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=-formula_reduced&page=596",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=594",
"results": [
{
"id": "jvasp-114273",
"created_at": "2022-09-04T14:38:40.123240Z",
"updated_at": "2022-09-04T14:38:40.123267Z",
"structure_string": "Ti2 Cu2 S2\n1.0\n1.597125 -4.715727 -0.000000\n1.597125 4.715727 0.000000\n0.000000 -0.000000 5.775493\nTi Cu S\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.317283 0.682714 0.250000 Cu\n0.682714 0.317283 0.750000 Cu\n0.367499 0.632498 0.750000 S\n0.632498 0.367499 0.250000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ti",
"density": 5.477189751161031,
"density_atomic": 0.06896752323447458,
"volume": 86.99746951331433,
"volume_molar": 8.731850119549794,
"formula_full": "Ti2 Cu2 S2",
"formula_reduced": "TiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4121895944444445,
"spacegroup": 63
},
{
"id": "jvasp-110728",
"created_at": "2022-09-04T14:38:39.628589Z",
"updated_at": "2022-09-04T14:38:39.628615Z",
"structure_string": "Ti1 Cu1 O3\n1.0\n4.004897 -0.000000 0.000000\n0.000000 4.004897 0.000000\n0.000000 -0.000000 3.761512\nTi Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 4.3875570301842535,
"density_atomic": 0.08287524978617623,
"volume": 60.331643197460515,
"volume_molar": 7.2665129523440735,
"formula_full": "Ti1 Cu1 O3",
"formula_reduced": "TiCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8668918566666668,
"spacegroup": 123
},
{
"id": "jvasp-109354",
"created_at": "2022-09-04T14:37:56.195009Z",
"updated_at": "2022-09-04T14:37:56.195036Z",
"structure_string": "Ti1 Cu1 Ni2\n1.0\n3.060836 0.000000 0.000000\n0.000000 3.060836 0.000000\n0.000000 0.000000 5.220124\nTi Cu Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.754728 Ni\n0.500001 0.500001 0.245271 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Ti",
"density": 7.768618544053444,
"density_atomic": 0.08178978198268277,
"volume": 48.905864559547474,
"volume_molar": 7.362950009177257,
"formula_full": "Ti1 Cu1 Ni2",
"formula_reduced": "TiCuNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2853458958333333,
"spacegroup": 123
},
{
"id": "jvasp-91676",
"created_at": "2022-09-04T14:35:44.674038Z",
"updated_at": "2022-09-04T14:35:44.674067Z",
"structure_string": "Ti2 Cu2 Ni4\n1.0\n0.000000 4.238313 0.000000\n0.000000 0.000000 4.424400\n5.191641 0.000000 0.000000\nTi Cu Ni\n2 2 4\ndirect\n0.749999 0.329641 0.750000 Ti\n0.250000 0.670359 0.250000 Ti\n0.250000 0.690322 0.750000 Cu\n0.749999 0.309678 0.250000 Cu\n0.749999 0.824792 0.999191 Ni\n0.749999 0.824792 0.500809 Ni\n0.250000 0.175208 0.000809 Ni\n0.250000 0.175208 0.499191 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Ti",
"density": 7.805175455325629,
"density_atomic": 0.0821746614546194,
"volume": 97.35361069200104,
"volume_molar": 7.3284643385183905,
"formula_full": "Ti2 Cu2 Ni4",
"formula_reduced": "TiCuNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2778058958333331,
"spacegroup": 59
},
{
"id": "jvasp-7728",
"created_at": "2022-09-04T14:37:05.428557Z",
"updated_at": "2022-09-04T14:37:05.428585Z",
"structure_string": "Ti1 Cu1 Hg2\n1.0\n4.032929 0.000000 2.328413\n1.344310 3.802282 2.328413\n-0.000000 0.000000 4.656826\nTi Cu Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Ti",
"density": 11.919742064987195,
"density_atomic": 0.05601509545628006,
"volume": 71.40932220890369,
"volume_molar": 10.750924747955304,
"formula_full": "Ti1 Cu1 Hg2",
"formula_reduced": "TiCuHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0858144958333333,
"spacegroup": 216
},
{
"id": "jvasp-91743",
"created_at": "2022-09-04T14:36:18.137551Z",
"updated_at": "2022-09-04T14:36:18.137586Z",
"structure_string": "Ti2 Cu2 Ge2 As2\n1.0\n3.644037 -0.000000 -0.000000\n-0.000000 3.644037 -0.000000\n-0.000000 0.000000 9.378622\nTi Cu Ge As\n2 2 2 2\ndirect\n0.750001 0.750001 0.778484 Ti\n0.250000 0.250000 0.221516 Ti\n0.250000 0.750001 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.250000 0.750001 0.000000 Ge\n0.750001 0.250000 0.000000 Ge\n0.750001 0.750001 0.311471 As\n0.250000 0.250000 0.688529 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge-Ti",
"density": 6.906081129367353,
"density_atomic": 0.06423702197111587,
"volume": 124.53877459632537,
"volume_molar": 9.374875383712293,
"formula_full": "Ti2 Cu2 Ge2 As2",
"formula_reduced": "TiCuGeAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.530419120833333,
"spacegroup": 129
},
{
"id": "jvasp-92242",
"created_at": "2022-09-04T14:35:52.995178Z",
"updated_at": "2022-09-04T14:35:52.995206Z",
"structure_string": "Ti1 Cu3 O4\n1.0\n2.973034 0.057927 5.324307\n1.435609 2.604096 5.324307\n1.672607 1.009951 17.290730\nTi Cu O\n1 3 4\ndirect\n0.437696 0.437697 0.870159 Ti\n0.925455 0.925460 0.052486 Cu\n0.038743 0.038742 0.636352 Cu\n0.666154 0.666157 0.398745 Cu\n0.001265 0.001265 0.107026 O\n0.119906 0.119905 0.688560 O\n0.963576 0.963580 0.580776 O\n0.847200 0.847203 0.999229 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 4.949620154199721,
"density_atomic": 0.07882857016746143,
"volume": 101.48604729230787,
"volume_molar": 7.639540774628686,
"formula_full": "Ti1 Cu3 O4",
"formula_reduced": "TiCu3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5865467104166666,
"spacegroup": 8
},
{
"id": "jvasp-109672",
"created_at": "2022-09-04T14:38:15.884205Z",
"updated_at": "2022-09-04T14:38:15.884238Z",
"structure_string": "Ti1 Cu3 O4\n1.0\n2.979705 0.000000 0.000000\n-0.000000 5.214219 1.608828\n-0.000000 0.101144 6.027432\nTi Cu O\n1 3 4\ndirect\n0.500001 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500001 0.615799 0.673758 O\n0.000000 0.054661 0.689773 O\n0.500001 0.384201 0.326242 O\n0.000000 0.945339 0.310227 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 5.391849915288667,
"density_atomic": 0.08587160350458747,
"volume": 93.16234556598934,
"volume_molar": 7.012959481626871,
"formula_full": "Ti1 Cu3 O4",
"formula_reduced": "TiCu3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5818429604166666,
"spacegroup": 10
},
{
"id": "jvasp-16766",
"created_at": "2022-09-04T14:38:26.833490Z",
"updated_at": "2022-09-04T14:38:26.833510Z",
"structure_string": "Ti2 Cu6\n1.0\n4.326470 0.000000 0.000000\n0.000000 4.426286 0.000000\n0.000000 0.000000 5.460770\nTi Cu\n2 6\ndirect\n0.500000 0.661903 0.500000 Ti\n0.000000 0.338098 0.000000 Ti\n0.000000 0.831830 0.746070 Cu\n0.500000 0.168171 0.753930 Cu\n0.500000 0.680037 0.000000 Cu\n0.000000 0.319964 0.500000 Cu\n0.500000 0.168171 0.246070 Cu\n0.000000 0.831830 0.253930 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Cu"
],
"chemical_system": "Cu-Ti",
"density": 7.574422519247058,
"density_atomic": 0.0765002638978351,
"volume": 104.57480265275782,
"volume_molar": 7.872052269051612,
"formula_full": "Ti2 Cu6",
"formula_reduced": "TiCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6134924208333333,
"spacegroup": 59
},
{
"id": "jvasp-14178",
"created_at": "2022-09-04T14:36:48.037969Z",
"updated_at": "2022-09-04T14:36:48.037999Z",
"structure_string": "Ti2 Cu6\n1.0\n4.326656 0.000000 0.000000\n0.000000 4.426863 0.000000\n0.000000 0.000000 5.459613\nTi Cu\n2 6\ndirect\n0.500000 0.661868 0.500000 Ti\n0.000000 0.338131 0.000000 Ti\n0.000000 0.831882 0.746078 Cu\n0.500000 0.168117 0.753921 Cu\n0.500000 0.679995 0.000000 Cu\n0.000000 0.320004 0.500000 Cu\n0.500000 0.168117 0.246078 Cu\n0.000000 0.831882 0.253922 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Cu"
],
"chemical_system": "Cu-Ti",
"density": 7.5747145793615,
"density_atomic": 0.076503213650872,
"volume": 104.5707705366285,
"volume_molar": 7.87174874441547,
"formula_full": "Ti2 Cu6",
"formula_reduced": "TiCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6134924208333333,
"spacegroup": 59
},
{
"id": "jvasp-100296",
"created_at": "2022-09-04T14:36:54.804928Z",
"updated_at": "2022-09-04T14:36:54.804947Z",
"structure_string": "Ti1 Cu2 Sn1\n1.0\n3.844709 0.000000 2.219744\n1.281570 3.624827 2.219744\n0.000000 0.000000 4.439488\nTi Cu Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750001 0.749999 Cu\n0.500000 0.500000 0.499999 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Ti",
"density": 7.881766362459396,
"density_atomic": 0.06465116370957315,
"volume": 61.870502717767856,
"volume_molar": 9.314821906459015,
"formula_full": "Ti1 Cu2 Sn1",
"formula_reduced": "TiCu2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8361427333333333,
"spacegroup": 225
},
{
"id": "jvasp-103678",
"created_at": "2022-09-04T14:36:45.727170Z",
"updated_at": "2022-09-04T14:36:45.727183Z",
"structure_string": "Ti1 Cu2 Sn1\n1.0\n3.349399 -0.000000 0.000000\n0.000000 3.349399 0.000000\n-0.000000 -0.000000 5.803118\nTi Cu Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.718995 Cu\n0.000000 0.000000 0.281006 Cu\n0.500000 0.500000 -0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Ti",
"density": 7.49052102975371,
"density_atomic": 0.06144192546371009,
"volume": 65.10212643584144,
"volume_molar": 9.801354229298855,
"formula_full": "Ti1 Cu2 Sn1",
"formula_reduced": "TiCu2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8459477333333334,
"spacegroup": 123
}
]
}