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=4105",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4103",
"results": [
{
"id": "jvasp-19010",
"created_at": "2022-09-04T14:37:07.723870Z",
"updated_at": "2022-09-04T14:37:07.723900Z",
"structure_string": "Sb8 S12\n1.0\n3.889722 0.000000 0.000000\n0.000000 11.198930 0.000000\n0.000000 0.000000 11.472696\nSb S\n8 12\ndirect\n0.750000 0.464686 0.849747 Sb\n0.250000 0.535314 0.150253 Sb\n0.250000 0.964686 0.650253 Sb\n0.750000 0.035314 0.349747 Sb\n0.250000 0.173237 0.974329 Sb\n0.750000 0.826763 0.025672 Sb\n0.750000 0.673237 0.525672 Sb\n0.250000 0.326763 0.474329 Sb\n0.750000 0.807931 0.707934 S\n0.250000 0.192069 0.292066 S\n0.750000 0.125154 0.549791 S\n0.250000 0.874846 0.450210 S\n0.250000 0.625154 0.950210 S\n0.250000 0.940666 0.124163 S\n0.750000 0.440666 0.375837 S\n0.250000 0.559334 0.624163 S\n0.750000 0.692069 0.207934 S\n0.750000 0.059334 0.875838 S\n0.750000 0.374846 0.049790 S\n0.250000 0.307931 0.792066 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 4.515056954114765,
"density_atomic": 0.04001929341726501,
"volume": 499.7589485518417,
"volume_molar": 15.048093671243942,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.83011044,
"spacegroup": 62
},
{
"id": "jvasp-21313",
"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.106941650047569,
"density_atomic": 0.07354618182073425,
"volume": 271.9379783541879,
"volume_molar": 8.188243918193765,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1150660300000004,
"spacegroup": 15
},
{
"id": "jvasp-21232",
"created_at": "2022-09-04T14:37:07.540651Z",
"updated_at": "2022-09-04T14:37:07.540674Z",
"structure_string": "Nd4 Rh4 O12\n1.0\n5.379336 0.000000 0.000000\n-0.000000 5.879534 0.000000\n0.000000 0.000000 7.815947\nNd Rh O\n4 4 12\ndirect\n0.474288 0.577652 0.750000 Nd\n0.974288 0.922347 0.250000 Nd\n0.025713 0.077653 0.750000 Nd\n0.525713 0.422347 0.250000 Nd\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.888347 0.464555 0.750000 O\n0.388347 0.035445 0.250000 O\n0.816572 0.195709 0.053238 O\n0.316571 0.304290 0.946762 O\n0.683429 0.695709 0.446762 O\n0.316571 0.304290 0.553238 O\n0.183429 0.804290 0.946762 O\n0.683429 0.695709 0.053238 O\n0.111654 0.535444 0.250000 O\n0.816572 0.195709 0.446762 O\n0.183429 0.804290 0.553238 O\n0.611654 0.964555 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Rh",
"O"
],
"chemical_system": "Nd-O-Rh",
"density": 7.930350192179835,
"density_atomic": 0.08090527009186321,
"volume": 247.2026850326458,
"volume_molar": 7.443446827582692,
"formula_full": "Nd4 Rh4 O12",
"formula_reduced": "NdRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.040235,
"spacegroup": 62
},
{
"id": "jvasp-4361",
"created_at": "2022-09-04T14:37:07.522623Z",
"updated_at": "2022-09-04T14:37:07.522646Z",
"structure_string": "As8 O12\n1.0\n0.000000 8.098974 -0.096313\n4.577261 0.000000 0.000000\n0.000000 -6.213702 -8.785930\nAs O\n8 12\ndirect\n0.559442 0.792924 0.877979 As\n0.440557 0.292924 0.622020 As\n0.440557 0.207076 0.122020 As\n0.559442 0.707075 0.377979 As\n0.917777 0.330013 0.804784 As\n0.082223 0.830013 0.695216 As\n0.082223 0.669987 0.195216 As\n0.917777 0.169987 0.304784 As\n0.042551 0.055830 0.213528 O\n0.957449 0.555830 0.286471 O\n0.407208 0.855454 0.182639 O\n0.592791 0.355454 0.317360 O\n0.592791 0.144546 0.817360 O\n0.666001 0.366234 0.627320 O\n0.333998 0.633766 0.372680 O\n0.666001 0.133766 0.127320 O\n0.042551 0.444169 0.713528 O\n0.333998 0.866233 0.872680 O\n0.407209 0.644546 0.682639 O\n0.957449 0.944169 0.786471 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"O"
],
"chemical_system": "As-O",
"density": 4.0009720819123995,
"density_atomic": 0.06089326365066472,
"volume": 328.4435551810283,
"volume_molar": 9.8896666050749,
"formula_full": "As8 O12",
"formula_reduced": "As2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.2748968,
"spacegroup": 14
},
{
"id": "jvasp-19038",
"created_at": "2022-09-04T14:37:27.185951Z",
"updated_at": "2022-09-04T14:37:27.185962Z",
"structure_string": "Sm4 Rh4 O12\n1.0\n5.315270 -0.000000 0.000000\n0.000000 5.864323 0.000000\n0.000000 0.000000 7.726622\nSm Rh O\n4 4 12\ndirect\n0.471370 0.581882 0.750000 Sm\n0.971370 0.918117 0.250000 Sm\n0.028630 0.081882 0.750000 Sm\n0.528630 0.418118 0.250000 Sm\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.878865 0.458165 0.750000 O\n0.378865 0.041835 0.250000 O\n0.820814 0.193184 0.056172 O\n0.320814 0.306816 0.943828 O\n0.679186 0.693184 0.443828 O\n0.320814 0.306816 0.556172 O\n0.179186 0.806816 0.943828 O\n0.679186 0.693184 0.056172 O\n0.121135 0.541834 0.250000 O\n0.820814 0.193184 0.443828 O\n0.179186 0.806816 0.556172 O\n0.621135 0.958165 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sm",
"density": 8.308507478039353,
"density_atomic": 0.08304186922546031,
"volume": 240.84236285312423,
"volume_molar": 7.251933050362546,
"formula_full": "Sm4 Rh4 O12",
"formula_reduced": "SmRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.009502475,
"spacegroup": 62
},
{
"id": "jvasp-34797",
"created_at": "2022-09-04T14:37:08.220105Z",
"updated_at": "2022-09-04T14:37:08.220129Z",
"structure_string": "Ga2 H8 N2 F8\n1.0\n4.954401 0.000000 -1.884499\n-0.716805 4.902273 -1.884499\n-0.008341 -0.009650 7.432950\nGa H N F\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.314384 0.591094 0.405478 H\n0.814384 0.314383 0.405478 H\n0.591095 0.091095 0.405478 H\n0.091096 0.814383 0.405478 H\n0.185617 0.685616 0.594522 H\n0.685617 0.408905 0.594521 H\n0.908905 0.185616 0.594521 H\n0.408906 0.908905 0.594521 H\n0.250001 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.681214 0.181213 -0.000000 F\n0.854659 0.854657 0.709317 F\n0.354658 0.354658 0.709317 F\n0.145342 0.145342 0.290683 F\n0.181214 0.318786 -0.000000 F\n0.818787 0.681213 -0.000000 F\n0.318787 0.818786 -0.000000 F\n0.645343 0.645342 0.290683 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ga",
"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N",
"density": 3.0154885905511346,
"density_atomic": 0.11089547608047319,
"volume": 180.35000801553582,
"volume_molar": 5.430465671683425,
"formula_full": "Ga2 H8 N2 F8",
"formula_reduced": "GaH4NF4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.5633206705000002,
"spacegroup": 140
},
{
"id": "jvasp-48641",
"created_at": "2022-09-04T14:37:08.270153Z",
"updated_at": "2022-09-04T14:37:08.270168Z",
"structure_string": "Li3 Mn5 O1 F11\n1.0\n-5.231648 0.055951 0.736701\n2.414406 4.811970 -1.672192\n1.181901 -0.320606 -9.322445\nLi Mn O F\n3 5 1 11\ndirect\n0.513215 0.532226 0.497011 Li\n0.767926 0.259581 0.256304 Li\n0.299346 0.805024 0.775598 Li\n0.441936 0.710480 0.147754 Mn\n0.986448 0.014686 -0.000221 Mn\n0.947952 0.265934 0.637680 Mn\n0.209962 0.988032 0.410901 Mn\n0.667474 0.504569 0.893120 Mn\n0.567341 0.763107 0.953135 O\n0.402313 0.512622 0.682796 F\n0.048372 0.260395 0.440960 F\n-0.004155 0.576507 0.110821 F\n0.956628 0.379039 0.847965 F\n0.447521 0.832471 0.350821 F\n0.433932 0.147699 0.052766 F\n0.031421 0.931471 0.792758 F\n0.523804 0.385271 0.310066 F\n0.913500 0.012868 0.209584 F\n0.921201 0.652888 0.542373 F\n0.498499 0.089526 0.612689 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.695468807182653,
"density_atomic": 0.0855133315969709,
"volume": 233.8816606311296,
"volume_molar": 7.042341407516064,
"formula_full": "Li3 Mn5 O1 F11",
"formula_reduced": "Li3Mn5OF11",
"formula_anonymous": "AB3C5D11",
"energy_above_hull": 1.3965186407198271,
"spacegroup": 1
},
{
"id": "jvasp-57774",
"created_at": "2022-09-04T14:37:16.090312Z",
"updated_at": "2022-09-04T14:37:16.090323Z",
"structure_string": "Ho4 Al4 O12\n1.0\n5.182717 0.000000 0.000000\n0.000000 5.363036 0.000000\n0.000000 0.000000 7.401852\nHo Al O\n4 4 12\ndirect\n0.013655 0.943342 0.750000 Ho\n0.513656 0.556659 0.250000 Ho\n0.486345 0.443342 0.750000 Ho\n0.986345 0.056659 0.250000 Ho\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.589046 0.024280 0.750000 O\n0.089046 0.475721 0.250000 O\n0.703722 0.295419 0.046736 O\n0.203722 0.204581 0.953264 O\n0.796279 0.795420 0.453264 O\n0.203722 0.204581 0.546736 O\n0.296279 0.704582 0.953264 O\n0.796279 0.795420 0.046736 O\n0.410955 0.975721 0.250000 O\n0.703722 0.295419 0.453264 O\n0.296279 0.704582 0.546736 O\n0.910955 0.524280 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Al",
"O"
],
"chemical_system": "Al-Ho-O",
"density": 7.74549077861399,
"density_atomic": 0.09721233868310758,
"volume": 205.7352006024248,
"volume_molar": 6.194831686573195,
"formula_full": "Ho4 Al4 O12",
"formula_reduced": "HoAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4694637733333336,
"spacegroup": 62
},
{
"id": "jvasp-45531",
"created_at": "2022-09-04T14:37:10.291189Z",
"updated_at": "2022-09-04T14:37:10.291203Z",
"structure_string": "Ca2 Ho2 Mn4 O12\n1.0\n5.271271 0.000000 0.000000\n0.000000 5.471409 0.000000\n0.000000 0.000000 7.500296\nCa Ho Mn O\n2 2 4 12\ndirect\n0.488504 0.697012 0.000000 Ca\n0.988503 0.302988 0.500000 Ca\n0.016563 0.184823 0.000000 Ho\n0.516563 0.815178 0.500000 Ho\n0.000635 0.745583 0.749878 Mn\n0.000635 0.745583 0.250123 Mn\n0.500635 0.254417 0.249878 Mn\n0.500635 0.254417 0.750123 Mn\n0.791747 0.039638 0.705311 O\n0.696292 0.551795 0.701140 O\n0.696292 0.551795 0.298861 O\n0.598810 0.272484 0.000000 O\n0.418784 0.223390 0.500000 O\n0.196292 0.448205 0.798861 O\n0.291747 0.960363 0.794690 O\n0.196292 0.448205 0.201140 O\n0.791747 0.039638 0.294690 O\n0.098810 0.727517 0.500000 O\n0.291747 0.960363 0.205310 O\n0.918784 0.776610 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ho",
"Mn",
"O"
],
"chemical_system": "Ca-Ho-Mn-O",
"density": 6.308150169960264,
"density_atomic": 0.09245641886231355,
"volume": 216.3181339500514,
"volume_molar": 6.513491257938722,
"formula_full": "Ca2 Ho2 Mn4 O12",
"formula_reduced": "CaHoMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5896671469425288,
"spacegroup": 31
},
{
"id": "jvasp-54993",
"created_at": "2022-09-04T14:37:15.783020Z",
"updated_at": "2022-09-04T14:37:15.783056Z",
"structure_string": "Lu4 B16\n1.0\n7.016000 0.000000 -0.000000\n0.000000 7.016000 -0.000000\n-0.000000 0.000000 3.966778\nLu B\n4 16\ndirect\n0.819916 0.319916 0.000000 Lu\n0.680084 0.819916 0.000000 Lu\n0.180084 0.680084 0.000000 Lu\n0.319916 0.180084 0.000000 Lu\n0.913361 0.586639 0.500000 B\n0.038573 0.177098 0.500000 B\n0.177098 0.961427 0.500000 B\n0.000000 0.000000 0.798005 B\n0.500000 0.500000 0.201996 B\n0.000000 0.000000 0.201996 B\n0.822902 0.038573 0.500000 B\n0.586639 0.086639 0.500000 B\n0.500000 0.500000 0.798005 B\n0.538573 0.322902 0.500000 B\n0.413361 0.913361 0.500000 B\n0.677098 0.538573 0.500000 B\n0.086639 0.413361 0.500000 B\n0.961427 0.822902 0.500000 B\n0.461427 0.677098 0.500000 B\n0.322902 0.461427 0.500000 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Lu",
"B"
],
"chemical_system": "B-Lu",
"density": 7.422815598076539,
"density_atomic": 0.10242664297993294,
"volume": 195.261695767168,
"volume_molar": 5.879467084730909,
"formula_full": "Lu4 B16",
"formula_reduced": "LuB4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.983579216666667,
"spacegroup": 127
},
{
"id": "jvasp-21327",
"created_at": "2022-09-04T14:37:07.703789Z",
"updated_at": "2022-09-04T14:37:07.703810Z",
"structure_string": "Zn4 Bi2 W2 O12\n1.0\n0.000000 5.485251 -0.100533\n5.520271 0.000000 0.000000\n0.000000 -5.114766 -8.131348\nZn Bi W O\n4 2 2 12\ndirect\n0.288443 0.988251 0.256532 Zn\n0.711556 0.488251 0.243468 Zn\n0.711556 0.011749 0.743468 Zn\n0.288443 0.511749 0.756532 Zn\n0.500000 0.000000 -0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.666402 0.133552 0.285757 O\n0.333597 0.633552 0.214243 O\n0.739853 0.633470 0.059411 O\n0.260146 0.133470 0.440589 O\n0.260145 0.366530 0.940589 O\n0.980469 0.196923 0.096061 O\n0.019530 0.803077 0.903939 O\n0.980469 0.303077 0.596061 O\n0.333597 0.866448 0.714243 O\n0.019530 0.696922 0.403939 O\n0.739853 0.866530 0.559411 O\n0.666402 0.366448 0.785757 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-O-W-Zn",
"density": 8.262610663095959,
"density_atomic": 0.08030311479509594,
"volume": 249.05634172513302,
"volume_molar": 7.499261735197061,
"formula_full": "Zn4 Bi2 W2 O12",
"formula_reduced": "Zn2BiWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2435806099999995,
"spacegroup": 14
},
{
"id": "jvasp-4364",
"created_at": "2022-09-04T14:37:07.333056Z",
"updated_at": "2022-09-04T14:37:07.333083Z",
"structure_string": "As8 O12\n1.0\n0.000000 4.545976 -0.014216\n12.898827 0.000000 0.000000\n0.000000 -4.103400 -5.372803\nAs O\n8 12\ndirect\n0.639569 0.851797 0.139525 As\n0.360433 0.351797 0.360475 As\n0.360432 0.148203 0.860475 As\n0.639569 0.648204 0.639525 As\n0.773425 0.596584 0.232434 As\n0.226577 0.096584 0.267567 As\n0.226577 0.403416 0.767566 As\n0.773424 0.903416 0.732434 As\n0.375115 0.284081 0.944985 O\n0.624886 0.784081 0.555015 O\n0.479714 0.597698 0.332720 O\n0.520287 0.097698 0.167281 O\n0.520287 0.402302 0.667280 O\n0.832763 0.138881 0.957254 O\n0.167238 0.861119 0.042746 O\n0.832763 0.361119 0.457255 O\n0.375115 0.215919 0.444985 O\n0.167238 0.638881 0.542746 O\n0.479714 0.902302 0.832720 O\n0.624886 0.715920 0.055015 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"As",
"O"
],
"chemical_system": "As-O",
"density": 4.161136789527983,
"density_atomic": 0.06333090919497093,
"volume": 315.8015612633615,
"volume_molar": 9.509007270778634,
"formula_full": "As8 O12",
"formula_reduced": "As2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.2737008,
"spacegroup": 14
}
]
}