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_reduced&page=335",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=333",
"results": [
{
"id": "jvasp-65733",
"created_at": "2022-09-04T14:35:42.647082Z",
"updated_at": "2022-09-04T14:35:42.647109Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n5.919570 -0.000000 -0.000000\n0.000000 5.919570 0.000000\n-0.000000 0.000000 4.043095\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mg"
],
"chemical_system": "Ba-Ca-Mg",
"density": 2.649061820429524,
"density_atomic": 0.028233565329878925,
"volume": 141.6753411503043,
"volume_molar": 21.32972116570382,
"formula_full": "Ba1 Ca1 Mg2",
"formula_reduced": "BaCaMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-58230",
"created_at": "2022-09-04T14:37:03.029446Z",
"updated_at": "2022-09-04T14:37:03.029466Z",
"structure_string": "Ba1 Ca1 Mn4 O8\n1.0\n2.745411 -4.755191 0.000000\n2.745411 4.755191 0.000000\n-0.000000 -0.000000 7.599748\nBa Ca Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.755268 Mn\n0.666667 0.333333 0.755268 Mn\n0.333333 0.666667 0.244732 Mn\n0.666667 0.333333 0.244732 Mn\n0.328676 0.328676 0.699368 O\n0.671324 -0.000000 0.699368 O\n-0.000000 0.671324 0.699368 O\n0.671324 0.671324 0.300632 O\n-0.000000 0.328676 0.300632 O\n0.328676 -0.000000 0.300632 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ba-Ca-Mn-O",
"density": 4.39470687275044,
"density_atomic": 0.07055430416997041,
"volume": 198.4287162165612,
"volume_molar": 8.535468999158761,
"formula_full": "Ba1 Ca1 Mn4 O8",
"formula_reduced": "BaCaMn4O8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.988742382536945,
"spacegroup": 162
},
{
"id": "jvasp-9369",
"created_at": "2022-09-04T14:37:27.388734Z",
"updated_at": "2022-09-04T14:37:27.388743Z",
"structure_string": "Ba1 Ca1 Ni4 O8\n1.0\n2.656795 -4.601705 0.000000\n2.656795 4.601705 0.000000\n0.000000 -0.000000 7.655631\nBa Ca Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666668 0.760793 Ni\n0.666668 0.333334 0.760793 Ni\n0.333334 0.666668 0.239207 Ni\n0.666668 0.333334 0.239207 Ni\n0.334621 0.334621 0.701852 O\n0.665380 0.000001 0.701852 O\n0.000001 0.665380 0.701852 O\n0.665381 0.665381 0.298148 O\n0.000000 0.334620 0.298148 O\n0.334620 0.000000 0.298148 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ni",
"O"
],
"chemical_system": "Ba-Ca-Ni-O",
"density": 4.791757220500489,
"density_atomic": 0.0747894308672534,
"volume": 187.1922253941086,
"volume_molar": 8.052128075006918,
"formula_full": "Ba1 Ca1 Ni4 O8",
"formula_reduced": "BaCa(NiO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 1.904415285,
"spacegroup": 162
},
{
"id": "jvasp-35745",
"created_at": "2022-09-04T14:37:27.840575Z",
"updated_at": "2022-09-04T14:37:27.840594Z",
"structure_string": "Ba1 Ca1 O2\n1.0\n3.739837 0.000000 -0.000000\n0.000000 3.739837 -0.000000\n0.000000 0.000000 5.268300\nBa Ca O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"O"
],
"chemical_system": "Ba-Ca-O",
"density": 4.719085113295941,
"density_atomic": 0.054285537932950025,
"volume": 73.68444989788146,
"volume_molar": 11.093453227705245,
"formula_full": "Ba1 Ca1 O2",
"formula_reduced": "BaCaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3358183475,
"spacegroup": 123
},
{
"id": "jvasp-66259",
"created_at": "2022-09-04T14:36:00.773190Z",
"updated_at": "2022-09-04T14:36:00.773219Z",
"structure_string": "Ba1 Ca1 Pb1\n1.0\n0.000000 3.956086 3.956086\n3.956086 -0.000000 3.956086\n3.956086 3.956086 0.000000\nBa Ca Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Pb"
],
"chemical_system": "Ba-Ca-Pb",
"density": 5.157471724965674,
"density_atomic": 0.02422669026991066,
"volume": 123.83036917452873,
"volume_molar": 24.857463784392568,
"formula_full": "Ba1 Ca1 Pb1",
"formula_reduced": "BaCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65548",
"created_at": "2022-09-04T14:36:05.622724Z",
"updated_at": "2022-09-04T14:36:05.622741Z",
"structure_string": "Ba1 Ca1 Pb2\n1.0\n4.153150 0.000000 -0.000000\n-0.000000 4.153150 0.000000\n-0.000000 -0.000000 7.922479\nBa Ca Pb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.711949 Pb\n0.000000 0.000000 0.288051 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Pb"
],
"chemical_system": "Ba-Ca-Pb",
"density": 7.191366076861345,
"density_atomic": 0.02927141121586612,
"volume": 136.6521064017529,
"volume_molar": 20.573455497546323,
"formula_full": "Ba1 Ca1 Pb2",
"formula_reduced": "BaCaPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-51253",
"created_at": "2022-09-04T14:36:33.370737Z",
"updated_at": "2022-09-04T14:36:33.370765Z",
"structure_string": "Ba1 Ca1 Ru2\n1.0\n0.000000 3.521952 3.521952\n3.521952 -0.000000 3.521952\n3.521952 3.521952 0.000000\nBa Ca Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ru"
],
"chemical_system": "Ba-Ca-Ru",
"density": 7.213268164736563,
"density_atomic": 0.04578041206463756,
"volume": 87.37361285329592,
"volume_molar": 13.154404882807333,
"formula_full": "Ba1 Ca1 Ru2",
"formula_reduced": "BaCaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2650743475,
"spacegroup": 216
},
{
"id": "jvasp-66538",
"created_at": "2022-09-04T14:36:02.233097Z",
"updated_at": "2022-09-04T14:36:02.233119Z",
"structure_string": "Ba1 Ca1 Sb1\n1.0\n-0.000000 3.973533 3.973533\n3.973533 -0.000000 3.973533\n3.973533 3.973533 0.000000\nBa Ca Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sb"
],
"chemical_system": "Ba-Ca-Sb",
"density": 3.959126810301152,
"density_atomic": 0.023908965567392026,
"volume": 125.47594296975844,
"volume_molar": 25.18779301858726,
"formula_full": "Ba1 Ca1 Sb1",
"formula_reduced": "BaCaSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1811474966666667,
"spacegroup": 216
},
{
"id": "jvasp-9299",
"created_at": "2022-09-04T14:37:51.675758Z",
"updated_at": "2022-09-04T14:37:51.675774Z",
"structure_string": "Ba1 Ca1 Sb4 O8\n1.0\n3.114223 -5.393991 -0.000000\n3.114223 5.393991 0.000000\n-0.000000 -0.000000 7.328267\nBa Ca Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.725711 Sb\n0.666667 0.333333 0.725711 Sb\n0.333333 0.666667 0.274289 Sb\n0.666667 0.333333 0.274289 Sb\n0.297140 0.297140 0.717991 O\n0.702859 -0.000000 0.717991 O\n-0.000000 0.702859 0.717991 O\n0.702859 0.702859 0.282010 O\n-0.000000 0.297141 0.282010 O\n0.297141 -0.000000 0.282010 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Sb",
"O"
],
"chemical_system": "Ba-Ca-O-Sb",
"density": 5.344713021861515,
"density_atomic": 0.05686392463533426,
"volume": 246.20178944350673,
"volume_molar": 10.590441652804854,
"formula_full": "Ba1 Ca1 Sb4 O8",
"formula_reduced": "BaCa(SbO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.084276342142857,
"spacegroup": 162
},
{
"id": "jvasp-64109",
"created_at": "2022-09-04T14:36:01.349517Z",
"updated_at": "2022-09-04T14:36:01.349546Z",
"structure_string": "Ba1 Ca1 Sc1\n1.0\n-0.000000 3.978201 3.978201\n3.978201 0.000000 3.978201\n3.978201 3.978201 -0.000000\nBa Ca Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sc\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sc"
],
"chemical_system": "Ba-Ca-Sc",
"density": 2.932360641586308,
"density_atomic": 0.023824900325313373,
"volume": 125.91867999601129,
"volume_molar": 25.276667174979206,
"formula_full": "Ba1 Ca1 Sc1",
"formula_reduced": "BaCaSc",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8593438799999998,
"spacegroup": 216
},
{
"id": "jvasp-66051",
"created_at": "2022-09-04T14:35:40.770361Z",
"updated_at": "2022-09-04T14:35:40.770371Z",
"structure_string": "Ba1 Ca1 Se1\n1.0\n0.000000 3.991685 3.991685\n3.991685 0.000000 3.991685\n3.991685 3.991685 0.000000\nBa Ca Se\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Se"
],
"chemical_system": "Ba-Ca-Se",
"density": 3.346640395839391,
"density_atomic": 0.023584271890248323,
"volume": 127.20341819161467,
"volume_molar": 25.53456298343494,
"formula_full": "Ba1 Ca1 Se1",
"formula_reduced": "BaCaSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0786065855555555,
"spacegroup": 216
},
{
"id": "jvasp-11431",
"created_at": "2022-09-04T14:37:11.452497Z",
"updated_at": "2022-09-04T14:37:11.452507Z",
"structure_string": "Ba4 Ca4 Si4\n1.0\n5.056972 -0.000000 0.000000\n0.000000 8.550379 0.000000\n0.000000 0.000000 9.097116\nBa Ca Si\n4 4 4\ndirect\n0.250000 0.027106 0.175717 Ba\n0.750000 0.972894 0.824283 Ba\n0.250000 0.527106 0.324283 Ba\n0.750000 0.472894 0.675717 Ba\n0.750000 0.358266 0.075451 Ca\n0.250000 0.641734 0.924550 Ca\n0.750000 0.858266 0.424550 Ca\n0.250000 0.141734 0.575451 Ca\n0.250000 0.782886 0.608219 Si\n0.750000 0.217114 0.391782 Si\n0.250000 0.282886 0.891782 Si\n0.750000 0.717114 0.108219 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Si"
],
"chemical_system": "Ba-Ca-Si",
"density": 3.4699338104385595,
"density_atomic": 0.030507147301065775,
"volume": 393.35044609630796,
"volume_molar": 19.740097953339664,
"formula_full": "Ba4 Ca4 Si4",
"formula_reduced": "BaCaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5555249966666664,
"spacegroup": 62
}
]
}