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=4037",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4035",
"results": [
{
"id": "jvasp-15863",
"created_at": "2022-09-04T14:37:51.417274Z",
"updated_at": "2022-09-04T14:37:51.417299Z",
"structure_string": "Ti2 As2\n1.0\n1.836682 -3.181227 0.000000\n1.836682 3.181227 -0.000000\n-0.000000 -0.000000 6.103326\nTi As\n2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333332 0.750001 As\n0.333332 0.666667 0.250000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"As"
],
"chemical_system": "As-Ti",
"density": 5.717576022357182,
"density_atomic": 0.05608345990512937,
"volume": 71.32227588608815,
"volume_molar": 10.737819617739415,
"formula_full": "Ti2 As2",
"formula_reduced": "TiAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.5833500416666664,
"spacegroup": 194
},
{
"id": "jvasp-79267",
"created_at": "2022-09-04T14:37:11.769050Z",
"updated_at": "2022-09-04T14:37:11.769071Z",
"structure_string": "Ti2 As2\n1.0\n3.588916 -0.000000 0.000000\n-1.794458 3.108092 0.000000\n0.000000 0.000000 6.372231\nTi As\n2 2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666668 0.333333 0.750000 Ti\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"As"
],
"chemical_system": "As-Ti",
"density": 5.737047830431631,
"density_atomic": 0.05627445804195405,
"volume": 71.0802047532452,
"volume_molar": 10.701374956841592,
"formula_full": "Ti2 As2",
"formula_reduced": "TiAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.6974900416666665,
"spacegroup": 194
},
{
"id": "jvasp-34679",
"created_at": "2022-09-04T14:38:09.409476Z",
"updated_at": "2022-09-04T14:38:09.409490Z",
"structure_string": "Ti2 As4 O14\n1.0\n5.238269 0.003016 -0.854790\n-0.895492 5.161160 -0.854790\n-0.013266 -0.015774 9.576426\nTi As O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.563045 0.825815 0.197420 As\n0.825814 0.563046 0.697421 As\n0.174186 0.436956 0.302580 As\n0.436955 0.174187 0.802580 As\n0.712143 0.035471 0.352797 O\n0.715672 0.077572 0.869573 O\n0.964530 0.287858 0.147204 O\n0.749584 0.761659 0.072834 O\n0.761658 0.749585 0.572834 O\n0.238342 0.250417 0.427166 O\n0.287857 0.964531 0.647204 O\n0.476900 0.523101 0.250000 O\n0.077570 0.715673 0.369573 O\n0.035470 0.712143 0.852797 O\n0.250416 0.238343 0.927166 O\n0.284328 0.922430 0.130427 O\n0.922430 0.284329 0.630428 O\n0.523100 0.476901 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"As",
"O"
],
"chemical_system": "As-O-Ti",
"density": 3.9745104223185974,
"density_atomic": 0.07728316927525164,
"volume": 258.7885588486676,
"volume_molar": 7.792305642321099,
"formula_full": "Ti2 As4 O14",
"formula_reduced": "TiAs2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.8570516333333327,
"spacegroup": 15
},
{
"id": "jvasp-105379",
"created_at": "2022-09-04T14:38:44.486826Z",
"updated_at": "2022-09-04T14:38:44.486845Z",
"structure_string": "Ti2 As4 W3\n1.0\n5.138373 0.006772 4.746829\n4.036793 3.179186 4.746829\n-0.017608 -0.006114 9.549376\nTi As W\n2 4 3\ndirect\n0.998524 0.998527 0.002650 Ti\n0.632213 0.632217 0.669813 Ti\n0.713852 0.713855 0.340519 As\n0.279073 0.279076 0.667234 As\n0.053349 0.053350 0.237143 As\n0.946855 0.946860 0.768013 As\n0.374100 0.374102 0.318283 W\n0.306305 0.306306 0.060660 W\n0.695712 0.695716 0.935691 W\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"As",
"W"
],
"chemical_system": "As-Ti-W",
"density": 10.077545447381485,
"density_atomic": 0.057680037200188085,
"volume": 156.03318646907275,
"volume_molar": 10.440597912756484,
"formula_full": "Ti2 As4 W3",
"formula_reduced": "Ti2As4W3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 5.318794851851852,
"spacegroup": 8
},
{
"id": "jvasp-37040",
"created_at": "2022-09-04T14:38:10.629094Z",
"updated_at": "2022-09-04T14:38:10.629120Z",
"structure_string": "Ti2 Au2\n1.0\n2.996381 0.000000 0.000000\n0.000000 4.613892 -0.000000\n0.000000 -0.000000 4.913190\nTi Au\n2 2\ndirect\n0.000000 0.750000 0.313059 Ti\n0.000000 0.250000 0.686941 Ti\n0.500000 0.750000 0.817672 Au\n0.500000 0.250000 0.182328 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 11.970768667826984,
"density_atomic": 0.05888870079573479,
"volume": 67.9247452558796,
"volume_molar": 10.226309425451229,
"formula_full": "Ti2 Au2",
"formula_reduced": "TiAu",
"formula_anonymous": "AB",
"energy_above_hull": 1.213232951666667,
"spacegroup": 51
},
{
"id": "jvasp-37033",
"created_at": "2022-09-04T14:38:12.488328Z",
"updated_at": "2022-09-04T14:38:12.488347Z",
"structure_string": "Ti2 Au2\n1.0\n3.350382 0.000000 0.000000\n0.000000 3.350382 -0.000000\n0.000000 -0.000000 6.072822\nTi Au\n2 2\ndirect\n0.500000 0.000000 0.865137 Ti\n0.000000 0.500000 0.134863 Ti\n0.500000 0.000000 0.357809 Au\n0.000000 0.500000 0.642191 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 11.928088462809523,
"density_atomic": 0.05867874085975097,
"volume": 68.1677885617973,
"volume_molar": 10.262900450426534,
"formula_full": "Ti2 Au2",
"formula_reduced": "TiAu",
"formula_anonymous": "AB",
"energy_above_hull": 1.1902129516666669,
"spacegroup": 129
},
{
"id": "jvasp-54877",
"created_at": "2022-09-04T14:37:08.353699Z",
"updated_at": "2022-09-04T14:37:08.353726Z",
"structure_string": "Ti2 B1 Rh6\n1.0\n4.831280 -0.000000 2.789341\n1.610427 4.554975 2.789341\n0.000000 0.000000 5.578683\nTi B Rh\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750001 0.749999 Ti\n0.500000 0.500000 0.499999 B\n0.241378 0.758623 0.758621 Rh\n0.241378 0.241378 0.758622 Rh\n0.758622 0.241378 0.758622 Rh\n0.758622 0.241378 0.241377 Rh\n0.241378 0.758623 0.241377 Rh\n0.758622 0.758623 0.241377 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"B",
"Rh"
],
"chemical_system": "B-Rh-Ti",
"density": 9.792522474138858,
"density_atomic": 0.07330989875327207,
"volume": 122.76650429282307,
"volume_molar": 8.214635216272498,
"formula_full": "Ti2 B1 Rh6",
"formula_reduced": "Ti2BRh6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.803500805555556,
"spacegroup": 225
},
{
"id": "jvasp-58436",
"created_at": "2022-09-04T14:38:34.982311Z",
"updated_at": "2022-09-04T14:38:34.982340Z",
"structure_string": "Ti2 B2 O6\n1.0\n4.258141 -0.015719 3.709500\n1.678653 3.913328 3.709500\n-0.023944 -0.015719 5.647264\nTi B O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n0.455065 0.044935 0.749999 O\n0.750000 0.455065 0.044936 O\n0.955065 0.250000 0.544935 O\n0.544935 0.955065 0.250000 O\n0.250000 0.544935 0.955064 O\n0.044935 0.750000 0.455064 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"B",
"O"
],
"chemical_system": "B-O-Ti",
"density": 3.7390397844059753,
"density_atomic": 0.10553911695726995,
"volume": 94.7515981590858,
"volume_molar": 5.706074613489715,
"formula_full": "Ti2 B2 O6",
"formula_reduced": "TiBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.749106283333333,
"spacegroup": 167
},
{
"id": "jvasp-21806",
"created_at": "2022-09-04T14:38:28.152567Z",
"updated_at": "2022-09-04T14:38:28.152585Z",
"structure_string": "Ti2 Be17\n1.0\n5.504507 -0.001628 0.694516\n0.612191 5.470358 0.694516\n-0.001820 -0.001628 5.548148\nTi Be\n2 17\ndirect\n0.836127 0.836126 0.836128 Ti\n0.163874 0.163874 0.163874 Ti\n0.846039 0.846038 0.339600 Be\n0.846039 0.339598 0.846040 Be\n0.339599 0.846038 0.846040 Be\n0.660402 0.153961 0.153962 Be\n0.153962 0.153961 0.660402 Be\n0.153961 0.660402 0.153962 Be\n0.500000 0.795067 0.204934 Be\n0.401164 0.401164 0.401165 Be\n0.500000 0.204932 0.795068 Be\n0.204933 0.795067 0.500001 Be\n0.795068 0.500000 0.204934 Be\n0.500000 -0.000000 0.500001 Be\n-0.000000 0.500000 0.500001 Be\n0.500000 0.500000 0.000001 Be\n0.598836 0.598836 0.598837 Be\n0.204933 0.500000 0.795068 Be\n0.795068 0.204932 0.500001 Be\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ti",
"Be"
],
"chemical_system": "Be-Ti",
"density": 2.4740971215342924,
"density_atomic": 0.1137168061830103,
"volume": 167.08172378163982,
"volume_molar": 5.295735047560393,
"formula_full": "Ti2 Be17",
"formula_reduced": "Ti2Be17",
"formula_anonymous": "A2B17",
"energy_above_hull": 2.571580545614035,
"spacegroup": 166
},
{
"id": "jvasp-74033",
"created_at": "2022-09-04T14:35:52.929818Z",
"updated_at": "2022-09-04T14:35:52.929845Z",
"structure_string": "Ti2 Be1 Bi1\n1.0\n3.539935 -0.000000 0.000000\n-0.000000 3.539935 0.000000\n0.000000 0.000000 5.722902\nTi Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.038917 Ti\n0.500001 0.500001 0.252636 Ti\n0.000000 0.000000 0.460816 Be\n0.500001 0.500001 0.747630 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Ti",
"density": 7.2642959828001565,
"density_atomic": 0.05577673739593156,
"volume": 71.71448504787887,
"volume_molar": 10.796868087231049,
"formula_full": "Ti2 Be1 Bi1",
"formula_reduced": "Ti2BeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.625836766666667,
"spacegroup": 99
},
{
"id": "jvasp-71004",
"created_at": "2022-09-04T14:35:57.262437Z",
"updated_at": "2022-09-04T14:35:57.262455Z",
"structure_string": "Ti2 Be1 Cl1\n1.0\n2.912112 0.000000 0.000000\n0.000000 2.912112 0.000000\n0.000000 0.000000 8.459932\nTi Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.999196 Ti\n0.500000 0.500000 0.251970 Ti\n0.000000 0.000000 0.429403 Be\n0.500000 0.500000 0.819430 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Ti",
"density": 3.2449765077317547,
"density_atomic": 0.05575412073148058,
"volume": 71.74357603565382,
"volume_molar": 10.80124783781175,
"formula_full": "Ti2 Be1 Cl1",
"formula_reduced": "Ti2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.348746708541667,
"spacegroup": 99
},
{
"id": "jvasp-67921",
"created_at": "2022-09-04T14:36:05.261167Z",
"updated_at": "2022-09-04T14:36:05.261195Z",
"structure_string": "Ti2 Be1 Co1\n1.0\n-1.770765 1.770765 4.090651\n1.770765 -1.770765 4.090651\n1.770765 1.770765 -4.090651\nTi Be Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.749999 0.499999 Ti\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Co"
],
"chemical_system": "Be-Co-Ti",
"density": 5.297473369420175,
"density_atomic": 0.07796249203471607,
"volume": 51.306723215297325,
"volume_molar": 7.7244077284220065,
"formula_full": "Ti2 Be1 Co1",
"formula_reduced": "Ti2BeCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1523484166666678,
"spacegroup": 119
}
]
}