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=-elements&page=3407",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3405",
"results": [
{
"id": "jvasp-35746",
"created_at": "2022-09-04T14:37:27.439851Z",
"updated_at": "2022-09-04T14:37:27.439875Z",
"structure_string": "Ba2 Br1 N1\n1.0\n-2.074814 -3.593685 -0.000000\n-4.149629 0.000000 -0.000000\n-2.074814 -1.197894 -7.920803\nBa Br N\n2 1 1\ndirect\n0.229109 0.229110 0.312671 Ba\n0.770889 0.770890 0.687329 Ba\n0.000000 0.000000 0.000000 Br\n0.499999 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Br",
"N"
],
"chemical_system": "Ba-Br-N",
"density": 5.181366894831194,
"density_atomic": 0.03386425317526136,
"volume": 118.11865388846357,
"volume_molar": 17.783179002451224,
"formula_full": "Ba2 Br1 N1",
"formula_reduced": "Ba2BrN",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8013048237499999,
"spacegroup": 166
},
{
"id": "jvasp-117538",
"created_at": "2022-09-04T14:38:51.241567Z",
"updated_at": "2022-09-04T14:38:51.241596Z",
"structure_string": "Ba2 Br2 F2\n1.0\n4.510890 0.000000 0.000000\n-0.000000 4.510890 -0.000000\n0.000000 0.000000 7.490665\nBa Br F\n2 2 2\ndirect\n0.500000 0.000000 0.806423 Ba\n0.000000 0.500000 0.193577 Ba\n0.000000 0.500000 0.648065 Br\n0.500000 0.000000 0.351935 Br\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"F"
],
"chemical_system": "Ba-Br-F",
"density": 5.147166269262007,
"density_atomic": 0.03936465069052643,
"volume": 152.42101466034273,
"volume_molar": 15.298346751110124,
"formula_full": "Ba2 Br2 F2",
"formula_reduced": "BaBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-3618",
"created_at": "2022-09-04T14:35:46.894823Z",
"updated_at": "2022-09-04T14:35:46.894841Z",
"structure_string": "Ba2 Br2 F2\n1.0\n4.527869 0.000000 0.000000\n0.000000 4.527869 0.000000\n0.000000 0.000000 7.480885\nBa Br F\n2 2 2\ndirect\n0.000000 0.500000 0.806384 Ba\n0.500000 0.000000 0.193616 Ba\n0.500000 0.000000 0.648767 Br\n0.000000 0.500000 0.351233 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"F"
],
"chemical_system": "Ba-Br-F",
"density": 5.115314739753813,
"density_atomic": 0.03912105561947992,
"volume": 153.3700945690321,
"volume_molar": 15.393604964487048,
"formula_full": "Ba2 Br2 F2",
"formula_reduced": "BaBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0055466666666668,
"spacegroup": 129
},
{
"id": "jvasp-117540",
"created_at": "2022-09-04T14:38:53.347446Z",
"updated_at": "2022-09-04T14:38:53.347474Z",
"structure_string": "Ba1 Br1 F1\n1.0\n6.171874 0.000000 -0.000000\n0.000000 6.171874 -0.000000\n-0.000000 0.000000 9.138333\nBa Br F\n1 1 1\ndirect\n0.000000 0.000000 0.203392 Ba\n0.000000 0.000000 0.528357 Br\n0.000000 0.000000 -0.043558 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"F"
],
"chemical_system": "Ba-Br-F",
"density": 1.1268911495863592,
"density_atomic": 0.008618271520510454,
"volume": 348.0976426491506,
"volume_molar": 69.8764334085788,
"formula_full": "Ba1 Br1 F1",
"formula_reduced": "BaBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5205900000000001,
"spacegroup": 99
},
{
"id": "jvasp-117531",
"created_at": "2022-09-04T14:38:51.634459Z",
"updated_at": "2022-09-04T14:38:51.634482Z",
"structure_string": "Ba2 Br2 Cl2\n1.0\n4.843424 -0.000000 0.000000\n-0.000000 4.843424 0.000000\n-0.000000 0.000000 8.225163\nBa Br Cl\n2 2 2\ndirect\n0.500000 0.000000 0.764320 Ba\n0.000000 0.500000 0.235680 Ba\n0.000000 0.500000 0.638301 Br\n0.500000 0.000000 0.361699 Br\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.349179619039735,
"density_atomic": 0.031095801711344972,
"volume": 192.95209223729273,
"volume_molar": 19.366410989824672,
"formula_full": "Ba2 Br2 Cl2",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0064666666666667,
"spacegroup": 129
},
{
"id": "jvasp-117527",
"created_at": "2022-09-04T14:38:44.529108Z",
"updated_at": "2022-09-04T14:38:44.529143Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n6.238986 0.001208 0.000000\n0.001181 5.922036 0.000000\n0.000000 0.000000 5.909993\nBa Br Cl\n1 1 1\ndirect\n-0.047623 -0.054212 0.000000 Ba\n0.452383 -0.054442 0.000000 Br\n-0.047663 0.445810 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 1.9215639245897633,
"density_atomic": 0.013738814215245039,
"volume": 218.3594561364038,
"volume_molar": 43.83304603768231,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2085833333333333,
"spacegroup": 47
},
{
"id": "jvasp-117533",
"created_at": "2022-09-04T14:38:51.679469Z",
"updated_at": "2022-09-04T14:38:51.679493Z",
"structure_string": "Ba1 Br1 Cl4\n1.0\n-0.000000 4.239177 4.239177\n4.239177 0.000000 4.239177\n4.239177 4.239177 -0.000000\nBa Br Cl\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Br\n0.375206 0.375206 0.874385 Cl\n0.375206 0.874385 0.375206 Cl\n0.874385 0.375206 0.375206 Cl\n0.375206 0.375206 0.375206 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 3.913099717677219,
"density_atomic": 0.03938008090826801,
"volume": 152.36129184133483,
"volume_molar": 15.292352430732633,
"formula_full": "Ba1 Br1 Cl4",
"formula_reduced": "BaBrCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.32087703375,
"spacegroup": 216
},
{
"id": "jvasp-69145",
"created_at": "2022-09-04T14:35:42.383400Z",
"updated_at": "2022-09-04T14:35:42.383428Z",
"structure_string": "Ba1 Br1 Cl4\n1.0\n-0.000000 4.236603 4.236603\n4.236603 -0.000000 4.236603\n4.236603 4.236603 -0.000000\nBa Br Cl\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.125553 0.624815 0.624815 Cl\n0.624815 0.624815 0.624815 Cl\n0.624815 0.125553 0.624815 Cl\n0.624815 0.624815 0.125553 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 3.9202364067697157,
"density_atomic": 0.03945190207669111,
"volume": 152.08392204605283,
"volume_molar": 15.264513098236622,
"formula_full": "Ba1 Br1 Cl4",
"formula_reduced": "BaBrCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3244687004166666,
"spacegroup": 216
},
{
"id": "jvasp-5443",
"created_at": "2022-09-04T14:38:00.692968Z",
"updated_at": "2022-09-04T14:38:00.692999Z",
"structure_string": "Ba4 Br4 Cl4\n1.0\n4.943100 0.000000 0.000000\n0.000000 7.972055 0.000000\n0.000000 0.000000 10.009760\nBa Br Cl\n4 4 4\ndirect\n0.750000 0.769794 0.105958 Ba\n0.250000 0.230207 0.894042 Ba\n0.750000 0.269794 0.394042 Ba\n0.250000 0.730207 0.605958 Ba\n0.750000 0.856712 0.419914 Br\n0.250000 0.143288 0.580086 Br\n0.750000 0.356712 0.080086 Br\n0.250000 0.643289 0.919914 Br\n0.750000 -0.016349 0.838262 Cl\n0.250000 0.016349 0.161738 Cl\n0.750000 0.483652 0.661738 Cl\n0.250000 0.516349 0.338262 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.254940433088864,
"density_atomic": 0.030422009572032522,
"volume": 394.4512597560881,
"volume_molar": 19.795341743420714,
"formula_full": "Ba4 Br4 Cl4",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0258333333333333,
"spacegroup": 62
},
{
"id": "jvasp-117532",
"created_at": "2022-09-04T14:38:35.583552Z",
"updated_at": "2022-09-04T14:38:35.583576Z",
"structure_string": "Ba2 Br1 Cl3\n1.0\n5.310661 -0.000000 -0.000000\n-2.655330 4.599167 0.000000\n0.000000 0.000000 7.202771\nBa Br Cl\n2 1 3\ndirect\n0.666666 0.333333 0.234347 Ba\n0.333332 0.666667 0.765653 Ba\n0.000000 0.000000 0.500000 Br\n0.000000 0.000000 0.000000 Cl\n0.666666 0.333333 0.774861 Cl\n0.333332 0.666667 0.225139 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.35055293763087,
"density_atomic": 0.03410545783726611,
"volume": 175.92492171279292,
"volume_molar": 17.657410695773656,
"formula_full": "Ba2 Br1 Cl3",
"formula_reduced": "Ba2BrCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-110652",
"created_at": "2022-09-04T14:38:35.890766Z",
"updated_at": "2022-09-04T14:38:35.890780Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n4.617157 -0.000000 2.665717\n1.539052 4.353097 2.665717\n-0.000000 -0.000000 5.331433\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 3.9157043884430327,
"density_atomic": 0.027996536792874963,
"volume": 107.15611085023528,
"volume_molar": 21.510306094476007,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0155266666666666,
"spacegroup": 216
},
{
"id": "jvasp-117529",
"created_at": "2022-09-04T14:38:35.559544Z",
"updated_at": "2022-09-04T14:38:35.559555Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n7.780118 -0.000000 -0.000000\n0.000000 7.780118 -0.000000\n-0.000000 -0.000000 10.344961\nBa Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.254185 Ba\n0.000000 0.000000 0.539083 Br\n0.000000 0.000000 -0.014172 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 0.6700783944354535,
"density_atomic": 0.0047909322469008135,
"volume": 626.182931712436,
"volume_molar": 125.69872520939194,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.45359,
"spacegroup": 99
}
]
}