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=1302",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1300",
"results": [
{
"id": "jvasp-42764",
"created_at": "2022-09-04T14:35:50.553830Z",
"updated_at": "2022-09-04T14:35:50.553858Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 4.845608 0.001610\n3.202233 0.000000 0.000000\n0.000000 -0.635058 -14.482418\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.016980 0.000000 0.673225 Mn\n0.983020 0.000000 0.326775 Mn\n0.472894 0.499999 0.823928 Mn\n0.500000 0.499999 0.500000 Mn\n0.527106 0.499999 0.176072 Mn\n0.695652 0.000000 0.232743 O\n0.304348 0.000000 0.767257 O\n0.206354 0.499999 0.938265 F\n0.307713 0.000000 0.106632 F\n0.294405 0.000000 0.429916 F\n0.705595 0.000000 0.570084 F\n0.807404 0.499999 0.730957 F\n0.793646 0.499999 0.061735 F\n0.807293 0.499999 0.402317 F\n0.192707 0.499999 0.597683 F\n0.692287 0.000000 0.893368 F\n0.192596 0.499999 0.269043 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.076112283241574,
"density_atomic": 0.08010074365238491,
"volume": 224.71701483965023,
"volume_molar": 7.518208302952124,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6354196262931036,
"spacegroup": 10
},
{
"id": "jvasp-71105",
"created_at": "2022-09-04T14:35:50.556821Z",
"updated_at": "2022-09-04T14:35:50.556854Z",
"structure_string": "Be1 Co1 W2\n1.0\n2.685219 0.000000 -0.000000\n0.000000 2.685219 0.000000\n0.000000 -0.000000 6.960815\nBe Co W\n1 1 2\ndirect\n0.000000 0.000000 0.541201 Be\n0.500000 0.500000 0.708163 Co\n0.000000 0.000000 0.959013 W\n0.500000 0.500000 0.291622 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"W"
],
"chemical_system": "Be-Co-W",
"density": 14.412613959473129,
"density_atomic": 0.07969672530210062,
"volume": 50.1902679794871,
"volume_molar": 7.556321463864804,
"formula_full": "Be1 Co1 W2",
"formula_reduced": "BeCoW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.21078925,
"spacegroup": 99
},
{
"id": "jvasp-67967",
"created_at": "2022-09-04T14:35:50.560778Z",
"updated_at": "2022-09-04T14:35:50.560814Z",
"structure_string": "Be1 Si2 Sb1\n1.0\n-2.212440 2.212440 3.603953\n2.212440 -2.212440 3.603953\n2.212440 2.212440 -3.603953\nBe Si Sb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Sb"
],
"chemical_system": "Be-Sb-Si",
"density": 4.399229457046742,
"density_atomic": 0.05668626959613685,
"volume": 70.56382486443593,
"volume_molar": 10.623632147440528,
"formula_full": "Be1 Si2 Sb1",
"formula_reduced": "BeSi2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.62602735,
"spacegroup": 119
},
{
"id": "jvasp-67121",
"created_at": "2022-09-04T14:35:50.568909Z",
"updated_at": "2022-09-04T14:35:50.568934Z",
"structure_string": "Ta1 Be2 Ru1\n1.0\n2.934523 -0.000000 0.000000\n0.000000 2.934523 -0.000000\n-0.000000 -0.000000 5.613689\nTa Be Ru\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Ta\n0.000000 0.000000 0.800295 Be\n0.000000 0.000000 0.199705 Be\n0.499999 0.499999 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Ru"
],
"chemical_system": "Be-Ru-Ta",
"density": 10.306426677226556,
"density_atomic": 0.08274401814476011,
"volume": 48.341863130238934,
"volume_molar": 7.278037609273827,
"formula_full": "Ta1 Be2 Ru1",
"formula_reduced": "TaBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.676975475,
"spacegroup": 123
},
{
"id": "jvasp-71553",
"created_at": "2022-09-04T14:35:50.576415Z",
"updated_at": "2022-09-04T14:35:50.576443Z",
"structure_string": "Ca1 Be2 Os1\n1.0\n3.080916 0.000000 -0.000000\n0.000000 3.080916 0.000000\n0.000000 -0.000000 6.073261\nCa Be Os\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Ca\n0.000000 0.000000 0.668890 Be\n0.000000 0.000000 0.331109 Be\n0.500001 0.500001 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Os"
],
"chemical_system": "Be-Ca-Os",
"density": 7.153206452514592,
"density_atomic": 0.06938703512244557,
"volume": 57.64765698579425,
"volume_molar": 8.679057621316257,
"formula_full": "Ca1 Be2 Os1",
"formula_reduced": "CaBe2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.285061905,
"spacegroup": 123
},
{
"id": "jvasp-65488",
"created_at": "2022-09-04T14:35:50.582445Z",
"updated_at": "2022-09-04T14:35:50.582471Z",
"structure_string": "Ba1 Hf2 Ni1\n1.0\n3.320288 0.000000 0.000000\n0.000000 3.320288 0.000000\n-0.000000 0.000000 8.759483\nBa Hf Ni\n1 2 1\ndirect\n0.500000 0.500000 0.708225 Ba\n0.000000 0.000000 0.069380 Hf\n0.500000 0.500000 0.291915 Hf\n0.000000 0.000000 0.430480 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ni"
],
"chemical_system": "Ba-Hf-Ni",
"density": 9.509212600890203,
"density_atomic": 0.041421899021495345,
"volume": 96.56727708027711,
"volume_molar": 14.538543384683765,
"formula_full": "Ba1 Hf2 Ni1",
"formula_reduced": "BaHf2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9447185925,
"spacegroup": 99
},
{
"id": "jvasp-94421",
"created_at": "2022-09-04T14:35:50.585946Z",
"updated_at": "2022-09-04T14:35:50.585972Z",
"structure_string": "Ca2 Mn2 Sn2\n1.0\n4.489673 0.000000 0.000000\n0.000000 4.489673 -0.000000\n0.000000 0.000000 7.294551\nCa Mn Sn\n2 2 2\ndirect\n0.250000 0.250000 0.175447 Ca\n0.750000 0.750000 0.824553 Ca\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.250000 0.250000 0.720196 Sn\n0.750000 0.750000 0.279804 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sn"
],
"chemical_system": "Ca-Mn-Sn",
"density": 4.827347419162673,
"density_atomic": 0.04080592844779397,
"volume": 147.0374582378696,
"volume_molar": 14.758004508351204,
"formula_full": "Ca2 Mn2 Sn2",
"formula_reduced": "CaMnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1681331204597702,
"spacegroup": 129
},
{
"id": "jvasp-97893",
"created_at": "2022-09-04T14:35:50.592006Z",
"updated_at": "2022-09-04T14:35:50.592031Z",
"structure_string": "Yb4 C6 N12\n1.0\n6.147548 0.167306 9.253861\n2.917609 5.413677 9.253861\n0.271754 0.167306 11.106414\nYb C N\n4 6 12\ndirect\n0.165249 0.165249 0.165249 Yb\n0.665248 0.665250 0.665248 Yb\n0.834750 0.834753 0.834750 Yb\n0.334751 0.334752 0.334751 Yb\n0.057844 0.750001 0.442155 C\n0.750000 0.442156 0.057844 C\n0.557845 0.942156 0.249999 C\n0.942154 0.250001 0.557844 C\n0.249999 0.557846 0.942154 C\n0.442154 0.057846 0.749999 C\n0.335036 0.570010 0.959126 N\n0.929991 0.164965 0.540872 N\n0.164962 0.540874 0.929991 N\n0.959126 0.335038 0.570007 N\n0.570008 0.959128 0.335036 N\n0.835037 0.459128 0.070007 N\n0.540873 0.929993 0.164962 N\n0.040872 0.664964 0.429991 N\n0.664963 0.429993 0.040872 N\n0.459126 0.070009 0.835036 N\n0.429991 0.040874 0.664963 N\n0.070008 0.835038 0.459127 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Yb",
"C",
"N"
],
"chemical_system": "C-N-Yb",
"density": 4.474161753018279,
"density_atomic": 0.06358101216253847,
"volume": 346.01525285189246,
"volume_molar": 9.47160253536858,
"formula_full": "Yb4 C6 N12",
"formula_reduced": "Yb2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 5.177625536363637,
"spacegroup": 167
},
{
"id": "jvasp-71974",
"created_at": "2022-09-04T14:35:50.592110Z",
"updated_at": "2022-09-04T14:35:50.592138Z",
"structure_string": "Mn2 Be1 Pd1\n1.0\n-1.646349 1.646349 4.142673\n1.646349 -1.646349 4.142673\n1.646349 1.646349 -4.142673\nMn Be Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Pd"
],
"chemical_system": "Be-Mn-Pd",
"density": 8.329938224728023,
"density_atomic": 0.08905853315275049,
"volume": 44.9142811856032,
"volume_molar": 6.762003085848054,
"formula_full": "Mn2 Be1 Pd1",
"formula_reduced": "Mn2BePd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.994281570689655,
"spacegroup": 139
},
{
"id": "jvasp-95354",
"created_at": "2022-09-04T14:35:50.595395Z",
"updated_at": "2022-09-04T14:35:50.595425Z",
"structure_string": "Co6 B4 O12\n1.0\n4.618195 -0.000000 0.000000\n0.000000 5.417994 0.000000\n0.000000 0.000000 8.230972\nCo B O\n6 4 12\ndirect\n0.000000 0.000000 0.000000 Co\n0.499999 0.000000 0.324430 Co\n0.000000 0.499999 0.175570 Co\n0.499999 0.000000 0.675569 Co\n0.000000 0.499999 0.824430 Co\n0.499999 0.499999 0.500000 Co\n0.039364 0.249044 0.500000 B\n0.539363 0.250955 0.000000 B\n0.960634 0.750955 0.500000 B\n0.460635 0.749043 0.000000 B\n0.307869 0.794763 0.142535 O\n0.807869 0.705234 0.642535 O\n0.192130 0.294763 0.642535 O\n0.807869 0.705234 0.357463 O\n0.192130 0.294763 0.357463 O\n0.250647 0.815254 0.500000 O\n0.750646 0.684745 0.000000 O\n0.692132 0.205236 0.142535 O\n0.749351 0.184745 0.500000 O\n0.692132 0.205236 0.857463 O\n0.307869 0.794763 0.857463 O\n0.249352 0.315255 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Co",
"B",
"O"
],
"chemical_system": "B-Co-O",
"density": 4.747680865151346,
"density_atomic": 0.10682201601820807,
"volume": 205.9500543057533,
"volume_molar": 5.637546438904048,
"formula_full": "Co6 B4 O12",
"formula_reduced": "Co3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 3.519852624242424,
"spacegroup": 58
},
{
"id": "jvasp-87000",
"created_at": "2022-09-04T14:35:50.599921Z",
"updated_at": "2022-09-04T14:35:50.599948Z",
"structure_string": "K4 Ag8 S6\n1.0\n4.255311 0.000000 -0.000000\n-2.127656 8.345256 -2.732010\n-0.000000 -0.014262 11.576455\nK Ag S\n4 8 6\ndirect\n0.667523 0.335047 0.838711 K\n0.814300 0.628600 0.658613 K\n0.185699 0.371400 0.341388 K\n0.332476 0.664953 0.161290 K\n0.985144 0.970289 0.120802 Ag\n0.024110 0.048221 0.632602 Ag\n0.975889 0.951780 0.367399 Ag\n0.590959 0.181918 0.086098 Ag\n0.405842 0.811685 0.488521 Ag\n0.594158 0.188316 0.511480 Ag\n0.409040 0.818083 0.913903 Ag\n0.014855 0.029712 0.879199 Ag\n0.834467 0.668936 0.383404 S\n0.466576 0.933154 0.724528 S\n0.165532 0.331064 0.616597 S\n0.851195 0.702393 0.960006 S\n0.148804 0.297608 0.039995 S\n0.533423 0.066846 0.275473 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Ag",
"S"
],
"chemical_system": "Ag-K-S",
"density": 4.89647074487345,
"density_atomic": 0.043802726248210175,
"volume": 410.9333263414283,
"volume_molar": 13.748324078906094,
"formula_full": "K4 Ag8 S6",
"formula_reduced": "K2Ag4S3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.2989327822222223,
"spacegroup": 12
},
{
"id": "jvasp-88000",
"created_at": "2022-09-04T14:35:50.608585Z",
"updated_at": "2022-09-04T14:35:50.608612Z",
"structure_string": "Rb4 Ta4 O12\n1.0\n6.451388 0.011081 0.429999\n0.756654 6.406871 0.429999\n0.034657 0.030859 8.169351\nRb Ta O\n4 4 12\ndirect\n0.768688 0.231313 0.500000 Rb\n0.231312 0.768687 0.500000 Rb\n0.336096 0.336095 0.239023 Rb\n0.663905 0.663904 0.760978 Rb\n0.261481 0.261481 0.801831 Ta\n0.810530 0.189470 0.000000 Ta\n0.189470 0.810530 0.000000 Ta\n0.738519 0.738519 0.198169 Ta\n0.953145 0.288836 0.786979 O\n0.711164 0.046855 0.213021 O\n0.122288 0.122288 0.052825 O\n0.666938 0.666938 0.413825 O\n0.333062 0.333062 0.586175 O\n0.453180 0.772906 0.103760 O\n0.227094 0.546819 0.896240 O\n0.546820 0.227094 0.896240 O\n0.772907 0.453181 0.103760 O\n0.877712 0.877712 0.947175 O\n0.288836 0.953145 0.786979 O\n0.046855 0.711164 0.213021 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"O"
],
"chemical_system": "O-Rb-Ta",
"density": 6.189165350216104,
"density_atomic": 0.05927223209547315,
"volume": 337.42613181472336,
"volume_molar": 10.160138309452892,
"formula_full": "Rb4 Ta4 O12",
"formula_reduced": "RbTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.20603594,
"spacegroup": 12
}
]
}