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_anonymous&page=180",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=178",
"results": [
{
"id": "jvasp-91637",
"created_at": "2022-09-04T14:35:51.644173Z",
"updated_at": "2022-09-04T14:35:51.644189Z",
"structure_string": "As1 N1 F6\n1.0\n3.867658 2.232993 1.942571\n-3.867658 2.232992 1.942571\n0.000000 -4.465987 1.942571\nAs N F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 As\n0.499999 0.499999 0.500000 N\n0.656461 0.779197 0.018572 F\n0.779197 0.018571 0.656462 F\n0.018571 0.656461 0.779198 F\n0.343539 0.220802 -0.018571 F\n0.220802 -0.018572 0.343539 F\n-0.018572 0.343539 0.220802 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"As",
"N",
"F"
],
"chemical_system": "As-F-N",
"density": 3.3473999098062297,
"density_atomic": 0.07947423884126614,
"volume": 100.66154915907275,
"volume_molar": 7.577475226944946,
"formula_full": "As1 N1 F6",
"formula_reduced": "AsNF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.837517086875,
"spacegroup": 148
},
{
"id": "jvasp-92903",
"created_at": "2022-09-04T14:35:51.629910Z",
"updated_at": "2022-09-04T14:35:51.629928Z",
"structure_string": "Mg6 Mo1 W1\n1.0\n6.181522 -0.153328 0.000000\n-3.223547 5.276691 0.000000\n0.000000 0.000000 4.724049\nMg Mo W\n6 1 1\ndirect\n0.183153 0.835270 0.250000 Mg\n0.664730 0.316846 0.250000 Mg\n0.670311 0.829688 0.250000 Mg\n0.317228 0.666414 0.750000 Mg\n0.833586 0.182771 0.750000 Mg\n0.829895 0.670104 0.750000 Mg\n0.190714 0.309285 0.250000 Mo\n0.310381 0.189619 0.750000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"W"
],
"chemical_system": "Mg-Mo-W",
"density": 4.657154816566076,
"density_atomic": 0.052716885141166805,
"volume": 151.75403437774003,
"volume_molar": 11.42355194900787,
"formula_full": "Mg6 Mo1 W1",
"formula_reduced": "Mg6MoW",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.3106612749999995,
"spacegroup": 38
},
{
"id": "jvasp-94108",
"created_at": "2022-09-04T14:36:12.414983Z",
"updated_at": "2022-09-04T14:36:12.414993Z",
"structure_string": "Mg6 Ni1 C1\n1.0\n6.631148 0.667968 0.000000\n-2.737097 6.076726 0.000000\n0.000000 0.000000 3.454811\nMg Ni C\n6 1 1\ndirect\n0.221747 0.929606 0.250000 Mg\n0.570394 0.278253 0.250000 Mg\n0.647103 0.852898 0.250000 Mg\n0.339213 0.512990 0.750000 Mg\n0.987010 0.160788 0.750000 Mg\n0.867266 0.632735 0.750000 Mg\n0.028405 0.471595 0.250000 Ni\n0.338860 0.161141 0.750000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"C"
],
"chemical_system": "C-Mg-Ni",
"density": 2.470710629849706,
"density_atomic": 0.05497135904349493,
"volume": 145.5303295970938,
"volume_molar": 10.955051621036162,
"formula_full": "Mg6 Ni1 C1",
"formula_reduced": "Mg6NiC",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3086683374999999,
"spacegroup": 38
},
{
"id": "jvasp-92870",
"created_at": "2022-09-04T14:36:21.675917Z",
"updated_at": "2022-09-04T14:36:21.675952Z",
"structure_string": "Hf1 Mg6 Nb1\n1.0\n6.396403 -0.140969 0.000000\n-3.320284 5.468962 0.000000\n0.000000 0.000000 4.948465\nHf Mg Nb\n1 6 1\ndirect\n0.303074 0.196926 0.749999 Hf\n0.181782 0.828366 0.250000 Mg\n0.671634 0.318218 0.250000 Mg\n0.673224 0.826776 0.250000 Mg\n0.315477 0.669906 0.749999 Mg\n0.830093 0.184523 0.749999 Mg\n0.828529 0.671471 0.749999 Mg\n0.196187 0.303813 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Nb"
],
"chemical_system": "Hf-Mg-Nb",
"density": 4.05657717509672,
"density_atomic": 0.04684129274985508,
"volume": 170.7894793323088,
"volume_molar": 12.85647856082843,
"formula_full": "Hf1 Mg6 Nb1",
"formula_reduced": "HfMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8725083374999999,
"spacegroup": 38
},
{
"id": "jvasp-3180",
"created_at": "2022-09-04T14:36:21.605251Z",
"updated_at": "2022-09-04T14:36:21.605285Z",
"structure_string": "K1 Au1 F6\n1.0\n4.965434 -0.028451 -0.719241\n-0.826891 4.896182 -0.719241\n-0.024189 -0.028451 5.017196\nK Au F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.721939 0.072909 0.721940 F\n0.072909 0.721940 0.721940 F\n0.278060 0.278060 0.927092 F\n0.927091 0.278060 0.278061 F\n0.278060 0.927091 0.278061 F\n0.721939 0.721940 0.072909 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Au",
"F"
],
"chemical_system": "Au-F-K",
"density": 4.778138727182948,
"density_atomic": 0.06576018124178556,
"volume": 121.65416592429663,
"volume_molar": 9.157731390456373,
"formula_full": "K1 Au1 F6",
"formula_reduced": "KAuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0002062499999999,
"spacegroup": 166
},
{
"id": "jvasp-91975",
"created_at": "2022-09-04T14:35:49.973045Z",
"updated_at": "2022-09-04T14:35:49.973068Z",
"structure_string": "Cr1 Cd1 F6\n1.0\n4.550405 0.035196 3.230747\n1.687364 4.226136 3.230746\n0.051521 0.035198 5.580435\nCr Cd F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500001 Cd\n0.377163 0.062974 0.785279 F\n0.062972 0.785280 0.377164 F\n0.214720 0.622838 0.937028 F\n0.937027 0.214723 0.622837 F\n0.622836 0.937029 0.214722 F\n0.785279 0.377164 0.062973 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"F"
],
"chemical_system": "Cd-Cr-F",
"density": 4.362843180601914,
"density_atomic": 0.07549968356606085,
"volume": 105.96070900085489,
"volume_molar": 7.976378807906838,
"formula_full": "Cr1 Cd1 F6",
"formula_reduced": "CrCdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-94169",
"created_at": "2022-09-04T14:36:21.744871Z",
"updated_at": "2022-09-04T14:36:21.744893Z",
"structure_string": "Mg6 Co1 C1\n1.0\n5.976904 -1.254253 0.000000\n-4.074666 7.057528 0.000000\n0.000000 0.000000 3.731524\nMg Co C\n6 1 1\ndirect\n0.785602 0.392707 0.250000 Mg\n0.785601 0.892896 0.250000 Mg\n0.268739 0.063886 0.749999 Mg\n0.268739 0.704854 0.749999 Mg\n0.916107 0.208054 0.749999 Mg\n0.686682 0.593342 0.749999 Mg\n0.288246 0.394123 0.250000 Co\n0.000281 0.750140 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Co",
"C"
],
"chemical_system": "C-Co-Mg",
"density": 2.602133767708714,
"density_atomic": 0.057831376166051295,
"volume": 138.33321166402112,
"volume_molar": 10.413275905295112,
"formula_full": "Mg6 Co1 C1",
"formula_reduced": "Mg6CoC",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.65433315,
"spacegroup": 38
},
{
"id": "jvasp-108690",
"created_at": "2022-09-04T14:38:01.591334Z",
"updated_at": "2022-09-04T14:38:01.591361Z",
"structure_string": "Zr1 Mn1 F6\n1.0\n5.058241 -0.000000 2.920377\n1.686080 4.768955 2.920377\n-0.000000 -0.000000 5.840753\nZr Mn F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.745190 0.254810 0.254810 F\n0.254809 0.745191 0.745190 F\n0.254809 0.745191 0.254810 F\n0.745190 0.254810 0.745190 F\n0.254809 0.254810 0.745190 F\n0.745190 0.745191 0.254810 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"F"
],
"chemical_system": "F-Mn-Zr",
"density": 3.0660939541577505,
"density_atomic": 0.05678039433832549,
"volume": 140.89370271597744,
"volume_molar": 10.606021374415132,
"formula_full": "Zr1 Mn1 F6",
"formula_reduced": "ZrMnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6976291795474139,
"spacegroup": 225
},
{
"id": "jvasp-93208",
"created_at": "2022-09-04T14:36:21.646840Z",
"updated_at": "2022-09-04T14:36:21.646860Z",
"structure_string": "Mg6 Ti1 Nb1\n1.0\n6.337411 0.299572 0.000000\n-2.909268 5.039000 0.000000\n0.000000 0.000000 5.001942\nMg Ti Nb\n6 1 1\ndirect\n0.650596 0.324971 0.250000 Mg\n0.650596 0.825624 0.250000 Mg\n0.332709 0.163424 0.750000 Mg\n0.332709 0.669287 0.750000 Mg\n0.863687 0.181843 0.750000 Mg\n0.862026 0.681013 0.750000 Mg\n0.155940 0.327970 0.250000 Ti\n0.151735 0.825867 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.9002924533464696,
"density_atomic": 0.048753003276525333,
"volume": 164.09245507654737,
"volume_molar": 12.352348276561811,
"formula_full": "Mg6 Ti1 Nb1",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6410677541666666,
"spacegroup": 38
},
{
"id": "jvasp-93102",
"created_at": "2022-09-04T14:35:58.234631Z",
"updated_at": "2022-09-04T14:35:58.234660Z",
"structure_string": "Mg6 Nb1 Si1\n1.0\n6.170380 0.034352 0.000000\n-3.055440 5.360880 0.000000\n0.000000 0.000000 4.824320\nMg Nb Si\n6 1 1\ndirect\n0.168409 0.840370 0.250000 Mg\n0.659629 0.331591 0.250000 Mg\n0.667145 0.832855 0.250000 Mg\n0.328280 0.669400 0.750000 Mg\n0.830600 0.171720 0.750000 Mg\n0.831403 0.668596 0.750000 Mg\n0.320367 0.179633 0.750000 Nb\n0.194165 0.305835 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Si"
],
"chemical_system": "Mg-Nb-Si",
"density": 2.767646217781924,
"density_atomic": 0.04997237888624178,
"volume": 160.0884364182737,
"volume_molar": 12.050938726989429,
"formula_full": "Mg6 Nb1 Si1",
"formula_reduced": "Mg6NbSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5263565374999999,
"spacegroup": 38
},
{
"id": "jvasp-8354",
"created_at": "2022-09-04T14:37:17.234393Z",
"updated_at": "2022-09-04T14:37:17.234404Z",
"structure_string": "Mg1 Ni1 F6\n1.0\n4.336321 0.075538 2.870117\n1.581040 4.038526 2.870118\n0.108649 0.075537 5.198985\nMg Ni F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Ni\n0.378909 0.089670 0.769876 F\n0.089669 0.769878 0.378909 F\n0.230123 0.621092 0.910329 F\n0.910330 0.230125 0.621090 F\n0.621090 0.910332 0.230124 F\n0.769876 0.378910 0.089670 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"F"
],
"chemical_system": "F-Mg-Ni",
"density": 3.692277801627945,
"density_atomic": 0.09030123331633608,
"volume": 88.59236697216569,
"volume_molar": 6.66894630209946,
"formula_full": "Mg1 Ni1 F6",
"formula_reduced": "MgNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-26725",
"created_at": "2022-09-04T14:38:00.249288Z",
"updated_at": "2022-09-04T14:38:00.249308Z",
"structure_string": "Sr1 Ni1 F6\n1.0\n4.629598 -0.007440 -0.748011\n-0.877403 4.545700 -0.748011\n-0.006151 -0.007440 4.689633\nSr Ni F\n1 1 6\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ni\n0.720634 0.720633 0.068533 F\n0.720633 0.068532 0.720633 F\n0.279368 0.931468 0.279367 F\n0.279368 0.279367 0.931467 F\n0.931468 0.279367 0.279367 F\n0.068533 0.720633 0.720633 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ni",
"F"
],
"chemical_system": "F-Ni-Sr",
"density": 4.383375174104246,
"density_atomic": 0.08112766809982362,
"volume": 98.61000799574803,
"volume_molar": 7.423041856189003,
"formula_full": "Sr1 Ni1 F6",
"formula_reduced": "SrNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0035263206249999,
"spacegroup": 166
}
]
}