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_full&page=3992",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3990",
"results": [
{
"id": "jvasp-75646",
"created_at": "2022-09-04T14:35:47.493798Z",
"updated_at": "2022-09-04T14:35:47.493824Z",
"structure_string": "Ti1 As1 Au1\n1.0\n-0.000000 3.122564 3.122564\n3.122564 0.000000 3.122564\n3.122564 3.122564 0.000000\nTi As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"As",
"Au"
],
"chemical_system": "As-Au-Ti",
"density": 8.719721823843704,
"density_atomic": 0.04926712433791261,
"volume": 60.892533110389095,
"volume_molar": 12.223446854124127,
"formula_full": "Ti1 As1 Au1",
"formula_reduced": "TiAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.949749217777777,
"spacegroup": 216
},
{
"id": "jvasp-75751",
"created_at": "2022-09-04T14:36:13.791691Z",
"updated_at": "2022-09-04T14:36:13.791720Z",
"structure_string": "Ti1 As1 Os2\n1.0\n0.000000 3.131307 3.131307\n3.131307 0.000000 3.131307\n3.131307 3.131307 -0.000000\nTi As Os\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"Os"
],
"chemical_system": "As-Os-Ti",
"density": 13.608953514371562,
"density_atomic": 0.06514079418256834,
"volume": 61.40545337518159,
"volume_molar": 9.244807091424015,
"formula_full": "Ti1 As1 Os2",
"formula_reduced": "TiAsOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.569667520833334,
"spacegroup": 216
},
{
"id": "jvasp-75778",
"created_at": "2022-09-04T14:35:59.949640Z",
"updated_at": "2022-09-04T14:35:59.949667Z",
"structure_string": "Ti1 As1 P2\n1.0\n-0.000000 3.194589 3.194589\n3.194589 -0.000000 3.194589\n3.194589 3.194589 0.000000\nTi As P\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"P"
],
"chemical_system": "As-P-Ti",
"density": 4.70463519740801,
"density_atomic": 0.06134582620783436,
"volume": 65.20410999842672,
"volume_molar": 9.816708213526226,
"formula_full": "Ti1 As1 P2",
"formula_reduced": "TiAsP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.079030270833333,
"spacegroup": 216
},
{
"id": "jvasp-75747",
"created_at": "2022-09-04T14:36:06.206198Z",
"updated_at": "2022-09-04T14:36:06.206218Z",
"structure_string": "Ti1 As1 Pd2\n1.0\n0.000000 3.152997 3.152997\n3.152997 0.000000 3.152997\n3.152997 3.152997 -0.000000\nTi As Pd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"Pd"
],
"chemical_system": "As-Pd-Ti",
"density": 8.89011523898648,
"density_atomic": 0.06380567729960922,
"volume": 62.690346208808265,
"volume_molar": 9.438252229064394,
"formula_full": "Ti1 As1 Pd2",
"formula_reduced": "TiAsPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.244367870833333,
"spacegroup": 216
},
{
"id": "jvasp-40830",
"created_at": "2022-09-04T14:37:50.137759Z",
"updated_at": "2022-09-04T14:37:50.137782Z",
"structure_string": "Ti1 As1 Rh1\n1.0\n3.649304 0.000012 2.106911\n1.216432 3.440606 2.106935\n0.000004 0.000033 4.213814\nTi As Rh\n1 1 1\ndirect\n0.249997 0.250003 0.250001 Ti\n0.000000 0.000000 0.000003 As\n0.500001 0.499998 0.499996 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"As",
"Rh"
],
"chemical_system": "As-Rh-Ti",
"density": 7.083552022643757,
"density_atomic": 0.05670260858731153,
"volume": 52.90761879818201,
"volume_molar": 10.6205709226358,
"formula_full": "Ti1 As1 Rh1",
"formula_reduced": "TiAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5280876944444453,
"spacegroup": 216
},
{
"id": "jvasp-75654",
"created_at": "2022-09-04T14:35:41.362228Z",
"updated_at": "2022-09-04T14:35:41.362260Z",
"structure_string": "Ti1 As1 Ru2\n1.0\n-0.000000 3.098871 3.098871\n3.098871 -0.000000 3.098871\n3.098871 3.098871 -0.000000\nTi As Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"Ru"
],
"chemical_system": "As-Ru-Ti",
"density": 9.065599894980316,
"density_atomic": 0.06720777261254236,
"volume": 59.51692556544445,
"volume_molar": 8.960482583938727,
"formula_full": "Ti1 As1 Ru2",
"formula_reduced": "TiAsRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.7794927708333335,
"spacegroup": 216
},
{
"id": "jvasp-75533",
"created_at": "2022-09-04T14:36:06.134497Z",
"updated_at": "2022-09-04T14:36:06.134521Z",
"structure_string": "Ti1 As1 Se1\n1.0\n-0.000000 3.143705 3.143705\n3.143705 0.000000 3.143705\n3.143705 3.143705 0.000000\nTi As Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 As\n0.250000 0.250000 0.250000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"As",
"Se"
],
"chemical_system": "As-Se-Ti",
"density": 5.391433763500965,
"density_atomic": 0.04827984883152537,
"volume": 62.13772562686827,
"volume_molar": 12.473404341041999,
"formula_full": "Ti1 As1 Se1",
"formula_reduced": "TiAsSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2636744833333333,
"spacegroup": 216
},
{
"id": "jvasp-75856",
"created_at": "2022-09-04T14:36:06.613814Z",
"updated_at": "2022-09-04T14:36:06.613840Z",
"structure_string": "Ti1 As1 W2\n1.0\n0.000000 3.164568 3.164568\n3.164568 0.000000 3.164568\n3.164568 3.164568 -0.000000\nTi As W\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"W"
],
"chemical_system": "As-Ti-W",
"density": 12.849523237166208,
"density_atomic": 0.06310833163211443,
"volume": 63.383073146628526,
"volume_molar": 9.542544707259328,
"formula_full": "Ti1 As1 W2",
"formula_reduced": "TiAsW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.522087520833333,
"spacegroup": 216
},
{
"id": "jvasp-7702",
"created_at": "2022-09-04T14:37:06.857569Z",
"updated_at": "2022-09-04T14:37:06.857599Z",
"structure_string": "Ti1 Au1\n1.0\n3.263150 0.000000 -0.000000\n0.000000 3.263150 0.000000\n0.000000 -0.000000 3.263150\nTi Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 11.700621949995151,
"density_atomic": 0.0575597477703451,
"volume": 34.74650389330587,
"volume_molar": 10.462416868168798,
"formula_full": "Ti1 Au1",
"formula_reduced": "TiAu",
"formula_anonymous": "AB",
"energy_above_hull": 1.2471979516666667,
"spacegroup": 221
},
{
"id": "jvasp-78754",
"created_at": "2022-09-04T14:37:01.720203Z",
"updated_at": "2022-09-04T14:37:01.720221Z",
"structure_string": "Ti1 Au1 Cl1\n1.0\n3.780736 0.000000 2.182810\n1.260245 3.564513 2.182810\n-0.000000 -0.000000 4.365619\nTi Au Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Au\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Ti",
"density": 7.91095653413936,
"density_atomic": 0.050991626870953606,
"volume": 58.833188585887065,
"volume_molar": 11.810058100794576,
"formula_full": "Ti1 Au1 Cl1",
"formula_reduced": "TiAuCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.358663323611111,
"spacegroup": 216
},
{
"id": "jvasp-78509",
"created_at": "2022-09-04T14:36:37.990839Z",
"updated_at": "2022-09-04T14:36:37.990870Z",
"structure_string": "Ti1 Au2\n1.0\n3.460611 -0.000000 0.000000\n-0.000000 3.460611 0.000000\n-1.730306 -1.730306 4.289750\nTi Au\n1 2\ndirect\n0.500000 0.500000 -0.000000 Ti\n0.835969 0.835969 0.671941 Au\n0.164029 0.164029 0.328059 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 14.280302063286783,
"density_atomic": 0.05839608122767302,
"volume": 51.37331027922376,
"volume_molar": 10.312576860288013,
"formula_full": "Ti1 Au2",
"formula_reduced": "TiAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.233931157777778,
"spacegroup": 139
},
{
"id": "jvasp-35760",
"created_at": "2022-09-04T14:37:32.184256Z",
"updated_at": "2022-09-04T14:37:32.184291Z",
"structure_string": "Ti1 Au2\n1.0\n3.460545 0.000000 0.000000\n0.000000 3.460545 -0.000000\n-1.730273 -1.730273 4.289883\nTi Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.664029 0.664029 0.328056 Au\n0.335973 0.335973 0.671943 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 14.28040402871825,
"density_atomic": 0.058396498192355706,
"volume": 51.372943461748704,
"volume_molar": 10.312503226072412,
"formula_full": "Ti1 Au2",
"formula_reduced": "TiAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2339378244444443,
"spacegroup": 139
}
]
}