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=-updated_at&page=618",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=616",
"results": [
{
"id": "jvasp-55180",
"created_at": "2022-09-04T14:38:35.641641Z",
"updated_at": "2022-09-04T14:38:35.641664Z",
"structure_string": "Cu4 Te4 Cl4 O10\n1.0\n7.602315 -0.000000 -0.000000\n0.000000 7.602315 0.000000\n-0.000000 0.000000 6.382054\nCu Te Cl O\n4 4 4 10\ndirect\n0.452007 0.735388 0.844158 Cu\n0.547994 0.264612 0.844158 Cu\n0.735388 0.547994 0.155842 Cu\n0.264612 0.452007 0.155842 Cu\n0.654008 0.169905 0.359221 Te\n0.169905 0.345993 0.640778 Te\n0.830096 0.654008 0.640778 Te\n0.345993 0.830096 0.359221 Te\n0.093252 0.213352 0.195662 Cl\n0.906749 0.786649 0.195662 Cl\n0.786649 0.093252 0.804338 Cl\n0.213352 0.906749 0.804338 Cl\n0.668051 0.591400 0.862412 O\n0.500000 0.000000 0.214240 O\n0.331949 0.408601 0.862412 O\n0.529853 0.774376 0.554668 O\n0.774376 0.470147 0.445331 O\n0.470147 0.225625 0.554668 O\n0.408601 0.668051 0.137588 O\n-0.000000 0.500000 0.785759 O\n0.225625 0.529853 0.445331 O\n0.591400 0.331949 0.137588 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cu",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Te",
"density": 4.800792836673395,
"density_atomic": 0.05964451139872225,
"volume": 368.8520449590153,
"volume_molar": 10.09672242889563,
"formula_full": "Cu4 Te4 Cl4 O10",
"formula_reduced": "Cu2Te2Cl2O5",
"formula_anonymous": "A2B2C2D5",
"energy_above_hull": 1.375415642575757,
"spacegroup": 81
},
{
"id": "jvasp-26276",
"created_at": "2022-09-04T14:38:35.639584Z",
"updated_at": "2022-09-04T14:38:35.639611Z",
"structure_string": "Mn2 Ga2 H8 O4 F10\n1.0\n5.809553 -0.000000 2.984989\n1.858878 6.230777 3.528082\n-0.128750 -0.018526 7.396515\nMn Ga H O F\n2 2 8 4 10\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500001 Ga\n0.500000 0.500000 -0.000000 Ga\n0.290562 0.489130 0.697599 H\n0.977291 0.010869 0.802402 H\n0.290562 0.697599 0.489131 H\n0.977291 0.802402 0.010869 H\n0.709438 0.510870 0.302401 H\n0.022709 0.989131 0.197598 H\n0.022709 0.197598 0.989131 H\n0.709438 0.302401 0.510870 H\n0.873031 0.928802 0.928802 O\n0.230634 0.571198 0.571198 O\n0.126969 0.071198 0.071198 O\n0.769366 0.428802 0.428802 O\n0.577620 0.658878 0.089801 F\n0.433160 0.750000 0.750000 F\n0.173700 0.589801 0.158877 F\n0.422380 0.910199 0.341123 F\n0.173700 0.158877 0.589801 F\n0.422380 0.341122 0.910200 F\n0.826299 0.410199 0.841123 F\n0.577620 0.089801 0.658878 F\n0.826299 0.841123 0.410199 F\n0.566839 0.250000 0.250000 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Mn",
"Ga",
"H",
"O",
"F"
],
"chemical_system": "F-Ga-H-Mn-O",
"density": 3.1402049336251565,
"density_atomic": 0.09615001100009452,
"volume": 270.4107854961602,
"volume_molar": 6.263276204923243,
"formula_full": "Mn2 Ga2 H8 O4 F10",
"formula_reduced": "MnGaH4O2F5",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 1.572775998375331,
"spacegroup": 74
},
{
"id": "jvasp-51626",
"created_at": "2022-09-04T14:38:35.637148Z",
"updated_at": "2022-09-04T14:38:35.637166Z",
"structure_string": "Pr10 Ni2 Pb6\n1.0\n4.764136 -8.251726 -0.000000\n4.764136 8.251726 0.000000\n-0.000000 0.000000 6.967125\nPr Ni Pb\n10 2 6\ndirect\n0.242348 0.000000 0.250000 Pr\n0.666667 0.333333 0.000000 Pr\n0.000000 0.242348 0.250000 Pr\n0.757653 0.757653 0.250000 Pr\n0.757653 0.000000 0.749999 Pr\n0.333333 0.666667 0.000000 Pr\n0.666667 0.333333 0.500000 Pr\n0.333333 0.666667 0.500000 Pr\n0.000000 0.757653 0.749999 Pr\n0.242348 0.242348 0.749999 Pr\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.602004 0.250000 Pb\n0.397997 0.397997 0.250000 Pb\n0.397997 0.000000 0.749999 Pb\n0.602004 0.000000 0.250000 Pb\n0.000000 0.397997 0.749999 Pb\n0.602004 0.602004 0.749999 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Pb"
],
"chemical_system": "Ni-Pb-Pr",
"density": 8.39582787346442,
"density_atomic": 0.03285942485600056,
"volume": 547.788041905212,
"volume_molar": 18.326981638877584,
"formula_full": "Pr10 Ni2 Pb6",
"formula_reduced": "Pr5NiPb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.2865626788888889,
"spacegroup": 193
},
{
"id": "jvasp-57660",
"created_at": "2022-09-04T14:38:35.630104Z",
"updated_at": "2022-09-04T14:38:35.630126Z",
"structure_string": "Hf10 Ge6\n1.0\n3.988044 -6.907493 -0.000000\n3.988044 6.907493 -0.000000\n-0.000000 0.000000 5.540251\nHf Ge\n10 6\ndirect\n0.666666 0.333333 0.000000 Hf\n0.333333 0.666666 0.500000 Hf\n0.333333 0.666666 0.000000 Hf\n0.666666 0.333333 0.500000 Hf\n0.251411 -0.000000 0.750000 Hf\n-0.000000 0.748588 0.250000 Hf\n0.251411 0.251411 0.250000 Hf\n0.748588 0.748588 0.750000 Hf\n-0.000000 0.251411 0.750000 Hf\n0.748588 -0.000000 0.250000 Hf\n0.611306 -0.000000 0.750000 Ge\n-0.000000 0.388694 0.250000 Ge\n0.611306 0.611306 0.250000 Ge\n0.388693 0.388693 0.750000 Ge\n-0.000000 0.611306 0.750000 Ge\n0.388694 -0.000000 0.250000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Hf",
"Ge"
],
"chemical_system": "Ge-Hf",
"density": 12.08111397236711,
"density_atomic": 0.05241796439337501,
"volume": 305.2388658194862,
"volume_molar": 11.488696346173118,
"formula_full": "Hf10 Ge6",
"formula_reduced": "Hf5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 4.26012285625,
"spacegroup": 193
},
{
"id": "jvasp-119149",
"created_at": "2022-09-04T14:38:35.625154Z",
"updated_at": "2022-09-04T14:38:35.625170Z",
"structure_string": "Sm2 Co16 Ag1\n1.0\n6.270625 0.003714 0.711084\n0.635421 6.238348 0.711084\n0.004109 0.003714 6.310813\nSm Co Ag\n2 16 1\ndirect\n0.652333 0.652333 0.652333 Sm\n0.343923 0.343923 0.343922 Sm\n0.006641 0.006641 0.488027 Co\n0.488027 0.006641 0.006641 Co\n0.006641 0.488028 0.006641 Co\n0.649088 0.649089 0.158062 Co\n0.158063 0.649089 0.649088 Co\n0.649088 0.158062 0.649088 Co\n0.344957 0.344957 0.846913 Co\n0.846913 0.344957 0.344957 Co\n0.344957 0.846913 0.344957 Co\n0.290426 0.000613 0.710554 Co\n0.710554 0.290426 0.000613 Co\n0.000613 0.710554 0.290425 Co\n0.290426 0.710554 0.000613 Co\n0.000613 0.290426 0.710554 Co\n0.710554 0.000613 0.290426 Co\n0.108353 0.108353 0.108353 Co\n0.897826 0.897826 0.897825 Ag\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Ag"
],
"chemical_system": "Ag-Co-Sm",
"density": 9.09264119540456,
"density_atomic": 0.07697900599590785,
"volume": 246.8205422269291,
"volume_molar": 7.823094988158374,
"formula_full": "Sm2 Co16 Ag1",
"formula_reduced": "Sm2Co16Ag",
"formula_anonymous": "AB2C16",
"energy_above_hull": 3.6715168110526313,
"spacegroup": 160
},
{
"id": "jvasp-26915",
"created_at": "2022-09-04T14:38:35.624349Z",
"updated_at": "2022-09-04T14:38:35.624364Z",
"structure_string": "Tl2 In10 S12\n1.0\n0.000000 8.897689 -0.007781\n3.970540 0.000000 0.000000\n0.000000 -1.519241 -17.608886\nTl In S\n2 10 12\ndirect\n0.379542 0.750000 0.783626 Tl\n0.620458 0.250000 0.216374 Tl\n0.303456 0.750000 0.994910 In\n0.889648 0.250000 0.886918 In\n0.110353 0.750000 0.113082 In\n0.965913 0.250000 0.382882 In\n0.696544 0.250000 0.005090 In\n0.232191 0.250000 0.313291 In\n0.767810 0.750000 0.686709 In\n0.343125 0.250000 0.544953 In\n0.656875 0.750000 0.455047 In\n0.034088 0.750000 0.617119 In\n0.466578 0.250000 0.412128 S\n0.533423 0.750000 0.587873 S\n0.406757 0.250000 0.924705 S\n0.593243 0.750000 0.075295 S\n0.692597 0.250000 0.766861 S\n0.836889 0.250000 0.506217 S\n0.163111 0.750000 0.493783 S\n0.202115 0.250000 0.669374 S\n0.797885 0.750000 0.330626 S\n0.056154 0.750000 0.866890 S\n0.307404 0.750000 0.233139 S\n0.943846 0.250000 0.133110 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.182576632751412,
"density_atomic": 0.03857623126885287,
"volume": 622.1447562550783,
"volume_molar": 15.611013730266551,
"formula_full": "Tl2 In10 S12",
"formula_reduced": "TlIn5S6",
"formula_anonymous": "AB5C6",
"energy_above_hull": 0.7915785375,
"spacegroup": 11
},
{
"id": "jvasp-59918",
"created_at": "2022-09-04T14:38:35.623969Z",
"updated_at": "2022-09-04T14:38:35.623999Z",
"structure_string": "Ba4 Cu2 Sn4 F28\n1.0\n5.321454 -0.012852 0.017815\n-2.642943 7.220905 -0.009967\n-0.056134 -0.652454 15.416500\nBa Cu Sn F\n4 2 4 28\ndirect\n0.743834 0.636792 0.375104 Ba\n0.892642 0.636900 0.875112 Ba\n0.254708 0.361228 0.624166 Ba\n0.106406 0.361351 0.124155 Ba\n0.499554 0.999053 0.999652 Cu\n0.499088 0.998887 0.499642 Cu\n0.857155 0.761913 0.128742 Sn\n0.142025 0.236340 0.870592 Sn\n0.904485 0.761805 0.628729 Sn\n0.093803 0.236270 0.370615 Sn\n0.004239 0.360284 0.777636 F\n0.267227 0.160477 0.984311 F\n0.063792 0.979995 0.340711 F\n0.731903 0.837659 0.015000 F\n0.892804 0.160319 0.484311 F\n0.480101 0.112824 0.604775 F\n0.813357 0.257397 0.292974 F\n0.642823 0.637935 0.721683 F\n0.105370 0.837502 0.514992 F\n0.366543 0.885114 0.894524 F\n0.083563 0.018195 0.158544 F\n0.857508 0.281492 0.947236 F\n0.443432 0.257305 0.792939 F\n-0.005080 0.637983 0.221709 F\n0.646866 0.499966 0.084215 F\n0.555726 0.740962 0.206386 F\n0.852783 0.499832 0.584226 F\n0.355473 0.360263 0.277681 F\n0.915604 0.980083 0.840743 F\n0.141637 0.716728 0.052090 F\n0.632599 0.113017 0.104777 F\n0.517977 0.884954 0.394503 F\n0.145515 0.498141 0.415256 F\n0.423524 0.281289 0.447246 F\n0.574781 0.716652 0.552068 F\n0.934440 0.018107 0.658542 F\n0.184977 0.740881 0.706411 F\n0.352305 0.498233 0.915175 F\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Sn",
"F"
],
"chemical_system": "Ba-Cu-F-Sn",
"density": 4.7223427306074575,
"density_atomic": 0.0642033213493689,
"volume": 591.8696914949171,
"volume_molar": 9.379796299368858,
"formula_full": "Ba4 Cu2 Sn4 F28",
"formula_reduced": "Ba2CuSn2F14",
"formula_anonymous": "AB2C2D14",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-40207",
"created_at": "2022-09-04T14:38:35.623828Z",
"updated_at": "2022-09-04T14:38:35.623850Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n1.135456 -3.603097 -0.000000\n5.322502 3.657756 -0.000000\n-0.000000 -0.000000 9.385772\nCa Sn S\n2 2 6\ndirect\n0.746531 0.493063 0.750000 Ca\n0.253469 0.506938 0.250000 Ca\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.081160 0.162320 0.750000 S\n0.918840 0.837680 0.250000 S\n0.357050 0.714100 0.548575 S\n0.642950 0.285900 0.451425 S\n0.357050 0.714100 0.951425 S\n0.642950 0.285900 0.048575 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.8671616579163044,
"density_atomic": 0.045666950058817636,
"volume": 218.97674329291328,
"volume_molar": 13.187087712763097,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.976772424,
"spacegroup": 63
},
{
"id": "jvasp-40966",
"created_at": "2022-09-04T14:38:35.623673Z",
"updated_at": "2022-09-04T14:38:35.623690Z",
"structure_string": "Pm2 Ru1 Au1\n1.0\n0.000000 3.576966 3.576966\n3.576966 -0.000000 3.576966\n3.576966 3.576966 0.000000\nPm Ru Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.500001 0.500001 Pm\n0.750001 0.750001 0.750001 Ru\n0.250001 0.250001 0.250001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ru",
"Au"
],
"chemical_system": "Au-Pm-Ru",
"density": 10.66790158442499,
"density_atomic": 0.04370041481378383,
"volume": 91.532311925294,
"volume_molar": 13.780511662558677,
"formula_full": "Pm2 Ru1 Au1",
"formula_reduced": "Pm2RuAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.890917605,
"spacegroup": 225
},
{
"id": "jvasp-33181",
"created_at": "2022-09-04T14:38:35.616019Z",
"updated_at": "2022-09-04T14:38:35.616059Z",
"structure_string": "Ru2 C8 O8\n1.0\n5.433041 -0.001721 -1.970719\n-1.031881 6.107738 -2.854646\n-0.079632 0.079906 8.294489\nRu C O\n2 8 8\ndirect\n0.000620 0.000633 0.000485 Ru\n0.500625 0.000639 0.000495 Ru\n0.127387 0.005327 0.253200 C\n0.873812 0.995936 0.747766 C\n0.060822 0.317433 0.120006 C\n0.627376 0.247164 0.253093 C\n0.940424 0.683830 0.880955 C\n0.440298 0.198530 0.880776 C\n0.373920 0.754116 0.747895 C\n0.560914 0.802740 0.120200 C\n0.798837 0.993487 0.598187 O\n0.702309 0.393460 0.402562 O\n0.597023 0.685476 0.191698 O\n0.096897 0.505709 0.191396 O\n0.404158 0.315771 0.809256 O\n0.202317 0.007783 0.402783 O\n0.904340 0.495554 0.809561 O\n0.299036 0.607819 0.598426 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ru",
"C",
"O"
],
"chemical_system": "C-O-Ru",
"density": 2.567412530161229,
"density_atomic": 0.06529567625918581,
"volume": 275.66909527899645,
"volume_molar": 9.222878305288711,
"formula_full": "Ru2 C8 O8",
"formula_reduced": "Ru(CO)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.956012722222222,
"spacegroup": 72
},
{
"id": "jvasp-54874",
"created_at": "2022-09-04T14:38:35.614320Z",
"updated_at": "2022-09-04T14:38:35.614353Z",
"structure_string": "Er16 In4 Rh4\n1.0\n8.227771 -0.000000 4.750306\n2.742591 7.757216 4.750306\n0.000000 0.000000 9.500612\nEr In Rh\n16 4 4\ndirect\n0.189469 0.810531 0.189470 Er\n0.810530 0.189470 0.189470 Er\n0.437708 0.062292 0.437708 Er\n0.189469 0.810531 0.810531 Er\n0.650046 0.650046 0.049863 Er\n0.650046 0.650046 0.650046 Er\n0.650046 0.049862 0.650046 Er\n0.810530 0.189470 0.810531 Er\n0.437708 0.437708 0.062292 Er\n0.062292 0.437708 0.062292 Er\n0.810530 0.810531 0.189470 Er\n0.049862 0.650046 0.650046 Er\n0.437708 0.062292 0.062292 Er\n0.062292 0.437708 0.437708 Er\n0.062292 0.062292 0.437708 Er\n0.189469 0.189470 0.810530 Er\n0.751107 0.416298 0.416298 In\n0.416297 0.751108 0.416298 In\n0.416297 0.416298 0.751107 In\n0.416297 0.416298 0.416298 In\n0.857588 0.857589 0.427236 Rh\n0.427235 0.857589 0.857589 Rh\n0.857588 0.427236 0.857589 Rh\n0.857588 0.857589 0.857589 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"In",
"Rh"
],
"chemical_system": "Er-In-Rh",
"density": 9.713489528219089,
"density_atomic": 0.03957961627471913,
"volume": 606.3727306858615,
"volume_molar": 15.215258071732622,
"formula_full": "Er16 In4 Rh4",
"formula_reduced": "Er4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3552221616666662,
"spacegroup": 216
},
{
"id": "jvasp-20917",
"created_at": "2022-09-04T14:38:35.612263Z",
"updated_at": "2022-09-04T14:38:35.612284Z",
"structure_string": "Li4 Ce4 Ge6\n1.0\n4.289425 0.000000 -1.019552\n0.000000 6.839396 -0.000000\n0.000802 0.000000 9.536317\nLi Ce Ge\n4 4 6\ndirect\n0.691477 0.063172 0.382953 Li\n0.308523 0.936828 0.617047 Li\n0.308523 0.563173 0.617047 Li\n0.691477 0.436828 0.382953 Li\n0.156310 0.750000 0.312619 Ce\n0.843691 0.250000 0.687381 Ce\n0.949718 0.750000 0.899436 Ce\n0.050282 0.250000 0.100564 Ce\n0.220528 0.250000 0.441056 Ge\n0.779472 0.750000 0.558945 Ge\n0.564087 0.561906 0.128172 Ge\n0.435914 0.438094 0.871828 Ge\n0.435914 0.061906 0.871828 Ge\n0.564087 0.938095 0.128172 Ge\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Ge"
],
"chemical_system": "Ce-Ge-Li",
"density": 6.078154061858184,
"density_atomic": 0.05004052374234441,
"volume": 279.77325081738036,
"volume_molar": 12.034527837893213,
"formula_full": "Li4 Ce4 Ge6",
"formula_reduced": "Li2Ce2Ge3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.23618555,
"spacegroup": 63
}
]
}