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=650",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=648",
"results": [
{
"id": "jvasp-49301",
"created_at": "2022-09-04T14:38:36.103842Z",
"updated_at": "2022-09-04T14:38:36.103862Z",
"structure_string": "Rh8 S12\n1.0\n6.045458 0.000000 0.000000\n0.000000 6.191825 0.000000\n0.000000 0.000000 8.556326\nRh S\n8 12\ndirect\n0.751425 0.032411 0.392995 Rh\n0.751425 0.467589 0.607006 Rh\n0.748575 0.532412 0.107006 Rh\n0.748575 0.967589 0.892995 Rh\n0.248575 0.967589 0.607006 Rh\n0.248575 0.532412 0.392995 Rh\n0.251425 0.467589 0.892995 Rh\n0.251425 0.032411 0.107006 Rh\n0.390663 0.106435 0.848420 S\n0.390663 0.393565 0.151581 S\n0.609337 0.606436 0.848420 S\n0.609337 0.893566 0.151581 S\n0.890664 0.106435 0.651581 S\n0.047629 0.750001 0.000000 S\n0.952371 0.250000 0.000000 S\n0.547630 0.750001 0.500000 S\n0.109337 0.893566 0.348420 S\n0.452371 0.250000 0.500000 S\n0.890664 0.393565 0.348420 S\n0.109337 0.606436 0.651581 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Rh",
"S"
],
"chemical_system": "Rh-S",
"density": 6.263101577631011,
"density_atomic": 0.06244458604747308,
"volume": 320.2839712124144,
"volume_molar": 9.643975789064738,
"formula_full": "Rh8 S12",
"formula_reduced": "Rh2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.3329212000000004,
"spacegroup": 60
},
{
"id": "jvasp-117117",
"created_at": "2022-09-04T14:38:48.181272Z",
"updated_at": "2022-09-04T14:38:48.181303Z",
"structure_string": "Er7 Co1 I12\n1.0\n9.102943 -0.006092 -2.758172\n-3.716111 8.309881 -2.758172\n-0.003952 -0.006092 9.511627\nEr Co I\n7 1 12\ndirect\n0.500000 0.500000 0.500000 Er\n0.289642 0.092381 0.023404 Er\n0.023404 0.289642 0.092381 Er\n0.092381 0.023404 0.289642 Er\n0.710358 0.907619 0.976597 Er\n0.976596 0.710359 0.907620 Er\n0.907619 0.976597 0.710359 Er\n0.000000 0.000000 0.000000 Co\n0.675825 0.230704 0.072570 I\n0.769296 0.927430 0.324176 I\n0.927430 0.324175 0.769297 I\n0.324175 0.769296 0.927431 I\n0.842290 0.609722 0.530202 I\n0.390278 0.469798 0.157710 I\n0.530202 0.842290 0.609722 I\n0.157710 0.390278 0.469798 I\n0.072570 0.675825 0.230704 I\n0.469798 0.157710 0.390279 I\n0.609722 0.530202 0.842291 I\n0.230704 0.072570 0.675825 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Co",
"I"
],
"chemical_system": "Co-Er-I",
"density": 6.357341698043365,
"density_atomic": 0.027817197466528932,
"volume": 718.9796895990338,
"volume_molar": 21.648984471732447,
"formula_full": "Er7 Co1 I12",
"formula_reduced": "Er7CoI12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 0.5057193100000001,
"spacegroup": 148
},
{
"id": "jvasp-113246",
"created_at": "2022-09-04T14:38:46.819286Z",
"updated_at": "2022-09-04T14:38:46.819314Z",
"structure_string": "Li3 Co5 O1 F11\n1.0\n4.932387 0.039481 1.418767\n-2.827614 4.813586 0.502972\n0.039514 0.235030 8.909783\nLi Co O F\n3 5 1 11\ndirect\n0.161313 0.373712 0.058028 Li\n0.144496 0.859416 0.582046 Li\n0.859062 0.641239 0.930035 Li\n0.358876 0.872613 0.162495 Co\n0.335560 0.358660 0.658604 Co\n0.626055 0.613235 0.339809 Co\n0.653121 0.136376 0.838520 Co\n0.876499 0.127622 0.424091 Co\n0.239613 0.288853 0.469552 O\n0.558007 0.112946 0.629044 F\n0.426174 0.362974 0.867516 F\n0.766502 0.720546 0.534202 F\n0.756509 0.238416 0.037518 F\n0.053436 0.026763 0.210740 F\n0.557568 0.624574 0.123487 F\n0.449637 0.893710 0.375262 F\n0.050761 0.527695 0.724037 F\n0.947120 0.482908 0.281192 F\n0.247660 0.772870 0.965762 F\n0.932042 0.964876 0.788055 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.258675973340783,
"density_atomic": 0.09490372352231442,
"volume": 210.73988730587016,
"volume_molar": 6.345526325512436,
"formula_full": "Li3 Co5 O1 F11",
"formula_reduced": "Li3Co5OF11",
"formula_anonymous": "AB3C5D11",
"energy_above_hull": 1.1154205553749998,
"spacegroup": 1
},
{
"id": "jvasp-119151",
"created_at": "2022-09-04T14:38:35.649070Z",
"updated_at": "2022-09-04T14:38:35.649087Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"Se",
"S"
],
"chemical_system": "S-Sb-Se",
"density": 5.165024298832726,
"density_atomic": 0.037927002148649934,
"volume": 527.3287860087811,
"volume_molar": 15.878240880723991,
"formula_full": "Sb8 Se6 S6",
"formula_reduced": "Sb4(SeS)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.92199645,
"spacegroup": 26
},
{
"id": "jvasp-119170",
"created_at": "2022-09-04T14:38:36.144901Z",
"updated_at": "2022-09-04T14:38:36.144927Z",
"structure_string": "Mg1 Cd3 C4 O12\n1.0\n4.765047 -0.012372 9.910251\n2.248938 4.200965 9.910251\n-0.020718 -0.012372 10.996287\nMg Cd C O\n1 3 4 12\ndirect\n0.500000 0.500001 0.499999 Mg\n0.000000 0.000000 0.000000 Cd\n0.754735 0.754736 0.754734 Cd\n0.245265 0.245266 0.245265 Cd\n0.870833 0.870835 0.870832 C\n0.376725 0.376726 0.376725 C\n0.129167 0.129167 0.129167 C\n0.623274 0.623276 0.623273 C\n0.361464 0.889887 0.618532 O\n0.848528 0.374301 0.164101 O\n0.889886 0.618535 0.361463 O\n0.374300 0.164103 0.848527 O\n0.638536 0.110115 0.381466 O\n0.381467 0.638537 0.110113 O\n0.110114 0.381468 0.638535 O\n0.625700 0.835899 0.151471 O\n0.164102 0.848529 0.374300 O\n0.835898 0.151473 0.625699 O\n0.151472 0.625701 0.835897 O\n0.618533 0.361466 0.889885 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Cd",
"C",
"O"
],
"chemical_system": "C-Cd-Mg-O",
"density": 4.5078163095018065,
"density_atomic": 0.09025231275250419,
"volume": 221.6009694382604,
"volume_molar": 6.672561152548311,
"formula_full": "Mg1 Cd3 C4 O12",
"formula_reduced": "MgCd3(CO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.858323515,
"spacegroup": 148
},
{
"id": "jvasp-19361",
"created_at": "2022-09-04T14:38:35.655187Z",
"updated_at": "2022-09-04T14:38:35.655201Z",
"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Sn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sn-Zn",
"density": 6.576942210068109,
"density_atomic": 0.08476052650827433,
"volume": 235.95889294113337,
"volume_molar": 7.104888334326378,
"formula_full": "Zn4 Sn2 Sb2 O12",
"formula_reduced": "Zn2SnSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.44668396,
"spacegroup": 11
},
{
"id": "jvasp-117123",
"created_at": "2022-09-04T14:38:48.222838Z",
"updated_at": "2022-09-04T14:38:48.222866Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.880388 0.033331 -0.661065\n-1.873085 5.242385 -1.364040\n0.034026 0.002561 6.385034\nLi Mn Co O\n6 2 2 10\ndirect\n0.813042 0.597976 0.106981 Li\n0.605900 0.202978 0.696884 Li\n0.000000 -0.000000 0.500000 Li\n0.186961 0.402025 0.893018 Li\n0.394102 0.797023 0.303115 Li\n0.000001 0.500000 0.500000 Li\n0.599187 0.699234 0.699174 Mn\n0.400815 0.300767 0.300826 Mn\n0.800221 0.100693 0.101086 Co\n0.199782 0.899307 0.898913 Co\n0.103811 0.423525 0.196982 O\n0.896191 0.576475 0.803017 O\n0.684736 0.152446 0.378261 O\n0.100313 0.968480 0.189891 O\n0.324589 0.362859 0.592676 O\n0.499608 0.767791 0.986199 O\n0.675414 0.637142 0.407324 O\n0.500395 0.232209 0.013800 O\n0.899689 0.031521 0.810108 O\n0.315267 0.847554 0.621738 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.35037182296604,
"density_atomic": 0.1220289727950379,
"volume": 163.89550400946476,
"volume_molar": 4.935008975380705,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.395280564137931,
"spacegroup": 2
},
{
"id": "jvasp-119579",
"created_at": "2022-09-04T14:38:35.655495Z",
"updated_at": "2022-09-04T14:38:35.655524Z",
"structure_string": "Ce2 Lu6 S12\n1.0\n3.906656 0.000000 0.000000\n-0.000000 10.314891 3.552513\n-0.000000 -0.000414 11.158971\nCe Lu S\n2 6 12\ndirect\n0.750001 0.550711 0.803782 Ce\n0.250000 0.449290 0.196217 Ce\n0.750001 0.178781 -0.000017 Lu\n0.250000 0.821219 0.000017 Lu\n0.750001 0.943491 0.665889 Lu\n0.250000 0.056509 0.334110 Lu\n0.750001 0.660638 0.412683 Lu\n0.250000 0.339363 0.587317 Lu\n0.250000 0.768495 0.769924 S\n0.750001 0.231505 0.230075 S\n0.250000 0.582474 0.591720 S\n0.750001 0.417527 0.408279 S\n0.250000 0.108124 0.556747 S\n0.250000 0.020256 0.113095 S\n0.250000 0.698890 0.250107 S\n0.750001 0.301110 0.749893 S\n0.750001 0.621207 0.035831 S\n0.750001 0.979744 0.886904 S\n0.750001 0.891877 0.443252 S\n0.250000 0.378793 0.964169 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Lu",
"S"
],
"chemical_system": "Ce-Lu-S",
"density": 6.3323747082286115,
"density_atomic": 0.04447648765544844,
"volume": 449.67579623050494,
"volume_molar": 13.540054706325892,
"formula_full": "Ce2 Lu6 S12",
"formula_reduced": "Ce(LuS2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.879492275,
"spacegroup": 11
},
{
"id": "jvasp-113221",
"created_at": "2022-09-04T14:38:47.389357Z",
"updated_at": "2022-09-04T14:38:47.389381Z",
"structure_string": "Li4 Fe4 F12\n1.0\n6.291371 -0.194317 0.507391\n0.981359 6.217398 0.507391\n0.197574 0.163626 5.702810\nLi Fe F\n4 4 12\ndirect\n0.651879 0.651880 0.856688 Li\n0.679207 0.320793 0.500000 Li\n0.320793 0.679207 0.500000 Li\n0.348120 0.348121 0.143312 Li\n0.765395 0.765395 0.247878 Fe\n0.844623 0.155376 -0.000000 Fe\n0.155377 0.844623 -0.000000 Fe\n0.234604 0.234605 0.752122 Fe\n0.713127 0.066057 0.335688 F\n0.066057 0.713128 0.335688 F\n0.224424 0.536700 0.879633 F\n0.536699 0.224425 0.879633 F\n0.775575 0.463300 0.120367 F\n0.627748 0.627749 0.553912 F\n0.286872 0.933944 0.664312 F\n0.933943 0.286873 0.664312 F\n0.372251 0.372252 0.446088 F\n0.851271 0.851272 0.871842 F\n0.463301 0.775575 0.120367 F\n0.148728 0.148728 0.128158 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5665420082933883,
"density_atomic": 0.08965604070764988,
"volume": 223.07476263887153,
"volume_molar": 6.716938103074368,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2978512695,
"spacegroup": 12
},
{
"id": "jvasp-116501",
"created_at": "2022-09-04T14:38:42.399150Z",
"updated_at": "2022-09-04T14:38:42.399173Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.834096 0.073740 -0.028384\n1.131139 11.751220 1.137796\n0.053786 -0.046575 5.030816\nLi Mn O\n6 4 10\ndirect\n0.899881 0.200007 0.299995 Li\n0.399946 0.200002 0.800003 Li\n0.303749 0.392234 0.092794 Li\n0.496235 0.007773 0.507216 Li\n0.701828 0.596383 0.900323 Li\n0.098233 0.803623 0.699665 Li\n0.996734 0.006220 0.992473 Mn\n0.600916 0.798159 0.201280 Mn\n0.803280 0.393778 0.607538 Mn\n0.199147 0.601839 0.398712 Mn\n0.053952 0.891469 0.328910 O\n0.455152 0.088867 0.141360 O\n0.344848 0.311129 0.458651 O\n0.844753 0.310689 0.922644 O\n0.955224 0.089311 0.677375 O\n0.250409 0.498976 0.721112 O\n0.549603 0.901021 0.878886 O\n0.651066 0.697411 0.534272 O\n0.148970 0.702584 0.065724 O\n0.746103 0.508528 0.271087 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.182504419310138,
"density_atomic": 0.1195448399213864,
"volume": 167.3012403810332,
"volume_molar": 5.03755809448589,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.4975401982758623,
"spacegroup": 12
},
{
"id": "jvasp-55256",
"created_at": "2022-09-04T14:38:35.692485Z",
"updated_at": "2022-09-04T14:38:35.692513Z",
"structure_string": "Ba4 Ag8 Te8\n1.0\n4.658548 0.000000 0.000000\n0.000000 10.934132 0.000000\n0.000000 0.000000 11.905487\nBa Ag Te\n4 8 8\ndirect\n0.750000 0.741955 0.805207 Ba\n0.250000 0.258045 0.194793 Ba\n0.750000 0.241955 0.694793 Ba\n0.250000 0.758045 0.305207 Ba\n0.250000 0.564112 0.587742 Ag\n0.750000 0.435888 0.412258 Ag\n0.750000 0.935888 0.087742 Ag\n0.250000 0.064112 0.912258 Ag\n0.750000 0.441022 0.953083 Ag\n0.750000 0.941021 0.546917 Ag\n0.250000 0.058978 0.453083 Ag\n0.250000 0.558978 0.046917 Ag\n0.750000 0.025662 0.311477 Te\n0.250000 0.817039 0.016221 Te\n0.750000 0.182961 0.983779 Te\n0.750000 0.682961 0.516222 Te\n0.250000 0.317039 0.483779 Te\n0.750000 0.525662 0.188523 Te\n0.250000 0.474338 0.811477 Te\n0.250000 0.974338 0.688523 Te\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Te"
],
"chemical_system": "Ag-Ba-Te",
"density": 6.662216192287582,
"density_atomic": 0.03297979435995322,
"volume": 606.4319195478564,
"volume_molar": 18.260091904370935,
"formula_full": "Ba4 Ag8 Te8",
"formula_reduced": "Ba(AgTe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0616212046666666,
"spacegroup": 62
},
{
"id": "jvasp-116605",
"created_at": "2022-09-04T14:38:44.222489Z",
"updated_at": "2022-09-04T14:38:44.222508Z",
"structure_string": "Nd4 Co6 Ge10\n1.0\n7.872408 -0.004161 -2.394109\n-1.562985 5.282886 -6.111856\n-0.006991 0.004161 8.228397\nNd Co Ge\n4 6 10\ndirect\n0.629042 0.865327 0.763715 Nd\n0.370959 0.134674 0.236286 Nd\n0.101613 0.365327 0.736286 Nd\n0.898388 0.634674 0.263715 Nd\n0.500001 0.750001 0.250000 Co\n0.970488 0.863005 0.107482 Co\n0.500000 0.250000 0.750000 Co\n0.755524 0.363005 0.392519 Co\n0.244478 0.636996 0.607482 Co\n0.029513 0.136995 0.892519 Co\n0.000001 0.750000 0.750000 Ge\n0.267631 0.017631 0.750000 Ge\n0.732370 0.982370 0.250000 Ge\n0.732370 0.482369 0.750000 Ge\n0.267631 0.517631 0.250000 Ge\n0.438061 0.596693 0.841367 Ge\n0.561941 0.403308 0.158633 Ge\n0.755326 0.096692 0.658633 Ge\n0.244675 0.903309 0.341367 Ge\n0.000000 0.250000 0.250000 Ge\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Nd",
"density": 8.03850812080557,
"density_atomic": 0.058430882997667785,
"volume": 342.28474693422453,
"volume_molar": 10.306434630194394,
"formula_full": "Nd4 Co6 Ge10",
"formula_reduced": "Nd2Co3Ge5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 1.993035545,
"spacegroup": 72
}
]
}