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=362",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=360",
"results": [
{
"id": "jvasp-115337",
"created_at": "2022-09-04T14:38:46.148211Z",
"updated_at": "2022-09-04T14:38:46.148227Z",
"structure_string": "Ta1 Sn1 O1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nTa Sn O\n1 1 1\ndirect\n-0.098241 -0.030424 0.000000 Ta\n-0.000566 0.348889 0.000000 Sn\n0.313865 -0.000606 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ta",
"density": 2.5234213048401912,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Ta1 Sn1 O1",
"formula_reduced": "TaSnO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.7115448,
"spacegroup": 6
},
{
"id": "jvasp-5770",
"created_at": "2022-09-04T14:38:16.934030Z",
"updated_at": "2022-09-04T14:38:16.934047Z",
"structure_string": "As2 Cl10\n1.0\n6.193024 0.000000 0.000000\n0.000000 7.033151 0.000000\n0.000000 0.000000 7.619934\nAs Cl\n2 10\ndirect\n0.833538 0.000000 0.500000 As\n0.166461 0.500000 0.000000 As\n0.834710 0.000000 0.202272 Cl\n0.834710 0.000000 0.797727 Cl\n0.350784 0.235027 0.000000 Cl\n0.350784 0.764973 0.000000 Cl\n0.649215 0.735027 0.500000 Cl\n0.649215 0.264973 0.500000 Cl\n0.814916 0.500000 0.000000 Cl\n0.185084 0.000000 0.500000 Cl\n0.165289 0.500000 0.702272 Cl\n0.165289 0.500000 0.297728 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Cl"
],
"chemical_system": "As-Cl",
"density": 2.5234644168107936,
"density_atomic": 0.0361557464023962,
"volume": 331.89744906510094,
"volume_molar": 16.656109634624737,
"formula_full": "As2 Cl10",
"formula_reduced": "AsCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.4549986812499998,
"spacegroup": 59
},
{
"id": "jvasp-52575",
"created_at": "2022-09-04T14:35:40.985622Z",
"updated_at": "2022-09-04T14:35:40.985645Z",
"structure_string": "Ca2 Cu1 B2 H12 O12\n1.0\n-5.666363 -0.029947 0.002197\n-0.048046 -5.675248 0.053410\n2.687787 0.930102 7.548789\nCa Cu B H O\n2 1 2 12 12\ndirect\n0.777064 0.502947 0.760496 Ca\n0.222936 0.497054 0.239504 Ca\n0.000000 0.000000 0.000000 Cu\n0.249112 0.280522 0.590742 B\n0.750888 0.719480 0.409259 B\n0.517240 0.011753 0.386642 H\n0.957762 0.959068 0.631484 H\n0.792620 0.775178 0.170836 H\n0.308638 0.707553 0.956998 H\n0.190138 0.639247 0.619436 H\n0.556472 0.941055 0.894184 H\n0.691361 0.292449 0.043003 H\n0.207380 0.224824 0.829165 H\n0.443528 0.058946 0.105817 H\n0.042238 0.040933 0.368516 H\n0.482759 -0.011752 0.613359 H\n0.809862 0.360754 0.380564 H\n0.901839 0.789076 0.596547 O\n0.678898 0.823318 0.946191 O\n0.149456 0.691154 0.978467 O\n0.324055 0.532897 0.604462 O\n0.675945 0.467105 0.395538 O\n0.098161 0.210925 0.403454 O\n0.321102 0.176684 0.053810 O\n0.096817 0.239809 0.704561 O\n0.489946 0.158538 0.649434 O\n0.903183 0.760192 0.295439 O\n0.850544 0.308847 0.021535 O\n0.510054 0.841464 0.350567 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Ca",
"Cu",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-Cu-H-O",
"density": 2.5238163680896077,
"density_atomic": 0.11931514133542111,
"volume": 243.0538125791983,
"volume_molar": 5.047256108988244,
"formula_full": "Ca2 Cu1 B2 H12 O12",
"formula_reduced": "Ca2CuB2(HO)12",
"formula_anonymous": "AB2C2D12E12",
"energy_above_hull": 2.9331413260919543,
"spacegroup": 2
},
{
"id": "jvasp-37212",
"created_at": "2022-09-04T14:37:53.249409Z",
"updated_at": "2022-09-04T14:37:53.249424Z",
"structure_string": "Si3 B12\n1.0\n3.117275 1.799760 4.182100\n-3.117275 1.799760 4.182100\n0.000000 -3.599519 4.182100\nSi B\n3 12\ndirect\n0.327420 0.327420 0.327420 Si\n0.672580 0.672580 0.672580 Si\n0.500000 0.500000 0.500000 Si\n0.823745 0.274226 0.823746 B\n0.823746 0.823746 0.274225 B\n0.274226 0.823745 0.823746 B\n0.725774 0.176254 0.176254 B\n0.176254 0.176254 0.725776 B\n0.176254 0.725774 0.176254 B\n0.985919 0.677526 0.985920 B\n0.985920 0.985920 0.677525 B\n0.677526 0.985919 0.985920 B\n0.322474 0.014081 0.014080 B\n0.014080 0.014080 0.322475 B\n0.014081 0.322474 0.014080 B\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Si",
"B"
],
"chemical_system": "B-Si",
"density": 2.52408651656929,
"density_atomic": 0.10655061579326416,
"volume": 140.77816339516883,
"volume_molar": 5.651906105999909,
"formula_full": "Si3 B12",
"formula_reduced": "SiB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.533077786666667,
"spacegroup": 166
},
{
"id": "jvasp-117689",
"created_at": "2022-09-04T14:38:49.936784Z",
"updated_at": "2022-09-04T14:38:49.936803Z",
"structure_string": "Li1 Be1 Se1\n1.0\n3.028025 0.000000 -0.000000\n-0.000000 3.028025 0.000000\n0.000000 -0.000000 6.809303\nLi Be Se\n1 1 1\ndirect\n0.000000 0.000000 0.656867 Li\n0.000000 0.000000 0.313003 Be\n0.000000 0.000000 0.006045 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Be",
"Se"
],
"chemical_system": "Be-Li-Se",
"density": 2.524376091142174,
"density_atomic": 0.048050695921111254,
"volume": 62.43405933028201,
"volume_molar": 12.532889783504988,
"formula_full": "Li1 Be1 Se1",
"formula_reduced": "LiBeSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.243009822222222,
"spacegroup": 99
},
{
"id": "jvasp-119915",
"created_at": "2022-09-04T14:38:51.994514Z",
"updated_at": "2022-09-04T14:38:51.994550Z",
"structure_string": "B1 H2 O2\n1.0\n2.486094 0.000000 -0.000000\n-1.243047 2.153021 0.000000\n0.000000 0.000000 5.507699\nB H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 B\n0.333332 0.666668 0.631904 H\n0.666665 0.333334 0.368095 H\n0.333332 0.666668 0.843321 O\n0.666665 0.333334 0.156679 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 2.524875539375048,
"density_atomic": 0.1696031817571093,
"volume": 29.48057900918721,
"volume_molar": 3.5507239295925346,
"formula_full": "B1 H2 O2",
"formula_reduced": "B(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.966157916666667,
"spacegroup": 164
},
{
"id": "jvasp-24654",
"created_at": "2022-09-04T14:37:10.140625Z",
"updated_at": "2022-09-04T14:37:10.140652Z",
"structure_string": "Na6 Cd1 Cl8\n1.0\n6.857732 0.000000 3.959313\n2.285911 6.465531 3.959313\n0.000000 0.000000 7.918627\nNa Cd Cl\n6 1 8\ndirect\n0.500000 -0.000000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n-0.000000 0.500000 0.500000 Na\n-0.000000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Cd\n0.238525 0.761475 0.761475 Cl\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750000 Cl\n0.761474 0.238525 0.238525 Cl\n0.761474 0.761475 0.238525 Cl\n0.238525 0.238525 0.761475 Cl\n0.761474 0.238525 0.761475 Cl\n0.238525 0.761475 0.238525 Cl\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Na",
"density": 2.5254239938977214,
"density_atomic": 0.042722500687103176,
"volume": 351.1030430980393,
"volume_molar": 14.095946312004925,
"formula_full": "Na6 Cd1 Cl8",
"formula_reduced": "Na6CdCl8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-54379",
"created_at": "2022-09-04T14:37:39.517917Z",
"updated_at": "2022-09-04T14:37:39.517945Z",
"structure_string": "Na4 Cl4 O12\n1.0\n6.541553 -0.000000 -0.000000\n-0.000000 6.541553 -0.000000\n-0.000000 0.000000 6.541553\nNa Cl O\n4 4 12\ndirect\n0.070415 0.070415 0.070415 Na\n0.929584 0.570415 0.429584 Na\n0.429584 0.929584 0.570415 Na\n0.570415 0.429584 0.929584 Na\n0.914078 0.085922 0.585921 Cl\n0.585921 0.914078 0.085922 Cl\n0.414078 0.414078 0.414078 Cl\n0.085922 0.585921 0.914078 Cl\n0.701021 0.093701 -0.000637 O\n0.201021 0.406299 0.000637 O\n0.406299 0.000637 0.201021 O\n0.093701 -0.000637 0.701021 O\n0.906299 0.499363 0.798979 O\n0.499363 0.798979 0.906299 O\n-0.000637 0.701021 0.093701 O\n0.798979 0.906299 0.499363 O\n0.500636 0.298979 0.593700 O\n0.000637 0.201021 0.406299 O\n0.298979 0.593700 0.500636 O\n0.593700 0.500636 0.298979 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 2.525662501002097,
"density_atomic": 0.07144756009565195,
"volume": 279.9255842078382,
"volume_molar": 8.428756352124175,
"formula_full": "Na4 Cl4 O12",
"formula_reduced": "NaClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.349621742333333,
"spacegroup": 198
},
{
"id": "jvasp-49810",
"created_at": "2022-09-04T14:37:02.167922Z",
"updated_at": "2022-09-04T14:37:02.167943Z",
"structure_string": "Li4 Ti2 B4 O12\n1.0\n5.045857 -0.090064 -0.007278\n0.159476 5.902750 -0.061539\n0.351706 1.951663 7.892020\nLi Ti B O\n4 2 4 12\ndirect\n0.336014 0.676449 0.606739 Li\n0.170294 0.490607 0.203697 Li\n0.860242 0.488752 0.784776 Li\n0.694526 0.302919 0.381720 Li\n0.360895 -0.001470 0.245201 Ti\n0.669656 -0.019168 0.743251 Ti\n0.849244 0.831500 0.434682 B\n0.363786 0.307146 0.898592 B\n0.666763 0.672224 0.089860 B\n0.181303 0.147859 0.553771 B\n0.909924 0.170526 0.582691 O\n0.302656 0.248794 0.401452 O\n0.807373 0.538510 0.208403 O\n0.613572 0.214471 0.860799 O\n0.416979 0.764896 0.127650 O\n0.319360 -0.008189 0.677916 O\n0.727888 0.730566 0.586999 O\n0.120626 0.808840 0.405757 O\n0.747753 0.728556 0.917334 O\n0.282806 0.250811 0.071119 O\n0.223171 0.440856 0.780053 O\n0.711194 0.987549 0.310534 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"B",
"O"
],
"chemical_system": "B-Li-O-Ti",
"density": 2.5263339768711606,
"density_atomic": 0.09330197517955302,
"volume": 235.79350766864863,
"volume_molar": 6.454462243067007,
"formula_full": "Li4 Ti2 B4 O12",
"formula_reduced": "Li2Ti(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9070995,
"spacegroup": 2
},
{
"id": "jvasp-92905",
"created_at": "2022-09-04T14:35:58.194192Z",
"updated_at": "2022-09-04T14:35:58.194213Z",
"structure_string": "Ba1 Mg6 C1\n1.0\n8.006859 0.052840 0.000000\n-3.957669 6.960563 0.000000\n0.000000 0.000000 3.467865\nBa Mg C\n1 6 1\ndirect\n0.152314 0.347686 0.250000 Ba\n0.202273 0.956170 0.250000 Mg\n0.543830 0.297726 0.250000 Mg\n0.713584 0.786416 0.250000 Mg\n0.367523 0.790436 0.750001 Mg\n0.709563 0.132477 0.750001 Mg\n0.912791 0.587208 0.750001 Mg\n0.398121 0.101879 0.750001 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"C"
],
"chemical_system": "Ba-C-Mg",
"density": 2.526519474810737,
"density_atomic": 0.04123772598546394,
"volume": 193.99711814419527,
"volume_molar": 14.603474406233675,
"formula_full": "Ba1 Mg6 C1",
"formula_reduced": "BaMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1259887837499999,
"spacegroup": 38
},
{
"id": "jvasp-34773",
"created_at": "2022-09-04T14:38:04.201401Z",
"updated_at": "2022-09-04T14:38:04.201426Z",
"structure_string": "Na4 Cl4 O12\n1.0\n6.540728 0.000000 -0.000000\n-0.000000 6.540728 -0.000000\n-0.000000 -0.000000 6.540728\nNa Cl O\n4 4 12\ndirect\n0.070369 0.070369 0.070369 Na\n0.429631 0.929632 0.570369 Na\n0.570369 0.429631 0.929632 Na\n0.929632 0.570369 0.429631 Na\n0.414062 0.414062 0.414062 Cl\n0.085939 0.585939 0.914062 Cl\n0.914062 0.085939 0.585939 Cl\n0.585939 0.914062 0.085939 Cl\n0.500555 0.298973 0.593755 O\n0.298973 0.593755 0.500555 O\n0.000555 0.201027 0.406246 O\n0.406246 0.000555 0.201027 O\n0.999445 0.701028 0.093755 O\n0.701028 0.093755 0.999445 O\n0.093755 0.999445 0.701028 O\n0.798973 0.906246 0.499445 O\n0.593755 0.500555 0.298973 O\n0.201027 0.406246 0.000555 O\n0.499445 0.798973 0.906246 O\n0.906246 0.499445 0.798973 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 2.526618327812324,
"density_atomic": 0.07147459913726484,
"volume": 279.81968757307186,
"volume_molar": 8.425567729921308,
"formula_full": "Na4 Cl4 O12",
"formula_reduced": "NaClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.349643742333333,
"spacegroup": 198
},
{
"id": "jvasp-97421",
"created_at": "2022-09-04T14:36:06.289818Z",
"updated_at": "2022-09-04T14:36:06.289830Z",
"structure_string": "Cu2 C8 O8\n1.0\n5.203732 -0.053357 1.917569\n1.834331 6.458236 1.796508\n-0.112537 0.653110 6.918222\nCu C O\n2 8 8\ndirect\n0.749999 0.110533 0.889467 Cu\n0.249999 0.889467 0.110534 Cu\n0.370641 0.976554 0.647752 C\n0.099158 0.549934 0.072404 C\n0.129358 0.352248 0.023446 C\n0.599158 0.072404 0.549934 C\n0.900841 0.450066 0.927597 C\n0.400841 0.927597 0.450067 C\n0.629358 0.023446 0.352248 C\n0.870641 0.647752 0.976554 C\n0.702301 0.821591 0.947485 O\n0.202301 0.947485 0.821591 O\n0.776008 0.402300 0.836206 O\n0.223991 0.597701 0.163794 O\n0.723991 0.163794 0.597701 O\n0.797698 0.052515 0.178409 O\n0.297698 0.178409 0.052515 O\n0.276008 0.836206 0.402300 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 2.5268773522806858,
"density_atomic": 0.07799858071897496,
"volume": 230.7734299019249,
"volume_molar": 7.720833769652138,
"formula_full": "Cu2 C8 O8",
"formula_reduced": "Cu(CO)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.327284938888889,
"spacegroup": 15
}
]
}