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=-energy_above_hull&page=718",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=716",
"results": [
{
"id": "jvasp-21918",
"created_at": "2022-09-04T14:38:29.768283Z",
"updated_at": "2022-09-04T14:38:29.768312Z",
"structure_string": "Sc4 Si4 Ru2\n1.0\n3.968791 -0.000000 0.963030\n1.902950 5.033986 0.817164\n-0.003553 -0.013807 8.674148\nSc Si Ru\n4 4 2\ndirect\n0.817317 0.257615 0.107750 Sc\n0.005330 0.666495 0.322845 Sc\n0.182684 0.742385 0.892250 Sc\n0.994670 0.333505 0.677155 Sc\n0.485882 0.149423 0.878816 Si\n0.360221 0.714149 0.565409 Si\n0.514119 0.850578 0.121184 Si\n0.639780 0.285851 0.434590 Si\n0.729196 0.911359 0.630248 Ru\n0.270805 0.088641 0.369751 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ru"
],
"chemical_system": "Ru-Sc-Si",
"density": 4.735388857221117,
"density_atomic": 0.05769138664864302,
"volume": 173.33610060203353,
"volume_molar": 10.438543966149666,
"formula_full": "Sc4 Si4 Ru2",
"formula_reduced": "Sc2Si2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.23231764,
"spacegroup": 12
},
{
"id": "jvasp-116318",
"created_at": "2022-09-04T14:38:49.554310Z",
"updated_at": "2022-09-04T14:38:49.554334Z",
"structure_string": "Mg1 Mo1 N1\n1.0\n2.895747 0.000000 0.000000\n0.000000 2.895747 0.000000\n0.000000 0.000000 6.766833\nMg Mo N\n1 1 1\ndirect\n0.000000 0.000000 0.295366 Mg\n0.000000 0.000000 0.749550 Mo\n0.000000 0.000000 -0.003813 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"N"
],
"chemical_system": "Mg-Mo-N",
"density": 3.9288206382772075,
"density_atomic": 0.052870639804206754,
"volume": 56.74226775219201,
"volume_molar": 11.390330781510304,
"formula_full": "Mg1 Mo1 N1",
"formula_reduced": "MgMoN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.2322760666666666,
"spacegroup": 99
},
{
"id": "jvasp-40000",
"created_at": "2022-09-04T14:37:47.719356Z",
"updated_at": "2022-09-04T14:37:47.719386Z",
"structure_string": "Ho2 Os1 Ru1\n1.0\n0.000000 3.382586 3.382586\n3.382586 0.000000 3.382586\n3.382586 3.382586 -0.000000\nHo Os Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500001 0.500001 Ho\n0.250001 0.250001 0.250001 Os\n0.750002 0.750002 0.750002 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Os",
"Ru"
],
"chemical_system": "Ho-Os-Ru",
"density": 13.32528447610896,
"density_atomic": 0.05167535329341059,
"volume": 77.40634064537808,
"volume_molar": 11.653796977074402,
"formula_full": "Ho2 Os1 Ru1",
"formula_reduced": "Ho2OsRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.232179158333333,
"spacegroup": 225
},
{
"id": "jvasp-28589",
"created_at": "2022-09-04T14:37:32.603950Z",
"updated_at": "2022-09-04T14:37:32.603971Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.313725 0.000000 0.000000\n-1.656863 2.869745 -0.010054\n0.000000 0.095525 26.239072\nTe Mo Se S\n2 4 2 4\ndirect\n0.333858 0.667714 0.819053 Te\n0.333977 0.667952 0.672905 Te\n0.332858 0.665714 0.012774 Mo\n0.333751 0.667501 0.488960 Mo\n0.666143 0.332285 0.255186 Mo\n0.667251 0.334498 0.745996 Mo\n0.666238 0.332473 0.948814 Se\n0.666145 0.332288 0.076748 Se\n0.332775 0.665550 0.313419 S\n0.667110 0.334216 0.430745 S\n0.667063 0.334123 0.547196 S\n0.332844 0.665687 0.196950 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 6.156626023443427,
"density_atomic": 0.04809140480273438,
"volume": 249.52483815398347,
"volume_molar": 12.522280820662557,
"formula_full": "Te2 Mo4 Se2 S4",
"formula_reduced": "TeMo2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.2320204888888884,
"spacegroup": 156
},
{
"id": "jvasp-58362",
"created_at": "2022-09-04T14:36:39.261664Z",
"updated_at": "2022-09-04T14:36:39.261689Z",
"structure_string": "Nd1 Al3 B4 O12\n1.0\n5.773030 -0.003831 -1.467945\n-1.887029 5.455916 -1.467945\n-0.002730 -0.003831 5.956739\nNd Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.556147 0.443854 Al\n0.443854 0.000000 0.556146 Al\n0.556146 0.443854 -0.000001 Al\n0.058501 0.500001 0.941499 B\n0.500000 0.500001 0.499999 B\n0.941499 0.058501 0.499999 B\n0.500000 0.941500 0.058500 B\n0.774153 0.027788 0.620819 O\n0.620819 0.774154 0.027786 O\n0.027788 0.620820 0.774153 O\n0.351603 0.648398 0.499999 O\n0.648397 0.500001 0.351602 O\n0.089938 0.910063 0.499999 O\n0.500000 0.089938 0.910062 O\n0.910062 0.500001 0.089937 O\n0.972213 0.225848 0.379180 O\n0.379181 0.972213 0.225846 O\n0.225847 0.379181 0.972212 O\n0.500000 0.351604 0.648396 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Nd-O",
"density": 4.07733646067368,
"density_atomic": 0.10665962354620344,
"volume": 187.51238130271744,
"volume_molar": 5.646129772238784,
"formula_full": "Nd1 Al3 B4 O12",
"formula_reduced": "NdAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.2317641116666667,
"spacegroup": 155
},
{
"id": "jvasp-22963",
"created_at": "2022-09-04T14:38:07.270273Z",
"updated_at": "2022-09-04T14:38:07.270296Z",
"structure_string": "Sr4 Ta8 O24\n1.0\n5.649791 -0.000000 0.000000\n-0.000000 7.682876 0.000000\n0.000000 0.000000 11.119371\nSr Ta O\n4 8 24\ndirect\n0.961594 0.750000 0.460697 Sr\n0.461594 0.250000 0.039303 Sr\n0.038406 0.250000 0.539303 Sr\n0.538406 0.750000 0.960697 Sr\n0.463514 0.004329 0.357385 Ta\n0.036485 0.495672 0.857385 Ta\n0.536485 0.504329 0.642615 Ta\n0.963514 0.995672 0.142615 Ta\n0.536485 0.995672 0.642615 Ta\n0.963514 0.504329 0.142615 Ta\n0.463514 0.495672 0.357385 Ta\n0.036485 0.004329 0.857385 Ta\n0.638991 0.449333 0.212839 O\n0.281306 0.535145 0.524524 O\n0.781306 0.464855 0.975476 O\n0.138991 0.949334 0.287161 O\n0.638991 0.050667 0.212839 O\n0.861009 0.449333 0.712839 O\n0.361009 0.550667 0.787161 O\n0.861009 0.050667 0.712839 O\n0.361009 0.949334 0.787161 O\n0.138991 0.550667 0.287161 O\n0.218694 0.535145 0.024524 O\n0.467111 0.250000 0.646661 O\n0.781306 0.035145 0.975476 O\n0.281306 0.964855 0.524524 O\n0.532888 0.750000 0.353339 O\n0.032889 0.250000 0.146661 O\n0.218694 0.964855 0.024524 O\n0.967111 0.750000 0.853339 O\n0.357801 0.250000 0.370565 O\n0.857801 0.750000 0.129435 O\n0.642199 0.750000 0.629435 O\n0.142199 0.250000 0.870565 O\n0.718694 0.464855 0.475476 O\n0.718694 0.035145 0.475476 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 7.507184641235108,
"density_atomic": 0.0745875039207305,
"volume": 482.6545749306718,
"volume_molar": 8.073927190806868,
"formula_full": "Sr4 Ta8 O24",
"formula_reduced": "SrTa2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2311528566666667,
"spacegroup": 62
},
{
"id": "jvasp-30282",
"created_at": "2022-09-04T14:37:07.561833Z",
"updated_at": "2022-09-04T14:37:07.561858Z",
"structure_string": "Ti1 Co3 O8\n1.0\n4.663688 1.376979 -2.506509\n1.617923 -5.479743 -0.000000\n1.617923 -2.501020 -4.875702\nTi Co O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.220602 0.246693 0.026092 O\n0.220602 0.246693 0.506612 O\n0.220602 0.727213 0.026092 O\n0.212138 0.737380 0.525241 O\n0.787861 0.262619 0.474758 O\n0.779398 0.272786 0.973908 O\n0.779398 0.753306 0.493388 O\n0.779398 0.753306 0.973908 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 4.7461861076701535,
"density_atomic": 0.0972564719143252,
"volume": 123.38510500947427,
"volume_molar": 6.19202058378696,
"formula_full": "Ti1 Co3 O8",
"formula_reduced": "TiCo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.231075752777778,
"spacegroup": 166
},
{
"id": "jvasp-55303",
"created_at": "2022-09-04T14:38:10.206187Z",
"updated_at": "2022-09-04T14:38:10.206207Z",
"structure_string": "Mn6 Te2 O12\n1.0\n6.270241 0.012496 -0.059940\n-0.060635 6.269959 -0.059940\n0.012352 0.012496 6.270515\nMn Te O\n6 2 12\ndirect\n0.440452 0.952042 0.252152 Mn\n0.747848 0.559549 0.047958 Mn\n0.047959 0.747849 0.559548 Mn\n0.559549 0.047959 0.747848 Mn\n0.952042 0.252153 0.440451 Mn\n0.252152 0.440452 0.952041 Mn\n0.000000 0.000000 0.000000 Te\n0.500000 0.500001 0.500000 Te\n0.565322 0.429099 0.799084 O\n0.570902 0.200916 0.434678 O\n0.911399 0.045080 0.700520 O\n0.799085 0.565322 0.429098 O\n0.429099 0.799085 0.565321 O\n0.299479 0.088602 0.954920 O\n0.954921 0.299480 0.088601 O\n0.088602 0.954921 0.299479 O\n0.700521 0.911400 0.045079 O\n0.045079 0.700521 0.911398 O\n0.434679 0.570902 0.200915 O\n0.200915 0.434679 0.570901 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Te",
"O"
],
"chemical_system": "Mn-O-Te",
"density": 5.2323051420125,
"density_atomic": 0.08112467411667951,
"volume": 246.5341182293629,
"volume_molar": 7.423315810598527,
"formula_full": "Mn6 Te2 O12",
"formula_reduced": "Mn3TeO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.23049004908046,
"spacegroup": 148
},
{
"id": "jvasp-71395",
"created_at": "2022-09-04T14:35:46.181903Z",
"updated_at": "2022-09-04T14:35:46.181928Z",
"structure_string": "Be2 Cr1 Ir1\n1.0\n2.749486 0.000000 -0.000000\n0.000000 2.749486 -0.000000\n-0.000000 0.000000 5.662259\nBe Cr Ir\n2 1 1\ndirect\n0.000000 0.000000 0.732428 Be\n0.000000 0.000000 0.267572 Be\n0.500001 0.500001 0.000000 Cr\n0.500001 0.500001 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Ir"
],
"chemical_system": "Be-Cr-Ir",
"density": 10.173047627466595,
"density_atomic": 0.0934474027585307,
"volume": 42.804827977253176,
"volume_molar": 6.444417482165118,
"formula_full": "Be2 Cr1 Ir1",
"formula_reduced": "Be2CrIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.230435175,
"spacegroup": 123
},
{
"id": "jvasp-11422",
"created_at": "2022-09-04T14:37:07.035376Z",
"updated_at": "2022-09-04T14:37:07.035403Z",
"structure_string": "Tl2 Te6 Mo6\n1.0\n4.815154 -8.340091 -0.000000\n4.815153 8.340091 0.000000\n0.000000 -0.000000 4.609511\nTl Te Mo\n2 6 6\ndirect\n0.666667 0.333333 0.250000 Tl\n0.333333 0.666667 0.750000 Tl\n0.632245 0.692630 0.250000 Te\n0.939614 0.632244 0.750000 Te\n0.692630 0.060385 0.750000 Te\n0.307369 0.939614 0.250000 Te\n0.060385 0.367755 0.250000 Te\n0.367755 0.307370 0.750000 Te\n0.856931 0.028081 0.250000 Mo\n0.828849 0.856930 0.750000 Mo\n0.028082 0.171151 0.750000 Mo\n0.971918 0.828849 0.250000 Mo\n0.171151 0.143069 0.250000 Mo\n0.143069 0.971918 0.750000 Mo\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Mo"
],
"chemical_system": "Mo-Te-Tl",
"density": 7.849156837973115,
"density_atomic": 0.03781483925757534,
"volume": 370.22503003752473,
"volume_molar": 15.925337455437157,
"formula_full": "Tl2 Te6 Mo6",
"formula_reduced": "Tl(TeMo)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.2304276571428567,
"spacegroup": 176
},
{
"id": "jvasp-114690",
"created_at": "2022-09-04T14:38:41.722123Z",
"updated_at": "2022-09-04T14:38:41.722150Z",
"structure_string": "Sn1 H1 C1\n1.0\n3.918983 0.000000 -0.000000\n-1.959491 3.393938 0.000000\n-0.000000 0.000000 3.010275\nSn H C\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sn\n0.333334 0.666667 0.000000 H\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"H",
"C"
],
"chemical_system": "C-H-Sn",
"density": 5.46318427556098,
"density_atomic": 0.07492690591039979,
"volume": 40.03902154437693,
"volume_molar": 8.037354121097014,
"formula_full": "Sn1 H1 C1",
"formula_reduced": "SnHC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.230397233333333,
"spacegroup": 187
},
{
"id": "jvasp-74677",
"created_at": "2022-09-04T14:36:08.707112Z",
"updated_at": "2022-09-04T14:36:08.707140Z",
"structure_string": "Be2 Si1 Mo1\n1.0\n3.171262 0.000000 0.000000\n-0.000000 3.171262 0.000000\n-0.000000 0.000000 4.848476\nBe Si Mo\n2 1 1\ndirect\n0.000000 0.000000 0.768985 Be\n0.000000 0.000000 0.231016 Be\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Mo"
],
"chemical_system": "Be-Mo-Si",
"density": 4.837493810396372,
"density_atomic": 0.08203335882645582,
"volume": 48.76065124265029,
"volume_molar": 7.341087633312724,
"formula_full": "Be2 Si1 Mo1",
"formula_reduced": "Be2SiMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.230369175,
"spacegroup": 123
}
]
}