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=-nsites&page=453",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=451",
"results": [
{
"id": "jvasp-19040",
"created_at": "2022-09-04T14:38:14.054899Z",
"updated_at": "2022-09-04T14:38:14.054921Z",
"structure_string": "Sm4 Ti4 O14\n1.0\n6.297702 -0.000000 3.635979\n2.099234 5.937529 3.635979\n0.000000 0.000000 7.271959\nSm Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Sm\n-0.000000 0.500000 0.500000 Sm\n0.500000 -0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.077068 0.672932 0.077069 O\n0.672932 0.077068 0.672932 O\n0.672932 0.077068 0.077068 O\n0.624999 0.625000 0.625000 O\n0.922931 0.327068 0.327069 O\n0.327068 0.922932 0.327069 O\n0.327068 0.327068 0.922932 O\n0.922931 0.922932 0.327069 O\n0.922931 0.327068 0.922932 O\n0.077068 0.672932 0.672932 O\n0.327068 0.922932 0.922932 O\n0.375000 0.375000 0.375000 O\n0.672931 0.672932 0.077069 O\n0.077068 0.077068 0.672932 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Ti",
"O"
],
"chemical_system": "O-Sm-Ti",
"density": 6.209947120593259,
"density_atomic": 0.08090649903652683,
"volume": 271.9188231104607,
"volume_molar": 7.443333763930616,
"formula_full": "Sm4 Ti4 O14",
"formula_reduced": "Sm2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.712864446969697,
"spacegroup": 227
},
{
"id": "jvasp-43394",
"created_at": "2022-09-04T14:38:28.603858Z",
"updated_at": "2022-09-04T14:38:28.603872Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n0.000000 5.002027 0.043131\n6.497842 0.000000 0.000000\n0.000000 -0.771247 -8.616011\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.843434 0.250000 0.896406 Li\n0.156566 0.750000 0.103594 Li\n0.783095 0.750000 0.677963 Sn\n0.216905 0.250000 0.322037 Sn\n0.742513 0.250000 0.584816 P\n0.257487 0.750000 0.415184 P\n0.618689 0.750000 0.949538 C\n0.381311 0.250000 0.050462 C\n0.536740 0.250000 0.182917 O\n0.179962 0.933752 0.305027 O\n0.179962 0.566248 0.305027 O\n0.886283 0.250000 0.437700 O\n0.562510 0.750000 0.465476 O\n0.437490 0.250000 0.534524 O\n0.463260 0.750000 0.817083 O\n0.820038 0.433752 0.694973 O\n0.820038 0.066248 0.694973 O\n0.534153 0.750000 0.079416 O\n0.465847 0.250000 0.920584 O\n0.882471 0.750000 0.927222 O\n0.113717 0.750000 0.562300 O\n0.117529 0.250000 0.072778 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Sn",
"density": 3.3306504572187094,
"density_atomic": 0.07862064373614588,
"volume": 279.82472483732016,
"volume_molar": 7.659744914084591,
"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.796736518181818,
"spacegroup": 11
},
{
"id": "jvasp-55135",
"created_at": "2022-09-04T14:38:29.830938Z",
"updated_at": "2022-09-04T14:38:29.830967Z",
"structure_string": "K2 Sr2 Nb4 O12 F2\n1.0\n3.907790 0.000043 -0.000255\n-0.000037 7.779363 -0.000072\n-1.953332 -3.889461 11.209787\nK Sr Nb O F\n2 2 4 12 2\ndirect\n0.237142 0.237113 0.474225 K\n0.762858 0.762886 0.525775 K\n-0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.607938 0.353797 0.215841 Nb\n0.607932 0.862045 0.215841 Nb\n0.392062 0.646203 0.784159 Nb\n0.392067 0.137955 0.784159 Nb\n0.594725 0.594705 0.189410 O\n0.084626 0.332240 0.169218 O\n0.915380 0.163027 0.830782 O\n0.312382 0.593744 0.624825 O\n0.405275 0.405295 0.810590 O\n0.422331 0.922350 0.844699 O\n0.915374 0.667760 0.830782 O\n0.084619 0.836972 0.169218 O\n0.687618 0.406256 0.375175 O\n0.577669 0.077650 0.155301 O\n0.312392 0.031080 0.624825 O\n0.687607 0.968919 0.375175 O\n0.500000 0.276842 0.000000 F\n0.499999 0.723157 -0.000000 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Sr",
"Nb",
"O",
"F"
],
"chemical_system": "F-K-Nb-O-Sr",
"density": 4.166536626395841,
"density_atomic": 0.0645589411910334,
"volume": 340.7738663944442,
"volume_molar": 9.32812813980353,
"formula_full": "K2 Sr2 Nb4 O12 F2",
"formula_reduced": "KSrNb2O6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 2.3472722175,
"spacegroup": 71
},
{
"id": "jvasp-46823",
"created_at": "2022-09-04T14:38:14.043058Z",
"updated_at": "2022-09-04T14:38:14.043084Z",
"structure_string": "K2 Nb2 P2 C2 O14\n1.0\n0.000000 5.026185 -0.418843\n6.456167 0.000000 0.000000\n0.000000 0.626951 -9.694182\nK Nb P C O\n2 2 2 2 14\ndirect\n0.903961 0.651655 0.157768 K\n0.096039 0.151655 0.842231 K\n0.266966 0.226104 0.329299 Nb\n0.733035 0.726104 0.670701 Nb\n0.325088 0.728766 0.433844 P\n0.674913 0.228766 0.566155 P\n0.477186 0.244404 0.072964 C\n0.522815 0.744404 0.927035 C\n0.383432 0.748255 0.821300 O\n0.719623 0.419362 0.658979 O\n0.725554 0.038872 0.656713 O\n0.127958 0.733226 0.569156 O\n0.383945 0.227525 0.536569 O\n0.616056 0.727525 0.463430 O\n0.616569 0.248255 0.178699 O\n0.274447 0.538872 0.343287 O\n0.280378 0.919363 0.341020 O\n0.788833 0.741764 0.880648 O\n0.211168 0.241764 0.119352 O\n0.427561 0.742219 0.051767 O\n0.872043 0.233226 0.430843 O\n0.572440 0.242219 -0.051767 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Nb",
"P",
"C",
"O"
],
"chemical_system": "C-K-Nb-O-P",
"density": 3.0462160168574584,
"density_atomic": 0.07031454566610629,
"volume": 312.87978599006516,
"volume_molar": 8.56457323723113,
"formula_full": "K2 Nb2 P2 C2 O14",
"formula_reduced": "KNbPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.155857945454545,
"spacegroup": 4
},
{
"id": "jvasp-52502",
"created_at": "2022-09-04T14:38:13.813373Z",
"updated_at": "2022-09-04T14:38:13.813405Z",
"structure_string": "Li12 Cu2 O8\n1.0\n0.000115 0.000550 4.553017\n-6.564680 0.131855 0.000167\n-0.132034 -6.564699 0.000861\nLi Cu O\n12 2 8\ndirect\n0.749995 0.967417 0.467414 Li\n0.249993 0.031614 0.531609 Li\n0.804612 0.249524 0.249523 Li\n0.304614 0.249527 0.249519 Li\n0.249956 0.467423 0.531617 Li\n0.249995 0.467417 0.967413 Li\n0.250032 0.031621 0.967418 Li\n0.749957 0.531621 0.467419 Li\n0.195377 0.749522 0.749524 Li\n0.695375 0.749528 0.749519 Li\n0.750032 0.967423 0.031618 Li\n0.749995 0.531615 0.031610 Li\n0.250001 0.749525 0.249525 Cu\n0.749988 0.249528 0.749521 Cu\n0.545634 0.249522 0.017555 O\n0.954370 0.981491 0.749520 O\n0.454368 0.749524 0.981486 O\n0.454357 0.749523 0.517554 O\n0.954357 0.517558 0.749518 O\n0.045618 0.481491 0.249519 O\n0.545618 0.249523 0.481486 O\n0.045632 0.017559 0.249517 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 2.8625276503671304,
"density_atomic": 0.1120778043712274,
"volume": 196.292210785384,
"volume_molar": 5.37317874291442,
"formula_full": "Li12 Cu2 O8",
"formula_reduced": "Li6CuO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.311385859090909,
"spacegroup": 137
},
{
"id": "jvasp-45914",
"created_at": "2022-09-04T14:38:06.386100Z",
"updated_at": "2022-09-04T14:38:06.386124Z",
"structure_string": "V4 P4 O14\n1.0\n0.000000 4.467606 0.005712\n10.263893 0.000000 0.000000\n0.000000 -0.614904 -5.330168\nV P O\n4 4 14\ndirect\n0.597757 0.156364 0.920990 V\n0.402246 0.656364 0.579011 V\n0.597756 0.343636 0.420990 V\n0.402245 0.843636 0.079010 V\n0.143612 0.388772 0.849963 P\n0.856390 0.888772 0.650038 P\n0.143612 0.111228 0.349962 P\n0.856390 0.611228 0.150038 P\n0.884812 0.202680 0.252538 O\n0.115189 0.702680 0.247463 O\n0.712823 0.545655 0.364938 O\n0.000000 0.000000 0.500000 O\n0.618367 0.825051 0.459124 O\n0.381635 0.174949 0.540877 O\n0.712823 0.954345 0.864938 O\n0.884813 0.297320 0.752538 O\n0.115190 0.797320 0.747463 O\n0.287179 0.045655 0.135063 O\n0.000000 0.500000 0.000000 O\n0.618368 0.674949 0.959124 O\n0.287179 0.454345 0.635063 O\n0.381634 0.325051 0.040877 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.748443653415555,
"density_atomic": 0.09002411550667626,
"volume": 244.37896308315814,
"volume_molar": 6.689475065771009,
"formula_full": "V4 P4 O14",
"formula_reduced": "V2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.273536718181818,
"spacegroup": 14
},
{
"id": "jvasp-43423",
"created_at": "2022-09-04T14:38:06.451270Z",
"updated_at": "2022-09-04T14:38:06.451304Z",
"structure_string": "Li4 Ti2 Mn4 O12\n1.0\n5.089654 0.205443 0.000000\n-2.380117 4.503534 0.000000\n0.000000 0.000000 10.061222\nLi Ti Mn O\n4 2 4 12\ndirect\n0.095834 0.595834 0.750000 Li\n0.404164 0.904164 0.250000 Li\n0.595834 0.095835 0.750000 Li\n0.904164 0.404164 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500000 Ti\n0.164700 0.835298 0.500000 Mn\n0.335298 0.664700 0.000000 Mn\n0.664700 0.335299 0.000000 Mn\n0.835298 0.164700 0.500000 Mn\n0.553781 0.207699 0.387142 O\n0.829245 0.829246 0.409301 O\n0.292299 0.946217 0.887142 O\n0.670752 0.670752 0.909301 O\n0.329246 0.329246 0.090699 O\n0.053781 0.707699 0.112858 O\n0.446217 0.792299 0.612858 O\n0.207699 0.553782 0.387142 O\n0.946217 0.292299 0.887142 O\n0.792299 0.446217 0.612858 O\n0.170753 0.170753 0.590699 O\n0.707699 0.053782 0.112858 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.773465285583195,
"density_atomic": 0.09340345957146234,
"volume": 235.53731415235163,
"volume_molar": 6.447449363899098,
"formula_full": "Li4 Ti2 Mn4 O12",
"formula_reduced": "Li2TiMn2O6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.889612165099268,
"spacegroup": 64
},
{
"id": "jvasp-56665",
"created_at": "2022-09-04T14:38:14.677377Z",
"updated_at": "2022-09-04T14:38:14.677405Z",
"structure_string": "Mo2 Pb6 Cl4 O10\n1.0\n5.632647 0.000000 0.000000\n-2.816324 6.552494 -0.000000\n0.000000 0.000000 11.130250\nMo Pb Cl O\n2 6 4 10\ndirect\n0.233735 0.467470 0.250000 Mo\n0.766265 0.532530 0.750000 Mo\n0.349456 0.698911 0.532809 Pb\n0.650544 0.301089 0.032809 Pb\n0.349456 0.698911 0.967191 Pb\n0.100802 0.201604 0.750000 Pb\n0.650544 0.301089 0.467191 Pb\n0.899199 0.798395 0.250000 Pb\n0.000000 0.000000 0.000000 Cl\n0.517840 0.035680 0.750000 Cl\n0.482161 0.964319 0.250000 Cl\n0.000000 0.000000 0.500000 Cl\n0.103722 0.207444 0.250000 O\n0.037768 0.541645 0.368839 O\n0.496124 0.458354 0.631161 O\n0.962232 0.458354 0.868839 O\n0.962232 0.458354 0.631161 O\n0.896278 0.792556 0.750000 O\n0.496124 0.458354 0.868839 O\n0.037768 0.541645 0.131161 O\n0.503876 0.541645 0.368839 O\n0.503876 0.541645 0.131161 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mo",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Pb",
"density": 7.0209572093805175,
"density_atomic": 0.05355482381616471,
"volume": 410.7939944965263,
"volume_molar": 11.244814810094304,
"formula_full": "Mo2 Pb6 Cl4 O10",
"formula_reduced": "MoPb3Cl2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 1.935434908636364,
"spacegroup": 63
},
{
"id": "jvasp-55279",
"created_at": "2022-09-04T14:38:14.986781Z",
"updated_at": "2022-09-04T14:38:14.986801Z",
"structure_string": "Sr6 Ho2 Rh2 O12\n1.0\n6.806285 -0.000847 -0.244596\n-0.253514 6.801563 -0.244596\n-0.000815 -0.000847 6.810679\nSr Ho Rh O\n6 2 2 12\ndirect\n0.750001 0.380257 0.119742 Sr\n0.119743 0.749999 0.380257 Sr\n0.380258 0.119742 0.750000 Sr\n0.880259 0.249999 0.619742 Sr\n0.250001 0.619742 0.880257 Sr\n0.619743 0.880257 0.249999 Sr\n0.250000 0.250000 0.250000 Ho\n0.750001 0.749999 0.749999 Ho\n0.000000 0.000000 0.000000 Rh\n0.500001 0.499999 0.499999 Rh\n0.090513 0.292211 0.956534 O\n0.792212 0.590511 0.456533 O\n0.543467 0.207788 0.409488 O\n0.409489 0.543466 0.207788 O\n0.207789 0.409487 0.543466 O\n0.707790 0.043465 0.909488 O\n0.909489 0.707788 0.043465 O\n0.043467 0.909487 0.707788 O\n0.456535 0.792210 0.590511 O\n0.590513 0.456533 0.792211 O\n0.956535 0.090511 0.292211 O\n0.292212 0.956533 0.090511 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Ho",
"Rh",
"O"
],
"chemical_system": "Ho-O-Rh-Sr",
"density": 6.6013084547801615,
"density_atomic": 0.06977812745379638,
"volume": 315.2850442220209,
"volume_molar": 8.630413253762882,
"formula_full": "Sr6 Ho2 Rh2 O12",
"formula_reduced": "Sr3HoRhO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6196116815151511,
"spacegroup": 167
},
{
"id": "jvasp-52467",
"created_at": "2022-09-04T14:38:15.415766Z",
"updated_at": "2022-09-04T14:38:15.415794Z",
"structure_string": "Ba4 Sb4 O14\n1.0\n-3.892474 5.369704 4.031156\n3.892474 -5.369704 4.031156\n3.892474 5.369704 -4.031156\nBa Sb O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.203742 0.291937 0.911803 O\n0.119867 0.708063 0.411803 O\n0.545602 0.227847 0.922046 O\n0.454397 0.376444 0.682244 O\n0.194200 0.376444 0.422046 O\n0.805800 0.623556 0.577953 O\n0.880133 0.291937 0.588196 O\n0.545603 0.623556 0.317755 O\n0.796258 0.708063 0.088196 O\n0.597878 0.847877 0.749999 O\n0.402122 0.152122 0.250000 O\n0.805800 0.227848 0.182244 O\n0.454398 0.772153 0.077953 O\n0.194200 0.772152 0.817755 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 6.2097056798729575,
"density_atomic": 0.06527652366841218,
"volume": 337.0277515352119,
"volume_molar": 9.225584362597054,
"formula_full": "Ba4 Sb4 O14",
"formula_reduced": "Ba2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.957138058181818,
"spacegroup": 74
},
{
"id": "jvasp-26736",
"created_at": "2022-09-04T14:38:28.964422Z",
"updated_at": "2022-09-04T14:38:28.964460Z",
"structure_string": "Na2 Sr6 Bi2 O12\n1.0\n7.007306 -0.008358 -0.163340\n-0.166997 7.005322 -0.163340\n-0.008171 -0.008358 7.009206\nNa Sr Bi O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.750000 Na\n0.750000 0.398919 0.101080 Sr\n0.898920 0.250000 0.601081 Sr\n0.101080 0.750000 0.398920 Sr\n0.250000 0.601080 0.898920 Sr\n0.398920 0.101080 0.750000 Sr\n0.601080 0.898919 0.250000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.445515 0.793564 0.573112 O\n0.926888 0.706435 0.054485 O\n0.293564 0.945514 0.073112 O\n0.945515 0.073111 0.293565 O\n0.426888 0.554485 0.206436 O\n0.573112 0.445514 0.793565 O\n0.073112 0.293564 0.945515 O\n0.206436 0.426888 0.554486 O\n0.793565 0.573111 0.445515 O\n0.054485 0.926888 0.706436 O\n0.554486 0.206435 0.426888 O\n0.706436 0.054485 0.926889 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O-Sr",
"density": 5.703318548206379,
"density_atomic": 0.06394567845037259,
"volume": 344.0420139896383,
"volume_molar": 9.41758834363405,
"formula_full": "Na2 Sr6 Bi2 O12",
"formula_reduced": "NaSr3BiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.2124402936363634,
"spacegroup": 167
},
{
"id": "jvasp-47752",
"created_at": "2022-09-04T14:38:15.024009Z",
"updated_at": "2022-09-04T14:38:15.024040Z",
"structure_string": "Li4 Cr4 Si2 O12\n1.0\n5.069691 -0.028456 -0.000016\n-1.746546 4.759356 -0.000695\n-1.661434 -2.364242 8.390555\nLi Cr Si O\n4 4 2 12\ndirect\n0.311066 0.310671 0.621808 Li\n0.995580 0.995137 0.990985 Li\n0.745632 0.245217 0.490950 Li\n0.061023 0.560556 0.121819 Li\n0.482504 0.482167 0.964842 Cr\n0.824077 0.823748 0.647941 Cr\n0.232526 0.732194 0.464843 Cr\n0.574043 0.073710 0.147936 Cr\n0.653297 0.652950 0.306392 Si\n0.403289 0.902950 0.806388 Si\n0.274138 0.755335 0.965955 O\n0.960463 0.941670 0.465957 O\n0.615984 0.690240 0.806387 O\n0.505711 0.523837 0.465961 O\n0.190591 0.115657 0.806391 O\n0.096134 0.614267 0.646816 O\n0.364579 0.345773 0.146825 O\n0.865995 0.440245 0.306387 O\n0.691971 0.210104 0.965962 O\n0.440589 0.865652 0.306390 O\n0.782402 0.800541 0.146822 O\n0.550898 0.032103 0.646823 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.9774906891152124,
"density_atomic": 0.10889706723943204,
"volume": 202.02564272579158,
"volume_molar": 5.53012208010994,
"formula_full": "Li4 Cr4 Si2 O12",
"formula_reduced": "Li2Cr2SiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9265267636363634,
"spacegroup": 70
}
]
}