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=4172",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4170",
"results": [
{
"id": "jvasp-38237",
"created_at": "2022-09-04T14:37:48.271533Z",
"updated_at": "2022-09-04T14:37:48.271557Z",
"structure_string": "Rb3 Ho1\n1.0\n0.000000 5.005178 5.005178\n5.005178 0.000000 5.005178\n5.005178 5.005178 0.000000\nRb Ho\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250001 0.250001 0.250001 Rb\n0.750000 0.750000 0.750000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ho"
],
"chemical_system": "Ho-Rb",
"density": 2.789887805819094,
"density_atomic": 0.015950393979438655,
"volume": 250.7775046281818,
"volume_molar": 37.75543580781155,
"formula_full": "Rb3 Ho1",
"formula_reduced": "Rb3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96882",
"created_at": "2022-09-04T14:36:14.530444Z",
"updated_at": "2022-09-04T14:36:14.530478Z",
"structure_string": "Na4 Cr4 O14\n1.0\n6.730200 0.217728 -2.562868\n-1.798975 4.857958 4.739901\n1.914179 -4.823912 4.666438\nNa Cr O\n4 4 14\ndirect\n0.681788 0.941038 0.624778 Na\n0.318213 0.058963 0.375222 Na\n0.247673 0.358785 0.835777 Na\n0.752328 0.641216 0.164223 Na\n0.201425 0.822173 0.864379 Cr\n0.798576 0.177828 0.135620 Cr\n0.758997 0.499323 0.658642 Cr\n0.241004 0.500677 0.341358 Cr\n0.224555 0.335257 0.498187 O\n0.775446 0.664744 0.501813 O\n0.372558 0.467413 0.163214 O\n0.627444 0.532588 0.836786 O\n0.353460 0.749904 0.439313 O\n0.646541 0.250097 0.560687 O\n0.220387 0.010541 0.734437 O\n0.123330 0.857965 0.079271 O\n0.779614 0.989460 0.265562 O\n0.012874 0.564855 0.749784 O\n0.583217 0.198519 0.125866 O\n0.416784 0.801482 0.874134 O\n0.876672 0.142035 0.920728 O\n-0.012873 0.435146 0.250217 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Cr",
"O"
],
"chemical_system": "Cr-Na-O",
"density": 2.7898590121616382,
"density_atomic": 0.07054696985338495,
"volume": 311.84897162446174,
"volume_molar": 8.536356377198883,
"formula_full": "Na4 Cr4 O14",
"formula_reduced": "Na2Cr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.572030663636364,
"spacegroup": 2
},
{
"id": "jvasp-112029",
"created_at": "2022-09-04T14:38:42.970262Z",
"updated_at": "2022-09-04T14:38:42.970287Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.462663 -0.075018 -0.045871\n-1.221714 4.313145 -0.197644\n0.104626 -0.036652 7.278432\nZn H C O\n1 4 4 4\ndirect\n0.359657 0.851040 0.271778 Zn\n0.574878 0.046915 0.678443 H\n0.061855 0.089304 0.754097 H\n0.657626 0.612714 0.789429 H\n0.144582 0.655072 0.865098 H\n0.029154 0.328950 0.515275 C\n0.868365 0.221471 0.701630 C\n0.851082 0.480528 0.841904 C\n0.690255 0.373068 0.028258 C\n0.958842 0.123867 0.379346 O\n0.234642 0.612132 0.502852 O\n0.760556 0.578163 0.164181 O\n0.484730 0.089891 0.040682 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.7895329386655416,
"density_atomic": 0.12033562063542798,
"volume": 108.03118753494569,
"volume_molar": 5.004453983118464,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957011876923077,
"spacegroup": 2
},
{
"id": "jvasp-23953",
"created_at": "2022-09-04T14:37:36.333329Z",
"updated_at": "2022-09-04T14:37:36.333339Z",
"structure_string": "Na8 Ga6 Si6 Cl2 O24\n1.0\n9.002544 0.000000 0.000000\n-0.000000 9.002544 -0.000000\n-0.000000 0.000000 9.002544\nNa Ga Si Cl O\n8 6 6 2 24\ndirect\n0.671511 0.328489 0.328489 Na\n0.328489 0.328489 0.671511 Na\n0.328489 0.671511 0.328489 Na\n0.171511 0.171511 0.171511 Na\n0.671511 0.671511 0.671511 Na\n0.828489 0.171511 0.828489 Na\n0.828489 0.828489 0.171511 Na\n0.171511 0.828489 0.828489 Na\n0.250000 0.000000 0.500000 Ga\n0.000000 0.500000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.500000 0.250000 0.000000 Ga\n0.500000 0.750000 0.000000 Ga\n0.750000 0.000000 0.500000 Ga\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.750000 0.500000 0.000000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.849543 0.576259 0.133021 O\n0.150456 0.423740 0.133021 O\n0.576259 0.866979 0.150456 O\n0.349543 0.633021 0.076259 O\n0.650456 0.366979 0.076259 O\n0.923740 0.349543 0.366979 O\n0.076259 0.349543 0.633021 O\n0.366979 0.076259 0.650456 O\n0.366979 0.923740 0.349543 O\n0.133021 0.150456 0.423740 O\n0.576259 0.133021 0.849543 O\n0.849543 0.423740 0.866979 O\n0.133021 0.849543 0.576259 O\n0.866979 0.150456 0.576259 O\n0.866979 0.849543 0.423740 O\n0.349543 0.366979 0.923740 O\n0.650456 0.633021 0.923740 O\n0.076259 0.650456 0.366979 O\n0.923740 0.650456 0.633021 O\n0.633021 0.076259 0.349543 O\n0.633021 0.923740 0.650456 O\n0.423740 0.866979 0.849543 O\n0.150456 0.576259 0.866979 O\n0.423740 0.133021 0.150456 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Ga",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-Ga-Na-O-Si",
"density": 2.789482361656256,
"density_atomic": 0.06304665849401629,
"volume": 729.6183667587367,
"volume_molar": 9.551879360222646,
"formula_full": "Na8 Ga6 Si6 Cl2 O24",
"formula_reduced": "Na4Ga3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 1.792597601847826,
"spacegroup": 218
},
{
"id": "jvasp-77457",
"created_at": "2022-09-04T14:38:10.200062Z",
"updated_at": "2022-09-04T14:38:10.200091Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-13.935558 2.847807 -10.370923\n-7.975264 1.175267 -2.701055\n-7.613287 4.010226 -4.806801\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.661570 0.823064 0.176939 Ca\n0.338427 0.176938 0.823065 Ca\n0.499999 0.000001 0.000001 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Li",
"density": 2.7894387426874037,
"density_atomic": 0.03446439211852398,
"volume": 116.0618178392322,
"volume_molar": 17.47351509723338,
"formula_full": "Li1 Ca2 Ag1",
"formula_reduced": "LiCa2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-3828",
"created_at": "2022-09-04T14:35:43.103486Z",
"updated_at": "2022-09-04T14:35:43.103514Z",
"structure_string": "K2 Tc1 Cl6\n1.0\n5.969062 -0.000000 3.446239\n1.989688 5.627685 3.446239\n0.000000 0.000000 6.892479\nK Tc Cl\n2 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tc\n0.242680 0.757320 0.757320 Cl\n0.242680 0.757320 0.242680 Cl\n0.757320 0.242680 0.757320 Cl\n0.757320 0.242680 0.242680 Cl\n0.757320 0.757320 0.242680 Cl\n0.242680 0.242680 0.757320 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Tc",
"Cl"
],
"chemical_system": "Cl-K-Tc",
"density": 2.78927941984899,
"density_atomic": 0.038871489941483116,
"volume": 231.53215926501764,
"volume_molar": 15.49243615067416,
"formula_full": "K2 Tc1 Cl6",
"formula_reduced": "K2TcCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3946046561111111,
"spacegroup": 225
},
{
"id": "jvasp-106869",
"created_at": "2022-09-04T14:37:50.950384Z",
"updated_at": "2022-09-04T14:37:50.950410Z",
"structure_string": "Na1 Si6\n1.0\n7.162077 0.000000 0.000000\n-3.581039 6.202541 0.000000\n-0.000000 0.000000 2.566666\nNa Si\n1 6\ndirect\n0.000000 0.000000 0.500001 Na\n0.146128 0.705585 -0.000000 Si\n0.294415 0.440543 -0.000000 Si\n0.559457 0.853871 -0.000000 Si\n0.853872 0.294415 -0.000000 Si\n0.705585 0.559457 -0.000000 Si\n0.440543 0.146128 -0.000000 Si\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Na",
"Si"
],
"chemical_system": "Na-Si",
"density": 2.788984937975111,
"density_atomic": 0.06139316919577837,
"volume": 114.01919939460214,
"volume_molar": 9.809138115668583,
"formula_full": "Na1 Si6",
"formula_reduced": "NaSi6",
"formula_anonymous": "AB6",
"energy_above_hull": 2.9961943714285706,
"spacegroup": 175
},
{
"id": "jvasp-115009",
"created_at": "2022-09-04T14:38:44.054699Z",
"updated_at": "2022-09-04T14:38:44.054719Z",
"structure_string": "Si1 Ge1 N1\n1.0\n3.105200 -0.000000 0.000000\n0.000000 3.105200 0.000000\n0.000000 -0.000000 7.084627\nSi Ge N\n1 1 1\ndirect\n0.000000 -0.000000 -0.081371 Si\n0.000000 0.000000 0.444098 Ge\n0.000000 0.000000 0.690873 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"Ge",
"N"
],
"chemical_system": "Ge-N-Si",
"density": 2.7889342377888373,
"density_atomic": 0.04391623595508098,
"volume": 68.31186541279408,
"volume_molar": 13.712788969800714,
"formula_full": "Si1 Ge1 N1",
"formula_reduced": "SiGeN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.871255933333333,
"spacegroup": 99
},
{
"id": "jvasp-74660",
"created_at": "2022-09-04T14:35:45.076984Z",
"updated_at": "2022-09-04T14:35:45.077019Z",
"structure_string": "Ca2 Be1 Fe1\n1.0\n5.024026 0.000000 0.000000\n0.000000 5.024026 0.000000\n-0.000000 0.000000 3.421077\nCa Be Fe\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Fe"
],
"chemical_system": "Be-Ca-Fe",
"density": 2.7886240852927795,
"density_atomic": 0.04632264885867503,
"volume": 86.35084777218874,
"volume_molar": 13.000424000736325,
"formula_full": "Ca2 Be1 Fe1",
"formula_reduced": "Ca2BeFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.22306561,
"spacegroup": 123
},
{
"id": "jvasp-8470",
"created_at": "2022-09-04T14:37:02.626521Z",
"updated_at": "2022-09-04T14:37:02.626539Z",
"structure_string": "Ca3 Pb1 N1\n1.0\n5.880387 -0.000000 -0.000000\n-0.000000 5.880387 -0.000000\n0.000000 0.000000 5.880387\nCa Pb N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"N"
],
"chemical_system": "Ca-N-Pb",
"density": 2.78834597241756,
"density_atomic": 0.02458964607804593,
"volume": 203.3376155203831,
"volume_molar": 24.490554849330156,
"formula_full": "Ca3 Pb1 N1",
"formula_reduced": "Ca3PbN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.022607066,
"spacegroup": 221
},
{
"id": "jvasp-108995",
"created_at": "2022-09-04T14:37:46.339817Z",
"updated_at": "2022-09-04T14:37:46.339841Z",
"structure_string": "Na2 Nd1 Cu1 Cl6\n1.0\n6.342937 -0.000000 3.662096\n2.114312 5.980179 3.662096\n-0.000000 -0.000000 7.324193\nNa Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cu\n0.739647 0.260353 0.260354 Cl\n0.260353 0.260353 0.739647 Cl\n0.260353 0.739647 0.739647 Cl\n0.260353 0.739647 0.260354 Cl\n0.739647 0.260353 0.739647 Cl\n0.739647 0.739647 0.260354 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Nd",
"density": 2.7881935675253136,
"density_atomic": 0.03599445802199699,
"volume": 277.8205465377138,
"volume_molar": 16.730744372702432,
"formula_full": "Na2 Nd1 Cu1 Cl6",
"formula_reduced": "Na2NdCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-44469",
"created_at": "2022-09-04T14:38:09.670172Z",
"updated_at": "2022-09-04T14:38:09.670200Z",
"structure_string": "Cr4 O12\n1.0\n6.634175 0.013045 -0.109986\n-0.667180 6.600554 0.109986\n-1.441751 1.300792 5.482363\nCr O\n4 12\ndirect\n0.193963 0.621874 0.764650 Cr\n0.378125 0.806036 0.264651 Cr\n0.621875 0.193963 0.735349 Cr\n0.806037 0.378124 0.235349 Cr\n0.012438 0.783721 0.660873 O\n0.091284 0.391521 0.807006 O\n0.216279 0.987561 0.160873 O\n0.346274 0.648814 0.550324 O\n0.391522 0.091283 0.692994 O\n0.351186 0.653726 0.050325 O\n0.648815 0.346273 0.949675 O\n0.608479 0.908715 0.307006 O\n0.653727 0.351185 0.449675 O\n0.783722 0.012437 0.839126 O\n0.908717 0.608477 0.192994 O\n0.987563 0.216278 0.339126 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.7881588679458016,
"density_atomic": 0.06716656917370038,
"volume": 238.2137452729226,
"volume_molar": 8.965979406252027,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5764369750000005,
"spacegroup": 15
}
]
}