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=created_at&page=599",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=597",
"results": [
{
"id": "jvasp-92360",
"created_at": "2022-09-04T14:36:00.572246Z",
"updated_at": "2022-09-04T14:36:00.572272Z",
"structure_string": "Ca2 Ga1 Cu2\n1.0\n3.951522 0.000000 -1.603258\n-1.071401 4.673695 -2.640664\n-0.019583 -0.033118 5.622986\nCa Ga Cu\n2 1 2\ndirect\n0.802163 0.302162 0.604324 Ca\n0.197838 0.697837 0.395676 Ca\n0.000000 0.000000 0.000000 Ga\n0.500000 0.737357 -0.000000 Cu\n0.500000 0.262642 -0.000000 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Cu"
],
"chemical_system": "Ca-Cu-Ga",
"density": 4.452403535227308,
"density_atomic": 0.04840398601067705,
"volume": 103.29727801543223,
"volume_molar": 12.441414966675726,
"formula_full": "Ca2 Ga1 Cu2",
"formula_reduced": "Ca2GaCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-69724",
"created_at": "2022-09-04T14:36:00.575818Z",
"updated_at": "2022-09-04T14:36:00.575853Z",
"structure_string": "Be2 Co1 Si1\n1.0\n-1.677813 1.677813 3.384555\n1.677813 -1.677813 3.384555\n1.677813 1.677813 -3.384555\nBe Co Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.499999 Be\n0.500001 0.500001 0.000000 Co\n0.750000 0.250000 0.499999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Si"
],
"chemical_system": "Be-Co-Si",
"density": 4.576861606949876,
"density_atomic": 0.10495697710256882,
"volume": 38.11085370809617,
"volume_molar": 5.737723137848078,
"formula_full": "Be2 Co1 Si1",
"formula_reduced": "Be2CoSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.456157925,
"spacegroup": 119
},
{
"id": "jvasp-86635",
"created_at": "2022-09-04T14:36:00.577237Z",
"updated_at": "2022-09-04T14:36:00.577262Z",
"structure_string": "La2 N2\n1.0\n4.179615 0.000000 -0.000000\n-2.089807 3.619653 -0.000000\n0.000000 0.000000 5.784189\nLa N\n2 2\ndirect\n0.333333 0.666666 0.991091 La\n0.666667 0.333333 0.491091 La\n0.333333 0.666666 0.418910 N\n0.666667 0.333333 0.918910 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"N"
],
"chemical_system": "La-N",
"density": 5.803305742595441,
"density_atomic": 0.04571032386408939,
"volume": 87.50758388615249,
"volume_molar": 13.174574693247951,
"formula_full": "La2 N2",
"formula_reduced": "LaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.6025791249999997,
"spacegroup": 186
},
{
"id": "jvasp-64336",
"created_at": "2022-09-04T14:36:00.579538Z",
"updated_at": "2022-09-04T14:36:00.579561Z",
"structure_string": "Ba4 Sc1 Se1\n1.0\n0.000000 5.057624 5.057624\n5.057624 0.000000 5.057624\n5.057624 5.057624 -0.000000\nBa Sc Se\n4 1 1\ndirect\n0.123176 0.625608 0.625608 Ba\n0.625608 0.625608 0.625608 Ba\n0.625608 0.123176 0.625608 Ba\n0.625608 0.625608 0.123176 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Se"
],
"chemical_system": "Ba-Sc-Se",
"density": 4.320549815195124,
"density_atomic": 0.02318897949960692,
"volume": 258.74359844518847,
"volume_molar": 25.969839509764036,
"formula_full": "Ba4 Sc1 Se1",
"formula_reduced": "Ba4ScSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6090004161111109,
"spacegroup": 216
},
{
"id": "jvasp-69604",
"created_at": "2022-09-04T14:36:00.585276Z",
"updated_at": "2022-09-04T14:36:00.585305Z",
"structure_string": "Be1 Fe1 Os1\n1.0\n1.324269 -2.293702 -0.000000\n1.324269 2.293702 0.000000\n-0.000000 0.000000 5.856525\nBe Fe Os\n1 1 1\ndirect\n0.000000 0.000000 0.007703 Be\n0.666667 0.333333 0.321184 Fe\n0.333333 0.666667 0.671111 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Os"
],
"chemical_system": "Be-Fe-Os",
"density": 11.905688908205887,
"density_atomic": 0.08432144717655446,
"volume": 35.57813700372719,
"volume_molar": 7.141884967166994,
"formula_full": "Be1 Fe1 Os1",
"formula_reduced": "BeFeOs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.361045533333334,
"spacegroup": 156
},
{
"id": "jvasp-69555",
"created_at": "2022-09-04T14:36:00.588477Z",
"updated_at": "2022-09-04T14:36:00.588505Z",
"structure_string": "Be2 Tl1 Ni1\n1.0\n2.898300 -0.000000 0.000000\n0.000000 2.898300 0.000000\n-0.000000 -0.000000 6.536371\nBe Tl Ni\n2 1 1\ndirect\n0.000000 0.000000 0.839887 Be\n0.000000 0.000000 0.160113 Be\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Ni"
],
"chemical_system": "Be-Ni-Tl",
"density": 8.501356310358164,
"density_atomic": 0.07285118546485969,
"volume": 54.906450382052185,
"volume_molar": 8.266359320816852,
"formula_full": "Be2 Tl1 Ni1",
"formula_reduced": "Be2TlNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0711243,
"spacegroup": 123
},
{
"id": "jvasp-12036",
"created_at": "2022-09-04T14:36:00.596285Z",
"updated_at": "2022-09-04T14:36:00.596320Z",
"structure_string": "Cu2 Se2\n1.0\n3.802003 0.000000 0.000000\n0.000000 3.802003 -0.000000\n0.000000 0.000000 5.402993\nCu Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.714481 Se\n0.000000 0.500000 0.285519 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 6.05972517068109,
"density_atomic": 0.05121541262454575,
"volume": 78.10148927869695,
"volume_molar": 11.758454050048597,
"formula_full": "Cu2 Se2",
"formula_reduced": "CuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2816369083333333,
"spacegroup": 129
},
{
"id": "jvasp-66732",
"created_at": "2022-09-04T14:36:00.601360Z",
"updated_at": "2022-09-04T14:36:00.601376Z",
"structure_string": "Sc1 Be2 Rh1\n1.0\n2.923163 0.000000 0.000000\n0.000000 2.923163 0.000000\n-0.000000 0.000000 6.068413\nSc Be Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.812099 Be\n0.000000 0.000000 0.187901 Be\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Rh"
],
"chemical_system": "Be-Rh-Sc",
"density": 5.312232203132682,
"density_atomic": 0.07713985094930703,
"volume": 51.85387255451954,
"volume_molar": 7.806782986860437,
"formula_full": "Sc1 Be2 Rh1",
"formula_reduced": "ScBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1884576125000006,
"spacegroup": 123
},
{
"id": "jvasp-90642",
"created_at": "2022-09-04T14:36:00.603927Z",
"updated_at": "2022-09-04T14:36:00.603944Z",
"structure_string": "K2 Co2 O4\n1.0\n4.832017 0.178676 -2.294494\n-2.949119 4.401119 -0.759003\n0.119602 -0.178673 5.347758\nK Co O\n2 2 4\ndirect\n0.499988 0.249985 0.749982 K\n-0.000000 0.499995 0.499999 K\n0.500003 0.749996 0.249990 Co\n-0.000001 -0.000001 0.000009 Co\n0.889279 0.910371 0.274420 O\n0.110727 0.385144 0.021116 O\n0.364051 -0.021082 0.089624 O\n0.635957 0.725599 0.614868 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 3.7268743857658704,
"density_atomic": 0.0690416403459723,
"volume": 115.87210210984941,
"volume_molar": 8.722476363282578,
"formula_full": "K2 Co2 O4",
"formula_reduced": "KCoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4582464750000002,
"spacegroup": 82
},
{
"id": "jvasp-64917",
"created_at": "2022-09-04T14:36:00.606143Z",
"updated_at": "2022-09-04T14:36:00.606172Z",
"structure_string": "Be2 Fe1 W1\n1.0\n-1.968181 1.968181 2.784263\n1.968181 -1.968181 2.784263\n1.968181 1.968181 -2.784263\nBe Fe W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n0.499999 0.499999 0.000000 Fe\n0.749999 0.250000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"W"
],
"chemical_system": "Be-Fe-W",
"density": 9.919253267198775,
"density_atomic": 0.09271706468501331,
"volume": 43.14200426414659,
"volume_molar": 6.495180558680276,
"formula_full": "Be2 Fe1 W1",
"formula_reduced": "Be2FeW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.727931924999999,
"spacegroup": 216
},
{
"id": "jvasp-85669",
"created_at": "2022-09-04T14:36:00.608219Z",
"updated_at": "2022-09-04T14:36:00.608254Z",
"structure_string": "H12 N4\n1.0\n3.437565 0.000000 0.000000\n0.000000 5.912974 0.000000\n0.000000 0.000000 5.733466\nH N\n12 4\ndirect\n0.624866 0.707132 0.269881 H\n0.875131 0.292867 0.769882 H\n0.124867 0.792867 0.730119 H\n0.375132 0.207132 0.230119 H\n0.018620 0.844501 0.185602 H\n0.481379 0.155498 0.685602 H\n0.518619 0.655498 0.814399 H\n0.981379 0.344502 0.314398 H\n0.771196 0.935490 0.412238 H\n0.728801 0.064509 0.912239 H\n0.271197 0.564509 0.587762 H\n0.228802 0.435491 0.087762 H\n0.741177 0.866135 0.248173 N\n0.758821 0.133864 0.748173 N\n0.241177 0.633864 0.751828 N\n0.258822 0.366136 0.251827 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 0.970650466879758,
"density_atomic": 0.13729219641748258,
"volume": 116.53976276515148,
"volume_molar": 4.386367846929681,
"formula_full": "H12 N4",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1409983125,
"spacegroup": 19
},
{
"id": "jvasp-66066",
"created_at": "2022-09-04T14:36:00.610271Z",
"updated_at": "2022-09-04T14:36:00.610302Z",
"structure_string": "Ba4 Zn1 W1\n1.0\n-0.000000 4.803156 4.803156\n4.803156 0.000000 4.803156\n4.803156 4.803156 0.000000\nBa Zn W\n4 1 1\ndirect\n0.127109 0.624297 0.624297 Ba\n0.624297 0.624297 0.624297 Ba\n0.624297 0.127109 0.624297 Ba\n0.624297 0.624297 0.127109 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"W"
],
"chemical_system": "Ba-W-Zn",
"density": 5.983357417061524,
"density_atomic": 0.027073298909447888,
"volume": 221.6205723605465,
"volume_molar": 22.243838034449613,
"formula_full": "Ba4 Zn1 W1",
"formula_reduced": "Ba4ZnW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.21254238,
"spacegroup": 216
}
]
}