "Al4 Au8",
"formula_reduced": "AlAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6410893133333333,
"spacegroup": 62
},
{
"id": "jvasp-103733",
"created_at": "2022-09-04T14:36:46.442911Z",
"updated_at": "2022-09-04T14:36:46.442929Z",
"structure_string": "Al1 Au4\n1.0\n3.046717 0.253655 0.312428\n1.245020 2.792266 0.312428\n0.348302 0.247196 10.909633\nAl Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.390726 0.390729 0.822298 Au\n0.797648 0.797653 0.605843 Au\n0.202350 0.202352 0.394157 Au\n0.609273 0.609275 0.177702 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 15.211733352183272,
"density_atomic": 0.05621123223301568,
"volume": 88.95019378463738,
"volume_molar": 10.71341175200727,
"formula_full": "Al1 Au4",
"formula_reduced": "AlAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.6896846159999999,
"spacegroup": 166
},
{
"id": "jvasp-102454",
"created_at": "2022-09-04T14:36:46.324452Z",
"updated_at": "2022-09-04T14:36:46.324471Z",
"structure_string": "Al3 Au1\n1.0\n3.711191 0.001005 -3.326328\n-0.739516 3.636764 -3.326328\n-0.000821 -0.001005 4.983713\nAl Au\n3 1\ndirect\n0.750000 0.250000 0.499999 Al\n0.249999 0.749999 0.499998 Al\n0.499999 0.500000 -0.000001 Al\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 6.862936035651194,
"density_atomic": 0.05948600719700216,
"volume": 67.24270443556654,
"volume_molar": 10.12362577985145,
"formula_full": "Al3 Au1",
"formula_reduced": "Al3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3391439925000004,
"spacegroup": 139
},
{
"id": "jvasp-61218",
"created_at": "2022-09-04T14:35:46.621462Z",
"updated_at": "2022-09-04T14:35:46.621489Z",
"structure_string": "Al4 Au8\n1.0\n3.318321 0.000000 0.000000\n0.000000 6.881569 0.000000\n0.000000 0.000000 8.953665\nAl Au\n4 8\ndirect\n0.250000 0.140508 0.224316 Al\n0.750000 0.359492 0.724316 Al\n0.750000 0.859492 0.775683 Al\n0.250000 0.640508 0.275684 Al\n0.250000 0.650168 0.570910 Au\n0.750000 0.849832 0.070910 Au\n0.750000 0.349832 0.429089 Au\n0.250000 0.150168 0.929089 Au\n0.250000 0.078354 0.619701 Au\n0.750000 0.421646 0.119701 Au\n0.750000 0.921646 0.380298 Au\n0.250000 0.578354 0.880298 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 13.674027606067781,
"density_atomic": 0.058691409641611444,
"volume": 204.45922279386107,
"volume_molar": 10.260685161206931,
"formula_full": "Al4 Au8",
"formula_reduced": "AlAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6410993133333334,
"spacegroup": 62
},
{
"id": "jvasp-99696",
"created_at": "2022-09-04T14:36:58.723678Z",
"updated_at": "2022-09-04T14:36:58.723713Z",
"structure_string": "K2 Al1 Au1 Br6\n1.0\n6.513643 0.000000 3.760653\n2.171214 6.141122 3.760653\n-0.000000 0.000000 7.521307\nK Al Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.762534 0.237465 0.237465 Br\n0.237465 0.237465 0.762535 Br\n0.237465 0.762535 0.762535 Br\n0.237465 0.762535 0.237465 Br\n0.762534 0.237465 0.762535 Br\n0.762534 0.762535 0.237465 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Al",
"Au",
"Br"
],
"chemical_system": "Al-Au-Br-K",
"density": 4.313713198433572,
"density_atomic": 0.033238009448952194,
"volume": 300.8603753891539,
"volume_molar": 18.118235296999245,
"formula_full": "K2 Al1 Au1 Br6",
"formula_reduced": "K2AlAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106923",
"created_at": "2022-09-04T14:36:50.618763Z",
"updated_at": "2022-09-04T14:36:50.618784Z",
"structure_string": "Rb2 Al1 Au1 Br6\n1.0\n6.553319 -0.000000 3.783560\n2.184440 6.178528 3.783560\n0.000000 -0.000000 7.567121\nRb Al Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.762762 0.237238 0.237238 Br\n0.237238 0.237238 0.762762 Br\n0.237238 0.762762 0.762762 Br\n0.237238 0.762762 0.237238 Br\n0.762762 0.237238 0.762762 Br\n0.762762 0.762762 0.237238 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Au",
"Br"
],
"chemical_system": "Al-Au-Br-Rb",
"density": 4.7384510429898175,
"density_atomic": 0.03263795906986328,
"volume": 306.391707232504,
"volume_molar": 18.451339886508492,
"formula_full": "Rb2 Al1 Au1 Br6",
"formula_reduced": "Rb2AlAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-86111",
"created_at": "2022-09-04T14:35:58.100683Z",
"updated_at": "2022-09-04T14:35:58.100696Z",
"structure_string": "Ca4 Al4 Au4\n1.0\n4.531999 0.000000 0.000000\n-0.000000 7.294384 0.000000\n0.000000 0.000000 7.782604\nCa Al Au\n4 4 4\ndirect\n0.250000 0.015419 0.682823 Ca\n0.250000 0.515419 0.817177 Ca\n0.750000 0.984580 0.317177 Ca\n0.750000 0.484580 0.182823 Ca\n0.750000 0.843093 0.930740 Al\n0.250000 0.156907 0.069260 Al\n0.250000 0.656906 0.430740 Al\n0.750000 0.343093 0.569259 Al\n0.250000 0.791137 0.111592 Au\n0.750000 0.208863 0.888407 Au\n0.750000 0.708862 0.611592 Au\n0.250000 0.291137 0.388407 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ca",
"density": 6.816361290009037,
"density_atomic": 0.046642077421932146,
"volume": 257.27842032947984,
"volume_molar": 12.911390514454778,
"formula_full": "Ca4 Al4 Au4",
"formula_reduced": "CaAlAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2344502633333332,
"spacegroup": 62
},
{
"id": "jvasp-63625",
"created_at": "2022-09-04T14:35:43.297773Z",
"updated_at": "2022-09-04T14:35:43.297800Z",
"structure_string": "Ca4 Al4 Au4\n1.0\n4.531044 -0.000000 0.000000\n-0.000000 7.294235 0.000000\n0.000000 0.000000 7.784918\nCa Al Au\n4 4 4\ndirect\n0.250000 0.015476 0.682774 Ca\n0.749999 0.484524 0.182773 Ca\n0.749999 0.984525 0.317227 Ca\n0.250000 0.515476 0.817227 Ca\n0.250000 0.156822 0.069181 Al\n0.749999 0.343178 0.569181 Al\n0.749999 0.843178 0.930820 Al\n0.250000 0.656823 0.430820 Al\n0.250000 0.291039 0.388258 Au\n0.749999 0.208961 0.888258 Au\n0.749999 0.708962 0.611742 Au\n0.250000 0.791039 0.111742 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ca",
"density": 6.815910656731283,
"density_atomic": 0.04663899388933526,
"volume": 257.2954302675039,
"volume_molar": 12.912244149797274,
"formula_full": "Ca4 Al4 Au4",
"formula_reduced": "CaAlAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2344669299999999,
"spacegroup": 62
},
{
"id": "jvasp-86712",
"created_at": "2022-09-04T14:35:43.530326Z",
"updated_at": "2022-09-04T14:35:43.530343Z",
"structure_string": "Ca4 Al4 Au4\n1.0\n4.531999 -0.000000 0.000000\n-0.000000 7.294384 0.000000\n0.000000 0.000000 7.782604\nCa Al Au\n4 4 4\ndirect\n0.250000 0.015419 0.682823 Ca\n0.250000 0.515419 0.817177 Ca\n0.750000 0.984580 0.317177 Ca\n0.750000 0.484580 0.182823 Ca\n0.750000 0.843093 0.930740 Al\n0.250000 0.156907 0.069260 Al\n0.250000 0.656906 0.430740 Al\n0.750000 0.343093 0.569259 Al\n0.250000 0.791137 0.111592 Au\n0.750000 0.208863 0.888407 Au\n0.750000 0.708862 0.611592 Au\n0.250000 0.291137 0.388407 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ca",
"density": 6.816361290009037,
"density_atomic": 0.046642077421932146,
"volume": 257.27842032947984,
"volume_molar": 12.911390514454778,
"formula_full": "Ca4 Al4 Au4",
"formula_reduced": "CaAlAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2344502633333332,
"spacegroup": 62
},
{
"id": "jvasp-92695",
"created_at": "2022-09-04T14:35:41.393324Z",
"updated_at": "2022-09-04T14:35:41.393350Z",
"structure_string": "Ce1 Al3 Au1\n1.0\n4.329307 -0.000000 0.000000\n0.000000 4.329307 0.000000\n-2.164653 -2.164653 5.432975\nCe Al Au\n1 3 1\ndirect\n0.990742 0.990742 0.981481 Ce\n0.401521 0.401521 0.803040 Al\n0.753399 0.253398 0.506797 Al\n0.253398 0.753399 0.506797 Al\n0.628945 0.628945 0.257888 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ce",
"density": 6.816777973393387,
"density_atomic": 0.049101587160258135,
"volume": 101.82970223917532,
"volume_molar": 12.264656008664021,
"formula_full": "Ce1 Al3 Au1",
"formula_reduced": "CeAl3Au",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5104942939999997,
"spacegroup": 107
}
]
}