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=-elements&page=1155",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1153",
"results": [
{
"id": "jvasp-30692",
"created_at": "2022-09-04T14:37:59.347501Z",
"updated_at": "2022-09-04T14:37:59.347528Z",
"structure_string": "Ti6 Al2 F30\n1.0\n9.353043 0.164456 0.000000\n-1.461123 5.743841 0.000000\n0.000000 0.000000 9.775560\nTi Al F\n6 2 30\ndirect\n0.166667 0.000000 0.500000 Ti\n0.498239 0.969261 0.444544 Ti\n0.835094 0.030740 0.555456 Ti\n0.166667 0.000000 0.000000 Ti\n0.498239 0.969261 0.055456 Ti\n0.835094 0.030740 0.944544 Ti\n0.894062 0.444176 0.250000 Al\n0.439271 0.555824 0.750000 Al\n0.526589 0.251185 0.120004 F\n0.870339 0.274229 0.098302 F\n0.214081 0.245723 0.387148 F\n0.526589 0.251185 0.379996 F\n0.870339 0.274229 0.401698 F\n0.119253 0.754277 0.612852 F\n0.364220 0.093378 0.918694 F\n0.806744 0.748815 0.620004 F\n0.041196 0.164665 0.896121 F\n0.214081 0.245723 0.112852 F\n0.650168 0.122887 0.915466 F\n0.292138 0.835336 0.103879 F\n0.462994 0.725772 0.598302 F\n0.806744 0.748815 0.879996 F\n0.683165 0.877114 0.415466 F\n0.119253 0.754277 0.887148 F\n0.969113 0.906623 0.418694 F\n0.683165 0.877114 0.084534 F\n0.292138 0.835336 0.396121 F\n0.650168 0.122887 0.584534 F\n0.364220 0.093378 0.581306 F\n0.041196 0.164665 0.603879 F\n0.834792 0.133161 0.750000 F\n0.581546 0.433093 0.750000 F\n0.266545 0.401709 0.750000 F\n0.751788 0.566908 0.250000 F\n0.498541 0.866840 0.250000 F\n0.066789 0.598291 0.250000 F\n0.462994 0.725772 0.901698 F\n0.969113 0.906623 0.081306 F\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ti",
"Al",
"F"
],
"chemical_system": "Al-F-Ti",
"density": 2.868059491007758,
"density_atomic": 0.07203580638393298,
"volume": 527.5154386065927,
"volume_molar": 8.359926906215895,
"formula_full": "Ti6 Al2 F30",
"formula_reduced": "Ti3AlF15",
"formula_anonymous": "AB3C15",
"energy_above_hull": 0.5510532651315788,
"spacegroup": 11
},
{
"id": "jvasp-37058",
"created_at": "2022-09-04T14:38:03.908022Z",
"updated_at": "2022-09-04T14:38:03.908040Z",
"structure_string": "Ti2 Al1 Cu1\n1.0\n3.150889 3.150889 0.000000\n3.150889 0.000000 -3.150889\n0.000000 3.150889 -3.150889\nTi Al Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Ti",
"density": 4.943596040683417,
"density_atomic": 0.06393382434533902,
"volume": 62.56469155347209,
"volume_molar": 9.4193344785248,
"formula_full": "Ti2 Al1 Cu1",
"formula_reduced": "Ti2AlCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.215472479166667,
"spacegroup": 216
},
{
"id": "jvasp-102173",
"created_at": "2022-09-04T14:36:39.810944Z",
"updated_at": "2022-09-04T14:36:39.810969Z",
"structure_string": "Ti1 Al1 Cu2\n1.0\n2.883579 0.000000 -0.000000\n0.000000 2.883579 0.000000\n-0.000000 0.000000 6.690474\nTi Al Cu\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.233711 Cu\n0.500000 0.500000 0.766289 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Ti",
"density": 6.027705316007083,
"density_atomic": 0.07190173926839143,
"volume": 55.63147763462283,
"volume_molar": 8.375514725062263,
"formula_full": "Ti1 Al1 Cu2",
"formula_reduced": "TiAlCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1172705083333336,
"spacegroup": 123
},
{
"id": "jvasp-15444",
"created_at": "2022-09-04T14:35:46.617668Z",
"updated_at": "2022-09-04T14:35:46.617689Z",
"structure_string": "Ti1 Al1 Cu2\n1.0\n3.695959 0.000000 2.133862\n1.231987 3.484583 2.133862\n0.000000 0.000000 4.267725\nTi Al Cu\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.249999 Cu\n0.750001 0.749999 0.749998 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Ti",
"density": 6.100960628515233,
"density_atomic": 0.07277556837977782,
"volume": 54.96350065074149,
"volume_molar": 8.27494843952792,
"formula_full": "Ti1 Al1 Cu2",
"formula_reduced": "TiAlCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0880180083333335,
"spacegroup": 225
},
{
"id": "jvasp-37062",
"created_at": "2022-09-04T14:37:58.096823Z",
"updated_at": "2022-09-04T14:37:58.096843Z",
"structure_string": "Ti2 Al1 Cr1\n1.0\n3.096858 3.096858 -0.000000\n3.096858 0.000000 -3.096858\n-0.000000 3.096858 -3.096858\nTi Al Cr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Ti",
"density": 4.884015823321931,
"density_atomic": 0.06733891573100087,
"volume": 59.401015840213724,
"volume_molar": 8.943031966918918,
"formula_full": "Ti2 Al1 Cr1",
"formula_reduced": "Ti2AlCr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5155592166666665,
"spacegroup": 216
},
{
"id": "jvasp-100332",
"created_at": "2022-09-04T14:36:46.553872Z",
"updated_at": "2022-09-04T14:36:46.553903Z",
"structure_string": "Ti2 Al1 Cr1\n1.0\n3.120002 0.000000 -0.000000\n0.000000 3.120002 0.000000\n0.000000 0.000000 6.180285\nTi Al Cr\n2 1 1\ndirect\n0.500000 0.500000 0.276997 Ti\n0.500000 0.500000 0.723004 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Ti",
"density": 4.822282922838451,
"density_atomic": 0.06648776644445743,
"volume": 60.16144343398152,
"volume_molar": 9.057517017105361,
"formula_full": "Ti2 Al1 Cr1",
"formula_reduced": "Ti2AlCr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4643442166666665,
"spacegroup": 123
},
{
"id": "jvasp-108062",
"created_at": "2022-09-04T14:36:15.010071Z",
"updated_at": "2022-09-04T14:36:15.010101Z",
"structure_string": "Ti1 Al1 Co2\n1.0\n2.950138 -0.000000 0.000000\n0.000000 2.950138 0.000000\n0.000000 -0.000000 5.659232\nTi Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.251024 Co\n0.500000 0.500000 0.748976 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ti",
"density": 6.49714103820607,
"density_atomic": 0.08121155567430356,
"volume": 49.25407433446881,
"volume_molar": 7.4153742161418625,
"formula_full": "Ti1 Al1 Co2",
"formula_reduced": "TiAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.874933233333333,
"spacegroup": 123
},
{
"id": "jvasp-79511",
"created_at": "2022-09-04T14:37:15.105407Z",
"updated_at": "2022-09-04T14:37:15.105434Z",
"structure_string": "Ti2 Al1 Co1\n1.0\n-3.062066 -3.062066 0.000000\n-3.062066 -0.000000 -3.062066\n-0.000000 -3.062066 -3.062066\nTi Al Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Al\n0.500001 0.500001 0.500001 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ti",
"density": 5.253005244608693,
"density_atomic": 0.06966046254226994,
"volume": 57.42138157025302,
"volume_molar": 8.644991061243338,
"formula_full": "Ti2 Al1 Co1",
"formula_reduced": "Ti2AlCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0853475916666664,
"spacegroup": 216
},
{
"id": "jvasp-80111",
"created_at": "2022-09-04T14:37:15.530059Z",
"updated_at": "2022-09-04T14:37:15.530078Z",
"structure_string": "Ti1 Al1 Co2\n1.0\n-2.910652 -2.910652 -0.000000\n-2.910652 0.000000 -2.910652\n0.000000 -2.910652 -2.910652\nTi Al Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Co\n0.749999 0.749999 0.749999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ti",
"density": 6.488788346932794,
"density_atomic": 0.08110715051388284,
"volume": 49.31747663007016,
"volume_molar": 7.424919654857324,
"formula_full": "Ti1 Al1 Co2",
"formula_reduced": "TiAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8578607333333337,
"spacegroup": 225
},
{
"id": "jvasp-15570",
"created_at": "2022-09-04T14:36:36.287805Z",
"updated_at": "2022-09-04T14:36:36.287815Z",
"structure_string": "Ti1 Al1 Co2\n1.0\n3.564817 -0.000000 2.058148\n1.188272 3.360942 2.058148\n-0.000000 0.000000 4.116296\nTi Al Co\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250001 Co\n0.750000 0.750000 0.750002 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ti",
"density": 6.488728468197155,
"density_atomic": 0.08110640205463832,
"volume": 49.31793173743981,
"volume_molar": 7.424988172873348,
"formula_full": "Ti1 Al1 Co2",
"formula_reduced": "TiAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8578607333333337,
"spacegroup": 225
},
{
"id": "jvasp-20914",
"created_at": "2022-09-04T14:38:28.735062Z",
"updated_at": "2022-09-04T14:38:28.735096Z",
"structure_string": "Ti6 Al2 C4\n1.0\n1.542729 -2.672086 -0.000000\n1.542729 2.672086 0.000000\n0.000000 0.000000 18.651373\nTi Al C\n6 2 4\ndirect\n0.666667 0.333333 0.372814 Ti\n0.333333 0.666667 0.872814 Ti\n0.333333 0.666667 0.627186 Ti\n0.666667 0.333333 0.127186 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.333333 0.666667 0.430521 C\n0.666667 0.333333 0.930521 C\n0.333333 0.666667 0.069479 C\n0.666667 0.333333 0.569479 C\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Al",
"C"
],
"chemical_system": "Al-C-Ti",
"density": 4.20290758553322,
"density_atomic": 0.07803696453068465,
"volume": 153.77328003681538,
"volume_molar": 7.717036145905002,
"formula_full": "Ti6 Al2 C4",
"formula_reduced": "Ti3AlC2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.527547966666667,
"spacegroup": 194
},
{
"id": "jvasp-16891",
"created_at": "2022-09-04T14:38:12.657593Z",
"updated_at": "2022-09-04T14:38:12.657616Z",
"structure_string": "Ti4 Al2 C2\n1.0\n1.536690 -2.661624 0.000000\n1.536690 2.661624 0.000000\n0.000000 0.000000 13.731026\nTi Al C\n4 2 2\ndirect\n0.333333 0.666667 0.916339 Ti\n0.666667 0.333333 0.416339 Ti\n0.666667 0.333333 0.083661 Ti\n0.333333 0.666667 0.583661 Ti\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"C"
],
"chemical_system": "Al-C-Ti",
"density": 3.9835046079755214,
"density_atomic": 0.07122361827929004,
"volume": 112.32229130271791,
"volume_molar": 8.455258108883639,
"formula_full": "Ti4 Al2 C2",
"formula_reduced": "Ti2AlC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.651864866666667,
"spacegroup": 194
}
]
}