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=structure_string&page=4066",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4064",
"results": [
{
"id": "jvasp-39629",
"created_at": "2022-09-04T14:38:29.526968Z",
"updated_at": "2022-09-04T14:38:29.526994Z",
"structure_string": "Ti3 Ga1\n1.0\n-1.951805 1.951805 4.244062\n1.951805 -1.951805 4.244062\n1.951805 1.951805 -4.244062\nTi Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 5.4773974143134465,
"density_atomic": 0.0618508151710164,
"volume": 64.67174262683639,
"volume_molar": 9.736558432332524,
"formula_full": "Ti3 Ga1",
"formula_reduced": "Ti3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 2.68101183125,
"spacegroup": 139
},
{
"id": "jvasp-37043",
"created_at": "2022-09-04T14:35:53.821671Z",
"updated_at": "2022-09-04T14:35:53.821701Z",
"structure_string": "Ti3 Ga1\n1.0\n3.188414 3.188414 0.000000\n3.188414 0.000000 -3.188414\n0.000000 3.188414 -3.188414\nTi Ga\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 5.464302052972613,
"density_atomic": 0.06170294224659192,
"volume": 64.82673036910059,
"volume_molar": 9.759892382332263,
"formula_full": "Ti3 Ga1",
"formula_reduced": "Ti3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7124218312500004,
"spacegroup": 225
},
{
"id": "jvasp-18705",
"created_at": "2022-09-04T14:35:54.297316Z",
"updated_at": "2022-09-04T14:35:54.297345Z",
"structure_string": "Ti3 Ga3 Ni3\n1.0\n3.400678 -5.890148 0.000000\n3.400678 5.890148 -0.000000\n-0.000000 0.000000 3.115325\nTi Ga Ni\n3 3 3\ndirect\n0.391830 0.000000 0.499999 Ti\n0.608170 0.608170 0.499999 Ti\n0.000000 0.391830 0.499999 Ti\n0.725225 0.000000 0.000000 Ga\n0.274776 0.274776 0.000000 Ga\n0.000000 0.725225 0.000000 Ga\n0.000000 0.000000 0.499999 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Ti",
"density": 7.0365000538423415,
"density_atomic": 0.07211364279897595,
"volume": 124.80301439061134,
"volume_molar": 8.350903554806301,
"formula_full": "Ti3 Ga3 Ni3",
"formula_reduced": "TiGaNi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.126547686111111,
"spacegroup": 189
},
{
"id": "jvasp-37042",
"created_at": "2022-09-04T14:35:47.393836Z",
"updated_at": "2022-09-04T14:35:47.393859Z",
"structure_string": "Ti3 Ge1\n1.0\n3.168015 3.168015 0.000000\n3.168015 0.000000 -3.168015\n-0.000000 3.168015 -3.168015\nTi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti",
"density": 5.646709624030485,
"density_atomic": 0.06290255816151377,
"volume": 63.590418528436814,
"volume_molar": 9.573761284138964,
"formula_full": "Ti3 Ge1",
"formula_reduced": "Ti3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0019302375000008,
"spacegroup": 225
},
{
"id": "jvasp-17444",
"created_at": "2022-09-04T14:37:39.081370Z",
"updated_at": "2022-09-04T14:37:39.081398Z",
"structure_string": "Ti3 Ge3 Pd3\n1.0\n3.329004 -5.766005 0.000000\n3.329004 5.766005 -0.000000\n0.000000 0.000000 3.710109\nTi Ge Pd\n3 3 3\ndirect\n0.588554 0.588554 0.000000 Ti\n-0.000000 0.411445 0.000000 Ti\n0.411445 -0.000000 0.000000 Ti\n0.666666 0.333332 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.333332 0.666666 0.500000 Ge\n0.739178 -0.000000 0.500000 Pd\n0.260821 0.260821 0.500000 Pd\n-0.000000 0.739178 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Ti",
"density": 7.936893039024311,
"density_atomic": 0.0631882769717833,
"volume": 142.43148304263696,
"volume_molar": 9.530471550425698,
"formula_full": "Ti3 Ge3 Pd3",
"formula_reduced": "TiGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.645159994444444,
"spacegroup": 189
},
{
"id": "jvasp-98068",
"created_at": "2022-09-04T14:35:50.734251Z",
"updated_at": "2022-09-04T14:35:50.734276Z",
"structure_string": "Ti3 H24 C12 N3 O30\n1.0\n8.939816 0.000000 0.000000\n-4.469908 7.742107 -0.000000\n-0.000000 -0.000000 10.697885\nTi H C N O\n3 24 12 3 30\ndirect\n-0.000000 0.500000 0.833333 Ti\n0.500000 0.500000 0.166667 Ti\n0.500000 0.000000 0.500000 Ti\n0.079895 0.974562 0.888904 H\n0.897808 0.263302 0.346523 H\n0.736698 0.634506 0.679857 H\n0.920105 0.894666 0.777764 H\n0.263302 0.897808 0.986811 H\n0.263302 0.365495 0.679857 H\n0.974562 0.894666 0.222237 H\n0.025439 0.920105 0.444430 H\n0.079895 0.105334 0.777764 H\n0.634506 0.736698 0.653477 H\n0.736698 0.102192 0.986811 H\n0.634506 0.897808 0.013189 H\n0.102192 0.736698 0.346523 H\n0.025439 0.105334 0.222237 H\n0.102192 0.365495 0.320144 H\n0.894666 0.920105 0.555571 H\n0.105334 0.025439 0.111096 H\n0.974562 0.079895 0.444430 H\n0.920105 0.025439 0.888904 H\n0.365495 0.102192 0.013189 H\n0.365495 0.263302 0.653477 H\n0.105334 0.079895 0.555571 H\n0.897808 0.634506 0.320144 H\n0.894666 0.974562 0.111096 H\n0.213978 0.427955 0.000000 C\n0.310078 0.689923 0.666667 C\n0.786023 0.572045 0.000000 C\n0.689923 0.379845 0.000000 C\n0.213978 0.786023 0.666667 C\n0.620155 0.310078 0.333333 C\n0.379845 0.689923 0.333333 C\n0.786023 0.213978 0.666667 C\n0.572045 0.786023 0.333333 C\n0.310078 0.620155 0.000000 C\n0.427955 0.213978 0.333333 C\n0.689923 0.310078 0.666667 C\n0.000000 0.000000 0.833333 N\n0.000000 0.000000 0.166667 N\n0.000000 0.000000 0.500000 N\n0.749461 0.749461 0.666667 O\n0.453308 0.761692 0.608076 O\n-0.000000 0.250539 0.333333 O\n0.250540 0.000000 0.000000 O\n0.927642 0.280877 0.726510 O\n0.238308 0.546692 0.725257 O\n0.719124 0.072359 0.606824 O\n0.238308 0.691617 0.941411 O\n0.691617 0.453308 0.274743 O\n0.250540 0.250539 0.666667 O\n0.072359 0.353236 0.940158 O\n0.546692 0.308384 0.058590 O\n0.353236 0.280877 0.273491 O\n0.353236 0.072359 0.393176 O\n0.761692 0.453308 0.725257 O\n0.280877 0.927641 0.606824 O\n0.646765 0.719124 0.273491 O\n0.927642 0.646765 0.940158 O\n0.749461 0.000000 0.000000 O\n0.453309 0.691617 0.058590 O\n0.719124 0.646765 0.059842 O\n0.761692 0.308384 0.941411 O\n0.308384 0.546692 0.274743 O\n-0.000000 0.749461 0.333333 O\n0.072359 0.719124 0.726510 O\n0.546692 0.238308 0.608076 O\n0.691617 0.238308 0.391924 O\n0.308384 0.761692 0.391924 O\n0.280877 0.353236 0.059842 O\n0.646765 0.927641 0.393176 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Ti",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Ti",
"density": 1.87020358672584,
"density_atomic": 0.09724041911265233,
"volume": 740.4328432252901,
"volume_molar": 6.193042785041264,
"formula_full": "Ti3 H24 C12 N3 O30",
"formula_reduced": "TiH8C4NO10",
"formula_anonymous": "ABC4D8E10",
"energy_above_hull": 4.085421107638889,
"spacegroup": 181
},
{
"id": "jvasp-14939",
"created_at": "2022-09-04T14:36:07.560875Z",
"updated_at": "2022-09-04T14:36:07.560901Z",
"structure_string": "Ti3 Hg1\n1.0\n4.118853 0.000000 0.000000\n-0.000000 4.118853 0.000000\n-0.000000 -0.000000 4.118853\nTi Hg\n3 1\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Hg"
],
"chemical_system": "Hg-Ti",
"density": 8.179367662755993,
"density_atomic": 0.057244150381539405,
"volume": 69.87613534901821,
"volume_molar": 10.520098070914985,
"formula_full": "Ti3 Hg1",
"formula_reduced": "Ti3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4513149000000007,
"spacegroup": 221
},
{
"id": "jvasp-37036",
"created_at": "2022-09-04T14:35:53.857745Z",
"updated_at": "2022-09-04T14:35:53.857766Z",
"structure_string": "Ti3 In1\n1.0\n3.303988 3.303988 0.000000\n3.303988 0.000000 -3.303988\n-0.000000 3.303988 -3.303988\nTi In\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 5.9487834445562875,
"density_atomic": 0.05545166766569916,
"volume": 72.13489094890265,
"volume_molar": 10.860161675038544,
"formula_full": "Ti3 In1",
"formula_reduced": "Ti3In",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7392587425,
"spacegroup": 225
},
{
"id": "jvasp-101034",
"created_at": "2022-09-04T14:36:47.428590Z",
"updated_at": "2022-09-04T14:36:47.428600Z",
"structure_string": "Ti3 In1\n1.0\n4.147418 -0.000000 0.000000\n0.000000 4.147418 0.000000\n-0.000000 -0.000000 4.147418\nTi In\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 6.015062086767121,
"density_atomic": 0.056069484951445564,
"volume": 71.34005249850031,
"volume_molar": 10.740495949293964,
"formula_full": "Ti3 In1",
"formula_reduced": "Ti3In",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7131462425,
"spacegroup": 221
},
{
"id": "jvasp-17673",
"created_at": "2022-09-04T14:38:12.365140Z",
"updated_at": "2022-09-04T14:38:12.365172Z",
"structure_string": "Ti3 In1 C1\n1.0\n4.242193 -0.000000 0.000000\n-0.000000 4.242193 -0.000000\n-0.000000 -0.000000 4.242193\nTi In C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"In",
"C"
],
"chemical_system": "C-In-Ti",
"density": 5.882097443831319,
"density_atomic": 0.06549358074026221,
"volume": 76.34335981459398,
"volume_molar": 9.195009177896248,
"formula_full": "Ti3 In1 C1",
"formula_reduced": "Ti3InC",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.512794994000001,
"spacegroup": 221
},
{
"id": "jvasp-18015",
"created_at": "2022-09-04T14:37:30.507618Z",
"updated_at": "2022-09-04T14:37:30.507632Z",
"structure_string": "Ti3 In1 N1\n1.0\n4.195711 -0.000000 0.000000\n0.000000 4.195711 0.000000\n-0.000000 0.000000 4.195711\nTi In N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"In",
"N"
],
"chemical_system": "In-N-Ti",
"density": 6.124638693125259,
"density_atomic": 0.06769448757383918,
"volume": 73.86125782466623,
"volume_molar": 8.896057826615829,
"formula_full": "Ti3 In1 N1",
"formula_reduced": "Ti3InN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.254801644,
"spacegroup": 221
},
{
"id": "jvasp-16395",
"created_at": "2022-09-04T14:38:01.511615Z",
"updated_at": "2022-09-04T14:38:01.511627Z",
"structure_string": "Ti3 In3 Rh2\n1.0\n3.663699 -6.345713 -0.000000\n3.663699 6.345713 0.000000\n0.000000 -0.000000 3.070016\nTi In Rh\n3 3 2\ndirect\n0.000000 0.582801 0.500001 Ti\n0.417199 0.417199 0.500001 Ti\n0.582801 0.000000 0.500001 Ti\n0.000000 0.237196 0.000000 In\n0.762805 0.762805 0.000000 In\n0.237196 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Rh\n0.666667 0.333333 0.000000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"In",
"Rh"
],
"chemical_system": "In-Rh-Ti",
"density": 8.07149269359276,
"density_atomic": 0.05604271160244188,
"volume": 142.74826772749208,
"volume_molar": 10.745627018764033,
"formula_full": "Ti3 In3 Rh2",
"formula_reduced": "Ti3In3Rh2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.2432413637500006,
"spacegroup": 189
}
]
}