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=-energy_above_hull&page=3638",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3636",
"results": [
{
"id": "jvasp-12018",
"created_at": "2022-09-04T14:37:11.388883Z",
"updated_at": "2022-09-04T14:37:11.388904Z",
"structure_string": "Sr2 Sb2 Se4 F2\n1.0\n4.121697 0.000000 -0.000000\n-0.000000 4.121697 -0.000000\n-0.000000 0.000000 14.413476\nSr Sb Se F\n2 2 4 2\ndirect\n0.250000 0.250000 0.599433 Sr\n0.750001 0.750001 0.400567 Sr\n0.250000 0.250000 0.131813 Sb\n0.750001 0.750001 0.868188 Sb\n0.750001 0.750001 0.690537 Se\n0.750001 0.750001 0.108126 Se\n0.250000 0.250000 0.891875 Se\n0.250000 0.250000 0.309463 Se\n0.750001 0.250000 0.500000 F\n0.250000 0.750001 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sb",
"Se",
"F"
],
"chemical_system": "F-Sb-Se-Sr",
"density": 5.239395134899597,
"density_atomic": 0.040839380578791364,
"volume": 244.86169619313918,
"volume_molar": 14.745916012074405,
"formula_full": "Sr2 Sb2 Se4 F2",
"formula_reduced": "SrSbSe2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4190298851666667,
"spacegroup": 129
},
{
"id": "jvasp-78576",
"created_at": "2022-09-04T14:36:31.412787Z",
"updated_at": "2022-09-04T14:36:31.412816Z",
"structure_string": "H1\n1.0\n-0.000000 -0.000000 -0.993673\n-1.887152 -1.887152 -0.000000\n-1.887152 1.887152 0.000000\nH\n1\ndirect\n0.499999 -0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.23648115048442833,
"density_atomic": 0.14129043155308013,
"volume": 7.07762011204785,
"volume_molar": 4.262242456055912,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 0.4190200000000001,
"spacegroup": 123
},
{
"id": "jvasp-36128",
"created_at": "2022-09-04T14:37:37.159554Z",
"updated_at": "2022-09-04T14:37:37.159579Z",
"structure_string": "In1 Ag1 Se2\n1.0\n-2.002020 -3.467599 -0.000000\n-4.004039 -0.000000 0.000000\n-2.002020 -1.155866 -6.585049\nIn Ag Se\n1 1 2\ndirect\n0.500001 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.750937 0.750936 0.747193 Se\n0.249064 0.249064 0.252807 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se",
"density": 6.91255782262475,
"density_atomic": 0.04374957237572194,
"volume": 91.42946508477715,
"volume_molar": 13.765027708800833,
"formula_full": "In1 Ag1 Se2",
"formula_reduced": "InAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4188734908333332,
"spacegroup": 166
},
{
"id": "jvasp-35783",
"created_at": "2022-09-04T14:37:20.157455Z",
"updated_at": "2022-09-04T14:37:20.157481Z",
"structure_string": "Sc1 Cu2\n1.0\n3.313647 -0.000000 0.000000\n-0.000000 3.313647 0.000000\n-1.656824 -1.656824 4.148924\nSc Cu\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.672063 0.672063 0.344123 Cu\n0.327939 0.327939 0.655876 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 6.271198408789268,
"density_atomic": 0.06585265544751534,
"volume": 45.55624947259726,
"volume_molar": 9.144871560721883,
"formula_full": "Sc1 Cu2",
"formula_reduced": "ScCu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4188653833333334,
"spacegroup": 139
},
{
"id": "jvasp-48750",
"created_at": "2022-09-04T14:35:50.857550Z",
"updated_at": "2022-09-04T14:35:50.857581Z",
"structure_string": "Li2 V2 F6\n1.0\n5.189718 0.000299 -0.000202\n2.594457 4.494406 0.000125\n2.594484 1.497885 4.706417\nLi V F\n2 2 6\ndirect\n0.202276 0.202275 0.393192 Li\n0.702269 0.702279 0.893193 Li\n0.493773 0.493767 0.518683 V\n0.993766 0.993776 0.018684 V\n0.403128 0.079647 0.741176 F\n0.276041 0.579661 0.241175 F\n0.903131 0.276044 0.241175 F\n0.776047 0.403125 0.741173 F\n0.079655 0.776037 0.741178 F\n0.579645 0.903129 0.241177 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4755254323123936,
"density_atomic": 0.09109732187582752,
"volume": 109.77271114106681,
"volume_molar": 6.6106671809832465,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4188570095,
"spacegroup": 161
},
{
"id": "jvasp-71814",
"created_at": "2022-09-04T14:35:42.519312Z",
"updated_at": "2022-09-04T14:35:42.519341Z",
"structure_string": "Li1 Be1 Cu2\n1.0\n-1.716564 1.716564 3.723509\n1.716564 -1.716564 3.723509\n1.716564 1.716564 -3.723509\nLi Be Cu\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Li\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cu\n0.250000 0.749999 0.499999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Li",
"density": 5.412400586726849,
"density_atomic": 0.09114389660195488,
"volume": 43.8866468203446,
"volume_molar": 6.607289115913041,
"formula_full": "Li1 Be1 Cu2",
"formula_reduced": "LiBeCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4188492499999999,
"spacegroup": 119
},
{
"id": "jvasp-46859",
"created_at": "2022-09-04T14:38:04.170474Z",
"updated_at": "2022-09-04T14:38:04.170498Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.921054 -0.000000 0.000000\n-0.000000 5.341697 0.000000\n0.000000 0.000000 8.812052\nLi Mn F\n4 4 12\ndirect\n0.000000 0.250000 0.200353 Li\n0.000000 0.750000 0.799647 Li\n0.500000 0.750000 0.700353 Li\n0.500000 0.250000 0.299647 Li\n0.000000 0.750000 0.403010 Mn\n0.000000 0.250000 0.596989 Mn\n0.500000 0.750000 0.096989 Mn\n0.500000 0.250000 0.903010 Mn\n0.250000 0.046568 0.750000 F\n0.250000 0.546568 0.250000 F\n0.278934 0.588081 0.908787 F\n0.278934 0.088081 0.091213 F\n0.721065 0.911920 0.908787 F\n0.778933 0.411920 0.408787 F\n0.749999 0.953433 0.250000 F\n0.749999 0.453432 0.750000 F\n0.221066 0.088081 0.408787 F\n0.778933 0.911920 0.591213 F\n0.721065 0.411920 0.091213 F\n0.221066 0.588081 0.591213 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4086504215876525,
"density_atomic": 0.08634069974445084,
"volume": 231.64046688520625,
"volume_molar": 6.9748574864741535,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.418811617775862,
"spacegroup": 52
},
{
"id": "jvasp-40658",
"created_at": "2022-09-04T14:38:00.462394Z",
"updated_at": "2022-09-04T14:38:00.462419Z",
"structure_string": "Li8 V2 F12\n1.0\n0.000000 5.154006 0.676586\n8.865174 0.000000 0.000000\n0.000000 -2.467329 -5.430313\nLi V F\n8 2 12\ndirect\n0.244076 0.834191 0.895486 Li\n0.744076 0.665808 0.895486 Li\n0.069998 0.159912 0.593946 Li\n0.569998 0.340088 0.593946 Li\n0.430002 0.659912 0.406053 Li\n0.930002 0.840087 0.406053 Li\n0.255924 0.334191 0.104513 Li\n0.755924 0.165809 0.104513 Li\n0.500000 0.000000 0.499999 V\n-0.000000 0.500000 0.500000 V\n0.547159 0.176506 0.287974 F\n0.002361 0.668703 0.253217 F\n0.029058 0.013723 0.290249 F\n0.047159 0.323493 0.287975 F\n0.952841 0.676506 0.712024 F\n0.497639 0.168703 0.746782 F\n-0.002361 0.331297 0.746782 F\n0.452841 0.823493 0.712024 F\n0.470942 0.513723 0.709750 F\n0.529059 0.486277 0.290249 F\n0.970942 0.986276 0.709750 F\n0.502361 0.831297 0.253217 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.7428567216096167,
"density_atomic": 0.09429185771012849,
"volume": 233.318130899831,
"volume_molar": 6.386702846085854,
"formula_full": "Li8 V2 F12",
"formula_reduced": "Li4VF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4186914450000001,
"spacegroup": 14
},
{
"id": "jvasp-69747",
"created_at": "2022-09-04T14:36:13.137239Z",
"updated_at": "2022-09-04T14:36:13.137265Z",
"structure_string": "Be1 Zn2 Pd2\n1.0\n-1.657506 1.657506 6.747472\n1.657506 -1.657506 6.747472\n1.657506 1.657506 -6.747472\nBe Zn Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.750001 0.250000 0.500001 Zn\n0.250000 0.750001 0.500001 Zn\n0.595512 0.595512 0.000000 Pd\n0.404488 0.404488 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Pd"
],
"chemical_system": "Be-Pd-Zn",
"density": 7.897807401482173,
"density_atomic": 0.0674308607745179,
"volume": 74.15002481904395,
"volume_molar": 8.930837736355524,
"formula_full": "Be1 Zn2 Pd2",
"formula_reduced": "Be(ZnPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4186676599999999,
"spacegroup": 139
},
{
"id": "jvasp-44051",
"created_at": "2022-09-04T14:36:42.119686Z",
"updated_at": "2022-09-04T14:36:42.119719Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.092196 2.842701 -0.144208\n-5.092196 2.842701 0.144208\n-0.205903 0.000000 5.343688\nLi Mn F\n4 2 8\ndirect\n0.350695 0.944113 0.783695 Li\n0.055886 0.649305 0.283695 Li\n0.944114 0.350695 0.716306 Li\n0.649305 0.055886 0.216306 Li\n0.663671 0.663671 0.750000 Mn\n0.336329 0.336329 0.250000 Mn\n0.721225 0.019160 0.884923 F\n0.980840 0.278775 0.384923 F\n0.268261 0.500984 0.909525 F\n0.499016 0.731739 0.409525 F\n0.500984 0.268260 0.590476 F\n0.731739 0.499015 0.090476 F\n0.019160 0.721225 0.615078 F\n0.278775 0.980839 0.115077 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.112113277343641,
"density_atomic": 0.0905930362915915,
"volume": 154.53726437579869,
"volume_molar": 6.647465419545666,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.418666910197044,
"spacegroup": 15
},
{
"id": "jvasp-69055",
"created_at": "2022-09-04T14:36:08.661394Z",
"updated_at": "2022-09-04T14:36:08.661413Z",
"structure_string": "K1 Ba2 Si1\n1.0\n0.000000 4.195120 4.195120\n4.195120 0.000000 4.195120\n4.195120 4.195120 -0.000000\nK Ba Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Si"
],
"chemical_system": "Ba-K-Si",
"density": 3.844200421687129,
"density_atomic": 0.02708924063640885,
"volume": 147.66010069045146,
"volume_molar": 22.230747774841795,
"formula_full": "K1 Ba2 Si1",
"formula_reduced": "KBa2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4186421349999999,
"spacegroup": 225
},
{
"id": "jvasp-65304",
"created_at": "2022-09-04T14:35:53.667118Z",
"updated_at": "2022-09-04T14:35:53.667132Z",
"structure_string": "Be1 Pb1 Br4\n1.0\n0.000000 4.491536 4.491536\n4.491536 0.000000 4.491536\n4.491536 4.491536 -0.000000\nBe Pb Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n0.124594 0.625136 0.625136 Br\n0.625136 0.625136 0.625136 Br\n0.625136 0.124594 0.625136 Br\n0.625136 0.625136 0.124594 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Pb",
"Br"
],
"chemical_system": "Be-Br-Pb",
"density": 4.909757007800051,
"density_atomic": 0.033108278513711474,
"volume": 181.22355704828198,
"volume_molar": 18.189229492877402,
"formula_full": "Be1 Pb1 Br4",
"formula_reduced": "BePbBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.41847889,
"spacegroup": 216
}
]
}