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=-nelements&page=576",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=574",
"results": [
{
"id": "jvasp-91417",
"created_at": "2022-09-04T14:35:41.783386Z",
"updated_at": "2022-09-04T14:35:41.783409Z",
"structure_string": "Ba2 Nd1 Ru1 O6\n1.0\n5.240726 -0.000000 3.025734\n1.746904 4.941111 3.025742\n0.000019 0.000022 6.051436\nBa Nd Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250001 0.250000 0.249999 Ba\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ru\n0.729698 0.270302 0.729698 O\n0.270303 0.270302 0.729698 O\n0.270302 0.729697 0.729698 O\n0.729697 0.270303 0.270302 O\n0.729697 0.729697 0.270302 O\n0.270302 0.729697 0.270303 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ru",
"O"
],
"chemical_system": "Ba-Nd-O-Ru",
"density": 6.527249637876754,
"density_atomic": 0.06381560970042466,
"volume": 156.7014723661483,
"volume_molar": 9.436783238881953,
"formula_full": "Ba2 Nd1 Ru1 O6",
"formula_reduced": "Ba2NdRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.148920494,
"spacegroup": 225
},
{
"id": "jvasp-98473",
"created_at": "2022-09-04T14:35:44.702762Z",
"updated_at": "2022-09-04T14:35:44.702787Z",
"structure_string": "Ba2 Co2 P4 O14\n1.0\n5.337110 0.079890 -0.132058\n-0.614607 7.115121 -1.501083\n-0.099164 -0.128155 7.620346\nBa Co P O\n2 2 4 14\ndirect\n0.795589 0.227201 0.071631 Ba\n0.204412 0.772798 0.928371 Ba\n0.202170 0.613344 0.395396 Co\n0.797829 0.386655 0.604606 Co\n0.707828 0.814319 0.598215 P\n0.292171 0.185680 0.401785 P\n0.294858 0.269354 0.788439 P\n0.705141 0.730646 0.211561 P\n0.461894 0.603526 0.201916 O\n0.295888 0.152479 0.930423 O\n0.704113 0.847520 0.069578 O\n0.564903 0.267842 0.396735 O\n0.060222 0.384706 0.800692 O\n0.270949 0.123341 0.592805 O\n0.729052 0.876659 0.407196 O\n0.892836 0.654077 0.589067 O\n0.107163 0.345922 0.410933 O\n0.211381 0.017070 0.255097 O\n0.788620 0.982928 0.744903 O\n0.435098 0.732158 0.603265 O\n0.939779 0.615293 0.199309 O\n0.538105 0.396473 0.798085 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Co",
"P",
"O"
],
"chemical_system": "Ba-Co-O-P",
"density": 4.259659346569766,
"density_atomic": 0.07622157422526658,
"volume": 288.6321913921748,
"volume_molar": 7.9008349292315305,
"formula_full": "Ba2 Co2 P4 O14",
"formula_reduced": "BaCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.630716579090909,
"spacegroup": 2
},
{
"id": "jvasp-86704",
"created_at": "2022-09-04T14:35:42.101491Z",
"updated_at": "2022-09-04T14:35:42.101512Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412808845815018,
"density_atomic": 0.06396027624969913,
"volume": 234.5205630669952,
"volume_molar": 9.415438946026017,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627496633333333,
"spacegroup": 162
},
{
"id": "jvasp-97499",
"created_at": "2022-09-04T14:35:41.682083Z",
"updated_at": "2022-09-04T14:35:41.682111Z",
"structure_string": "K8 Mn2 Mo8 O30\n1.0\n10.373256 -0.000000 -0.000000\n-5.186628 8.983503 -0.000000\n-0.000000 -0.000000 8.066690\nK Mn Mo O\n8 2 8 30\ndirect\n0.912384 0.611498 0.133952 K\n0.388501 0.300886 0.133952 K\n0.087616 0.388501 0.866048 K\n0.611499 0.699114 0.866048 K\n0.000000 0.000000 0.000000 K\n0.300885 0.912384 0.866048 K\n0.699115 0.087616 0.133952 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.458005 Mn\n0.333333 0.666667 0.541995 Mn\n0.983977 0.659860 0.638907 Mo\n0.324116 0.983976 0.361094 Mo\n0.666667 0.333333 0.856789 Mo\n0.340140 0.324116 0.638907 Mo\n0.333333 0.666667 0.143211 Mo\n0.675884 0.016024 0.638907 Mo\n0.016023 0.340139 0.361094 Mo\n0.659861 0.675884 0.361094 Mo\n0.364087 0.507511 0.665058 O\n0.635913 0.492488 0.334942 O\n0.007904 0.269350 0.559593 O\n0.208942 0.991218 0.204430 O\n0.143424 0.635912 0.665058 O\n0.261445 0.992095 0.559593 O\n0.791058 0.008782 0.795570 O\n0.825503 0.346370 0.950044 O\n0.519501 0.331807 0.655477 O\n0.738555 0.007904 0.440407 O\n0.730650 0.738554 0.559593 O\n0.174497 0.653630 0.049956 O\n0.008781 0.217724 0.204430 O\n0.346370 0.520867 0.049956 O\n0.269350 0.261446 0.440407 O\n0.856576 0.364087 0.334942 O\n0.480499 0.668193 0.344523 O\n0.992096 0.730650 0.440407 O\n0.812307 0.480499 0.655477 O\n0.507512 0.143424 0.334942 O\n0.782276 0.791057 0.204430 O\n0.492488 0.856576 0.665058 O\n0.331807 0.812306 0.344523 O\n0.187693 0.519500 0.344523 O\n0.668193 0.187694 0.655477 O\n0.520867 0.174497 0.950044 O\n0.217724 0.208943 0.795570 O\n0.479133 0.825502 0.049956 O\n0.653630 0.479133 0.950044 O\n0.991219 0.782276 0.795570 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Mn",
"Mo",
"O"
],
"chemical_system": "K-Mn-Mo-O",
"density": 3.6893695807973867,
"density_atomic": 0.06385355139883857,
"volume": 751.7201306499777,
"volume_molar": 9.43117591437449,
"formula_full": "K8 Mn2 Mo8 O30",
"formula_reduced": "K4MnMo4O15",
"formula_anonymous": "AB4C4D15",
"energy_above_hull": 3.129403972557471,
"spacegroup": 147
},
{
"id": "jvasp-61797",
"created_at": "2022-09-04T14:35:41.687354Z",
"updated_at": "2022-09-04T14:35:41.687383Z",
"structure_string": "H24 Au2 C8 N2\n1.0\n7.591195 0.000000 0.000000\n0.000000 7.591195 0.000000\n0.000000 -0.000000 5.438455\nH Au C N\n24 2 8 2\ndirect\n0.842467 0.119124 0.724672 H\n0.000000 0.278043 0.040889 H\n0.000000 0.721956 0.040889 H\n0.778043 0.500000 0.040889 H\n0.221956 0.500000 0.040889 H\n0.500000 0.221956 0.959112 H\n0.500000 0.778043 0.959112 H\n0.721956 0.000000 0.959112 H\n0.619124 0.342467 0.724672 H\n0.380875 0.657532 0.724672 H\n0.842467 0.880875 0.724672 H\n0.157532 0.119124 0.724672 H\n0.278043 0.000000 0.959112 H\n0.880875 0.842467 0.275329 H\n0.342467 0.619124 0.275329 H\n0.657532 0.380875 0.275329 H\n0.880875 0.157532 0.275329 H\n0.119124 0.842467 0.275329 H\n0.657532 0.619124 0.275329 H\n0.342467 0.380875 0.275329 H\n0.380875 0.342467 0.724672 H\n0.619124 0.657532 0.724672 H\n0.157532 0.880875 0.724672 H\n0.119124 0.157532 0.275329 H\n0.000000 0.500000 0.643794 Au\n0.500000 0.000000 0.356207 Au\n0.839023 0.000000 0.839278 C\n0.160976 0.000000 0.839278 C\n0.500000 0.660976 0.839278 C\n0.500000 0.339024 0.839278 C\n0.339024 0.500000 0.160723 C\n0.660976 0.500000 0.160723 C\n0.000000 0.839023 0.160723 C\n0.000000 0.160976 0.160723 C\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-H-N",
"density": 2.8729691105994988,
"density_atomic": 0.11487001195384908,
"volume": 313.3977213692952,
"volume_molar": 5.242569977636544,
"formula_full": "H24 Au2 C8 N2",
"formula_reduced": "H12AuC4N",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 4.228913934444445,
"spacegroup": 129
},
{
"id": "jvasp-95938",
"created_at": "2022-09-04T14:35:42.119437Z",
"updated_at": "2022-09-04T14:35:42.119465Z",
"structure_string": "Sr6 Mg2 Pt2 O12\n1.0\n6.716036 0.007834 -0.260179\n-0.270756 6.710580 -0.260179\n0.007515 0.007834 6.721069\nSr Mg Pt O\n6 2 2 12\ndirect\n0.884043 0.249999 0.615958 Sr\n0.384043 0.115957 0.750000 Sr\n0.750000 0.384042 0.115958 Sr\n0.115958 0.750000 0.384042 Sr\n0.615958 0.884042 0.250000 Sr\n0.250000 0.615957 0.884042 Sr\n0.750001 0.749999 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.499999 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.094989 0.289463 0.964754 O\n0.789464 0.594988 0.464753 O\n0.535247 0.210536 0.405011 O\n0.405011 0.535246 0.210536 O\n0.210536 0.405011 0.535246 O\n0.710537 0.035246 0.905011 O\n0.905011 0.710536 0.035246 O\n0.035246 0.905011 0.710536 O\n0.464754 0.789463 0.594989 O\n0.594989 0.464753 0.789464 O\n0.964754 0.094988 0.289464 O\n0.289464 0.964753 0.094989 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Pt",
"O"
],
"chemical_system": "Mg-O-Pt-Sr",
"density": 6.3389920768076164,
"density_atomic": 0.07261922504507197,
"volume": 302.95007949128404,
"volume_molar": 8.292763736135008,
"formula_full": "Sr6 Mg2 Pt2 O12",
"formula_reduced": "Sr3MgPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3711436709090907,
"spacegroup": 167
},
{
"id": "jvasp-48971",
"created_at": "2022-09-04T14:35:41.427923Z",
"updated_at": "2022-09-04T14:35:41.427947Z",
"structure_string": "Li4 Mn1 O2 F3\n1.0\n3.879225 0.003388 0.000560\n1.935556 4.645786 0.032704\n1.938572 0.260521 4.857501\nLi Mn O F\n4 1 2 3\ndirect\n0.190593 0.200438 0.413669 Li\n0.606656 0.601625 0.180368 Li\n0.416931 0.387088 0.774359 Li\n0.801178 0.771246 0.621704 Li\n0.986007 0.030288 0.993008 Mn\n0.496507 0.996758 0.005545 O\n0.901439 0.380261 0.812161 O\n0.687369 0.213912 0.406644 F\n0.074158 0.632258 0.214733 F\n0.301127 0.795068 0.597975 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.2593952428894006,
"density_atomic": 0.11432142105807926,
"volume": 87.4726705410673,
"volume_molar": 5.2677273465141266,
"formula_full": "Li4 Mn1 O2 F3",
"formula_reduced": "Li4MnO2F3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.1049075088879308,
"spacegroup": 8
},
{
"id": "jvasp-105668",
"created_at": "2022-09-04T14:35:42.695671Z",
"updated_at": "2022-09-04T14:35:42.695694Z",
"structure_string": "Rb2 Cu1 Sb1 Cl6\n1.0\n6.312934 -0.000000 3.644774\n2.104312 5.951891 3.644774\n-0.000000 -0.000000 7.289548\nRb Cu Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741346 0.258654 0.258654 Cl\n0.258654 0.258654 0.741346 Cl\n0.258653 0.741346 0.741346 Cl\n0.258653 0.741346 0.258653 Cl\n0.741346 0.258654 0.741346 Cl\n0.741346 0.741346 0.258653 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cu-Rb-Sb",
"density": 3.4494011910142963,
"density_atomic": 0.03651011340203833,
"volume": 273.8967115736679,
"volume_molar": 16.494445507977492,
"formula_full": "Rb2 Cu1 Sb1 Cl6",
"formula_reduced": "Rb2CuSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97533",
"created_at": "2022-09-04T14:35:45.559860Z",
"updated_at": "2022-09-04T14:35:45.559880Z",
"structure_string": "H6 Se3 N3 O12\n1.0\n9.871247 0.212844 3.864074\n-1.033037 3.948414 -0.000000\n-9.871247 -0.212844 3.864074\nH Se N O\n6 3 3 12\ndirect\n0.035286 0.626025 0.227861 H\n0.227861 0.373975 0.035286 H\n0.544320 0.435342 -0.093915 H\n-0.093916 0.564657 0.544320 H\n0.226787 0.641271 -0.207137 H\n-0.207137 0.358728 0.226787 H\n0.213006 0.000000 0.213006 Se\n0.261383 0.260738 0.600580 Se\n0.600580 0.739261 0.261384 Se\n0.098476 0.735058 0.705424 N\n0.751441 0.000000 0.751441 N\n0.705424 0.264941 0.098476 N\n0.101895 0.526622 0.431347 O\n0.008994 0.736338 0.115565 O\n0.115565 0.263661 0.008994 O\n0.275717 0.191149 0.374587 O\n0.374587 0.808850 0.275717 O\n0.418313 0.540384 0.778016 O\n0.778016 0.459615 0.418313 O\n0.105582 0.058814 0.653013 O\n0.653013 -0.058814 0.105582 O\n0.734234 0.875262 0.645017 O\n0.645017 0.124737 0.734234 O\n0.431347 0.473377 0.101895 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"Se",
"N",
"O"
],
"chemical_system": "H-N-O-Se",
"density": 2.6145688579897963,
"density_atomic": 0.07923152028117338,
"volume": 302.9097499938136,
"volume_molar": 7.600688133496477,
"formula_full": "H6 Se3 N3 O12",
"formula_reduced": "H2SeNO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 3.0617900770833333,
"spacegroup": 5
},
{
"id": "jvasp-98779",
"created_at": "2022-09-04T14:35:45.899290Z",
"updated_at": "2022-09-04T14:35:45.899315Z",
"structure_string": "Bi2 S8 N6 Cl8\n1.0\n7.388614 0.089729 0.455934\n2.073790 8.429700 3.595872\n0.084904 0.063123 9.254735\nBi S N Cl\n2 8 6 8\ndirect\n0.746671 0.038721 0.880703 Bi\n0.253328 0.961279 0.119297 Bi\n0.255591 0.467048 0.085442 S\n0.529348 0.345017 0.350050 S\n0.808302 0.715090 0.456267 S\n0.744408 0.532952 0.914558 S\n-0.006970 0.372305 0.351144 S\n0.191697 0.284909 0.543733 S\n0.006970 0.627695 0.648857 S\n0.470651 0.654982 0.649950 S\n0.082376 0.435456 0.186130 N\n0.449943 0.419992 0.174479 N\n0.610259 0.698274 0.517463 N\n0.917623 0.564544 0.813870 N\n0.550056 0.580008 0.825522 N\n0.389740 0.301725 0.482537 N\n0.655347 0.950692 0.673399 Cl\n0.108965 0.882752 0.873588 Cl\n0.622878 0.781293 0.114783 Cl\n0.344651 0.049307 0.326601 Cl\n0.377121 0.218707 0.885217 Cl\n0.891034 0.117248 0.126412 Cl\n0.198972 0.691359 0.337308 Cl\n0.801027 0.308640 0.662692 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Bi",
"S",
"N",
"Cl"
],
"chemical_system": "Bi-Cl-N-S",
"density": 3.02126049847103,
"density_atomic": 0.04190078578479868,
"volume": 572.7816209286232,
"volume_molar": 14.372381441554712,
"formula_full": "Bi2 S8 N6 Cl8",
"formula_reduced": "BiS4N3Cl4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 2.46145086,
"spacegroup": 2
},
{
"id": "jvasp-88729",
"created_at": "2022-09-04T14:35:45.809659Z",
"updated_at": "2022-09-04T14:35:45.809683Z",
"structure_string": "Ca2 H16 Cl4 O8\n1.0\n6.549103 -0.004429 -0.405882\n-2.279458 5.801389 -0.759527\n-0.017837 0.115704 8.311837\nCa H Cl O\n2 16 4 8\ndirect\n0.881626 0.004039 0.744583 Ca\n0.118372 0.995961 0.255417 Ca\n0.204282 0.754530 0.533171 H\n0.795716 0.245469 0.466829 H\n0.391632 0.761743 0.418199 H\n0.554393 0.242319 0.169737 H\n0.445605 0.757681 0.830263 H\n0.549856 0.408353 0.324359 H\n0.450142 0.591647 0.675641 H\n0.608367 0.238256 0.581801 H\n0.096089 0.684197 0.818929 H\n0.081177 0.460426 0.331652 H\n0.918821 0.539573 0.668348 H\n0.788809 0.647198 -0.001444 H\n0.211191 0.352802 0.001443 H\n0.672773 0.810383 0.067122 H\n0.327226 0.189616 0.932878 H\n0.903909 0.315803 0.181071 H\n0.738348 0.764965 0.407003 Cl\n0.261651 0.235034 0.592997 Cl\n0.291635 0.718513 0.048317 Cl\n0.708364 0.281487 0.951683 Cl\n0.765795 0.260109 0.582196 O\n0.186012 0.187243 0.969456 O\n0.813986 0.812757 0.030544 O\n0.019239 0.698837 0.716553 O\n0.980759 0.301162 0.283447 O\n0.514848 0.754164 0.728269 O\n0.485151 0.245835 0.271731 O\n0.234204 0.739890 0.417804 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 1.9215939871970127,
"density_atomic": 0.09482997535090627,
"volume": 316.3556659061527,
"volume_molar": 6.3504611677012806,
"formula_full": "Ca2 H16 Cl4 O8",
"formula_reduced": "CaH8(ClO2)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.394372837,
"spacegroup": 2
},
{
"id": "jvasp-86570",
"created_at": "2022-09-04T14:35:45.891264Z",
"updated_at": "2022-09-04T14:35:45.891291Z",
"structure_string": "Re2 Pb2 Cl2 O8\n1.0\n4.445117 0.000000 0.000000\n0.000000 5.753711 0.000000\n0.000000 0.000000 9.457348\nRe Pb Cl O\n2 2 2 8\ndirect\n0.245854 0.000000 0.129959 Re\n0.745854 0.500000 0.870041 Re\n0.710754 0.500000 0.324199 Pb\n0.210753 0.000000 0.675802 Pb\n0.666772 0.000000 0.460672 Cl\n0.166772 0.500000 0.539328 Cl\n0.639969 0.245323 0.778082 O\n0.139969 0.745323 0.221918 O\n0.628864 0.500000 0.047444 O\n0.637131 0.000000 0.127576 O\n0.639969 0.754676 0.778082 O\n0.139969 0.254676 0.221918 O\n0.128864 0.000000 0.952556 O\n0.137131 0.500000 0.872424 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Re",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Re",
"density": 6.767058647277516,
"density_atomic": 0.05787985374155625,
"volume": 241.880362423037,
"volume_molar": 10.404554211366738,
"formula_full": "Re2 Pb2 Cl2 O8",
"formula_reduced": "RePbClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.530746698214286,
"spacegroup": 31
}
]
}