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=-density&page=3815",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3813",
"results": [
{
"id": "jvasp-92252",
"created_at": "2022-09-04T14:35:59.678227Z",
"updated_at": "2022-09-04T14:35:59.678256Z",
"structure_string": "Li3 Mn1 O2 F2\n1.0\n-0.000003 1.988879 1.988880\n-4.397091 0.029130 -4.006885\n-4.397091 -4.006883 0.029130\nLi Mn O F\n3 1 2 2\ndirect\n0.000132 0.500598 0.000537 Li\n0.000149 0.500564 0.500564 Li\n0.000131 0.000537 0.500598 Li\n0.000274 0.000639 0.000644 Mn\n0.500338 0.772490 0.228847 O\n0.500337 0.228848 0.772489 O\n0.525904 0.263463 0.263463 F\n0.474674 0.737846 0.737846 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.428629825543681,
"density_atomic": 0.11332692529457322,
"volume": 70.59222668580675,
"volume_molar": 5.313954070796956,
"formula_full": "Li3 Mn1 O2 F2",
"formula_reduced": "Li3Mn(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.2606481007974135,
"spacegroup": 65
},
{
"id": "jvasp-21127",
"created_at": "2022-09-04T14:37:41.914960Z",
"updated_at": "2022-09-04T14:37:41.914978Z",
"structure_string": "K1 Rb2 Ti1 F6\n1.0\n5.489777 0.000000 3.169524\n1.829926 5.175812 3.169524\n-0.000000 0.000000 6.339049\nK Rb Ti F\n1 2 1 6\ndirect\n0.500001 0.500000 0.499999 K\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ti\n0.221292 0.778708 0.778708 F\n0.221292 0.778708 0.221290 F\n0.778709 0.221291 0.778708 F\n0.221292 0.221291 0.778708 F\n0.778709 0.221291 0.221290 F\n0.778710 0.778708 0.221290 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ti",
"F"
],
"chemical_system": "F-K-Rb-Ti",
"density": 3.4285290466623857,
"density_atomic": 0.055519135456831833,
"volume": 180.11807852763425,
"volume_molar": 10.846964223141471,
"formula_full": "K1 Rb2 Ti1 F6",
"formula_reduced": "KRb2TiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64150",
"created_at": "2022-09-04T14:36:03.838298Z",
"updated_at": "2022-09-04T14:36:03.838329Z",
"structure_string": "Ba4 Li1 Be1\n1.0\n-0.000000 5.153770 5.153770\n5.153770 0.000000 5.153770\n5.153770 5.153770 0.000000\nBa Li Be\n4 1 1\ndirect\n0.128128 0.623957 0.623957 Ba\n0.623957 0.623957 0.623957 Ba\n0.623957 0.128128 0.623957 Ba\n0.623957 0.623957 0.128128 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Be"
],
"chemical_system": "Ba-Be-Li",
"density": 3.428413248125377,
"density_atomic": 0.021915236172146815,
"volume": 273.78212823577525,
"volume_molar": 27.479241896803483,
"formula_full": "Ba4 Li1 Be1",
"formula_reduced": "Ba4LiBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4159899966666666,
"spacegroup": 216
},
{
"id": "jvasp-44070",
"created_at": "2022-09-04T14:35:55.482989Z",
"updated_at": "2022-09-04T14:35:55.483016Z",
"structure_string": "Li6 Fe2 O4 F4\n1.0\n0.000000 5.019422 -0.022441\n5.901292 0.000000 0.000000\n0.000000 -1.593802 -4.789475\nLi Fe O F\n6 2 4 4\ndirect\n0.500000 0.123997 0.749999 Li\n0.500000 0.634651 0.749999 Li\n0.000000 0.379613 0.749999 Li\n0.500000 0.365349 0.250000 Li\n0.500000 0.876002 0.250000 Li\n0.000000 0.620386 0.250000 Li\n0.000000 0.906509 0.749999 Fe\n0.000000 0.093490 0.250000 Fe\n0.763248 0.874794 0.992159 O\n0.236752 0.874794 0.507839 O\n0.763248 0.125205 0.492160 O\n0.236752 0.125205 0.007840 O\n0.251239 0.619073 0.998439 F\n0.251239 0.380926 0.498440 F\n0.748760 0.619073 0.501559 F\n0.748760 0.380926 0.001560 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.4282073309861394,
"density_atomic": 0.11261224302634883,
"volume": 142.08046629757962,
"volume_molar": 5.347678545565377,
"formula_full": "Li6 Fe2 O4 F4",
"formula_reduced": "Li3Fe(OF)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.167766633125,
"spacegroup": 13
},
{
"id": "jvasp-43375",
"created_at": "2022-09-04T14:37:29.167209Z",
"updated_at": "2022-09-04T14:37:29.167230Z",
"structure_string": "Li4 Fe4 F12\n1.0\n2.882828 0.000000 0.000000\n-0.000000 5.102972 0.000000\n0.000000 0.000000 15.776995\nLi Fe F\n4 4 12\ndirect\n0.750001 0.024985 0.303242 Li\n0.250000 0.475015 0.803242 Li\n0.750001 0.524985 0.196758 Li\n0.250000 0.975015 0.696757 Li\n0.750001 0.968054 0.088564 Fe\n0.250000 0.531945 0.588564 Fe\n0.750001 0.468054 0.411436 Fe\n0.250000 0.031946 0.911436 Fe\n0.250000 0.201775 0.359843 F\n0.750001 0.298225 0.859843 F\n0.750001 0.292546 0.529224 F\n0.250000 0.330928 0.695771 F\n0.750001 0.669072 0.304228 F\n0.750001 0.792546 0.970775 F\n0.250000 0.701775 0.140156 F\n0.750001 0.798225 0.640156 F\n0.250000 0.207454 0.029225 F\n0.250000 0.830927 0.804228 F\n0.250000 0.707454 0.470775 F\n0.750001 0.169072 0.195771 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.4279271077647637,
"density_atomic": 0.08617152737917014,
"volume": 232.09522458614921,
"volume_molar": 6.988550560908017,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3050852695,
"spacegroup": 62
},
{
"id": "jvasp-22667",
"created_at": "2022-09-04T14:37:09.132627Z",
"updated_at": "2022-09-04T14:37:09.132645Z",
"structure_string": "Ca2 Br4\n1.0\n4.305822 0.000000 0.000000\n0.000000 6.505609 -0.000000\n0.000000 -0.000000 6.913668\nCa Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.245147 0.844166 Br\n0.000000 0.745147 0.655834 Br\n0.000000 0.254853 0.344166 Br\n0.500000 0.754853 0.155834 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Br"
],
"chemical_system": "Br-Ca",
"density": 3.427748264812632,
"density_atomic": 0.030981233124402395,
"volume": 193.6656289924785,
"volume_molar": 19.438027969444043,
"formula_full": "Ca2 Br4",
"formula_reduced": "CaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0095399999999999,
"spacegroup": 58
},
{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.4276034592347093,
"density_atomic": 0.032957469786179486,
"volume": 121.36854030212525,
"volume_molar": 18.27246083837828,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9300812245833334,
"spacegroup": 8
},
{
"id": "jvasp-3516",
"created_at": "2022-09-04T14:36:34.117079Z",
"updated_at": "2022-09-04T14:36:34.117097Z",
"structure_string": "Ca2 Br4\n1.0\n4.305629 0.000000 0.000000\n0.000000 6.505502 -0.000000\n0.000000 0.000000 6.914732\nCa Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.254942 0.344074 Br\n0.000000 0.745058 0.655925 Br\n0.500000 0.754942 0.155926 Br\n0.500000 0.245058 0.844074 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Br"
],
"chemical_system": "Br-Ca",
"density": 3.427430819678981,
"density_atomic": 0.030978363940048687,
"volume": 193.6835661047686,
"volume_molar": 19.43982829969469,
"formula_full": "Ca2 Br4",
"formula_reduced": "CaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0095433333333333,
"spacegroup": 58
},
{
"id": "jvasp-120023",
"created_at": "2022-09-04T14:38:52.629927Z",
"updated_at": "2022-09-04T14:38:52.629955Z",
"structure_string": "H1 Br1 O2\n1.0\n3.617714 0.000000 0.000000\n0.000000 3.617714 0.000000\n0.000000 -0.000000 4.179793\nH Br O\n1 1 2\ndirect\n0.499999 0.499999 0.690884 H\n0.000000 0.000000 0.993135 Br\n0.000000 0.000000 0.398114 O\n0.499999 0.499999 0.927866 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 3.4273709848071023,
"density_atomic": 0.0731200965094409,
"volume": 54.704522982728015,
"volume_molar": 8.235958440266078,
"formula_full": "H1 Br1 O2",
"formula_reduced": "HBrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.83809777625,
"spacegroup": 99
},
{
"id": "jvasp-56667",
"created_at": "2022-09-04T14:38:18.916356Z",
"updated_at": "2022-09-04T14:38:18.916369Z",
"structure_string": "K2 Cr2 F6\n1.0\n5.127534 0.086355 -2.865256\n-1.683716 4.844688 -2.863555\n-0.078845 -0.114655 5.875612\nK Cr F\n2 2 6\ndirect\n0.750044 0.750044 0.500087 K\n0.249955 0.249955 0.499909 K\n-0.000000 0.500000 -0.000000 Cr\n0.499999 -0.000000 -0.000001 Cr\n0.250001 0.750001 0.500003 F\n0.739756 0.260201 -0.000002 F\n0.260242 0.739799 -0.000001 F\n0.239770 0.239803 -0.000001 F\n0.749998 0.249998 0.499994 F\n0.760228 0.760196 -0.000002 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Cr",
"F"
],
"chemical_system": "Cr-F-K",
"density": 3.4272835344958485,
"density_atomic": 0.0696861310258222,
"volume": 143.50057684067005,
"volume_molar": 8.641806728757112,
"formula_full": "K2 Cr2 F6",
"formula_reduced": "KCrF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3043617098333333,
"spacegroup": 140
},
{
"id": "jvasp-56631",
"created_at": "2022-09-04T14:38:33.388023Z",
"updated_at": "2022-09-04T14:38:33.388039Z",
"structure_string": "K6 Mo4 Br2 O14\n1.0\n2.989044 -5.177177 0.000000\n2.989044 5.177177 -0.000000\n0.000000 0.000000 15.688623\nK Mo Br O\n6 4 2 14\ndirect\n0.666666 0.333332 0.458012 K\n0.333332 0.666666 0.541988 K\n0.333332 0.666666 0.958012 K\n0.666666 0.333332 0.750000 K\n0.666666 0.333332 0.041988 K\n0.333332 0.666666 0.250000 K\n0.000000 0.000000 0.870208 Mo\n0.000000 0.000000 0.629791 Mo\n0.000000 0.000000 0.370208 Mo\n0.000000 0.000000 0.129791 Mo\n0.666666 0.333332 0.250000 Br\n0.333332 0.666666 0.750000 Br\n0.316633 0.158317 0.908914 O\n0.841682 0.683366 0.591086 O\n0.158317 0.316633 0.091086 O\n0.000000 0.000000 0.750000 O\n0.683366 0.841682 0.091086 O\n0.683366 0.841682 0.408914 O\n0.841682 0.158316 0.591086 O\n0.158316 0.841682 0.091086 O\n0.158317 0.316633 0.408914 O\n0.841682 0.683366 0.908914 O\n0.158316 0.841682 0.408914 O\n0.000000 0.000000 0.250000 O\n0.316633 0.158317 0.591086 O\n0.841682 0.158316 0.908914 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"Mo",
"Br",
"O"
],
"chemical_system": "Br-K-Mo-O",
"density": 3.4272155876941737,
"density_atomic": 0.05354676078920122,
"volume": 485.5569154286439,
"volume_molar": 11.246508045010419,
"formula_full": "K6 Mo4 Br2 O14",
"formula_reduced": "K3Mo2BrO7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.285887261923077,
"spacegroup": 194
},
{
"id": "jvasp-10214",
"created_at": "2022-09-04T14:37:27.415475Z",
"updated_at": "2022-09-04T14:37:27.415492Z",
"structure_string": "K4 Zn2 O4\n1.0\n4.964505 -0.000000 -2.223798\n-1.213742 5.214590 -2.709610\n-0.023366 -0.027839 6.601224\nK Zn O\n4 2 4\ndirect\n0.347385 0.213554 0.694771 K\n0.652614 0.786445 0.305228 K\n0.847385 0.481217 0.694770 K\n0.152614 0.518783 0.305228 K\n0.749999 -0.000000 -0.000000 Zn\n0.250000 -0.000000 -0.000000 Zn\n0.403794 0.715559 0.807587 O\n0.596205 0.284441 0.192412 O\n0.096206 0.907970 0.192412 O\n0.903793 0.092030 0.807586 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Zn",
"O"
],
"chemical_system": "K-O-Zn",
"density": 3.427117713516615,
"density_atomic": 0.058764430956794546,
"volume": 170.17096630021507,
"volume_molar": 10.247935123251116,
"formula_full": "K4 Zn2 O4",
"formula_reduced": "K2ZnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 72
}
]
}