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=created_at&page=4028",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4026",
"results": [
{
"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-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-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-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-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-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-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-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-19394",
"created_at": "2022-09-04T14:38:35.643485Z",
"updated_at": "2022-09-04T14:38:35.643514Z",
"structure_string": "Mg4 Ta2 Bi2 O12\n1.0\n0.000000 5.570423 0.000165\n7.957489 0.000000 0.000000\n0.000000 -0.327847 -5.587828\nMg Ta Bi O\n4 2 2 12\ndirect\n0.970857 0.250000 0.018269 Mg\n0.473098 0.250000 0.477494 Mg\n0.526901 0.750000 0.522505 Mg\n0.029142 0.750000 0.981731 Mg\n0.500000 0.000000 -0.000000 Ta\n0.500000 0.500000 -0.000000 Ta\n-0.000000 0.000000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.180376 0.071823 0.876230 O\n0.126344 0.250000 0.350476 O\n0.819623 0.928177 0.123770 O\n0.632762 0.072841 0.693464 O\n0.367237 0.572841 0.306536 O\n0.632762 0.427159 0.693464 O\n0.367237 0.927159 0.306536 O\n0.180376 0.428177 0.876230 O\n0.873655 0.750000 0.649524 O\n0.819623 0.571823 0.123770 O\n0.405713 0.750000 0.868558 O\n0.594286 0.250000 0.131442 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ta",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O-Ta",
"density": 7.167182827704488,
"density_atomic": 0.08074646130725709,
"volume": 247.68887300083455,
"volume_molar": 7.458086289483947,
"formula_full": "Mg4 Ta2 Bi2 O12",
"formula_reduced": "Mg2TaBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1917842599999995,
"spacegroup": 11
},
{
"id": "jvasp-117553",
"created_at": "2022-09-04T14:38:35.643488Z",
"updated_at": "2022-09-04T14:38:35.643517Z",
"structure_string": "Ba1 Ru1 Cl1\n1.0\n3.402048 0.000000 0.000000\n0.000000 3.402048 -0.000000\n-0.000000 0.000000 7.597196\nBa Ru Cl\n1 1 1\ndirect\n0.000000 0.000000 0.366975 Ba\n0.000000 0.000000 0.688616 Ru\n0.000000 0.000000 -0.007377 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Cl"
],
"chemical_system": "Ba-Cl-Ru",
"density": 5.171632286969093,
"density_atomic": 0.03411827380155347,
"volume": 87.92941921532397,
"volume_molar": 17.65077798199099,
"formula_full": "Ba1 Ru1 Cl1",
"formula_reduced": "BaRuCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5014501791666666,
"spacegroup": 99
},
{
"id": "jvasp-20312",
"created_at": "2022-09-04T14:38:35.647843Z",
"updated_at": "2022-09-04T14:38:35.647863Z",
"structure_string": "Ti5 Re24\n1.0\n7.894239 0.000000 -2.791036\n-3.947119 6.836612 -2.791036\n-0.000000 -0.000000 8.373105\nTi Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Ti\n0.633943 0.633943 0.633942 Ti\n0.366057 -0.000000 -0.000000 Ti\n-0.000000 0.366056 -0.000000 Ti\n0.000000 0.000000 0.366056 Ti\n0.182921 0.375736 0.375735 Re\n-0.000000 0.624264 0.807184 Re\n0.624264 0.000000 0.807184 Re\n0.807185 -0.000000 0.624263 Re\n0.192815 0.817079 0.192814 Re\n0.817079 0.192815 0.192814 Re\n-0.000000 0.807185 0.624263 Re\n0.807185 0.624264 -0.000001 Re\n0.624264 0.807185 -0.000001 Re\n0.375736 0.375736 0.182920 Re\n0.683187 0.683187 0.281996 Re\n0.718002 0.401190 0.401190 Re\n0.375736 0.182921 0.375736 Re\n-0.000000 0.598809 0.316812 Re\n0.598810 -0.000000 0.316812 Re\n0.316813 0.000000 0.598809 Re\n0.683187 0.281997 0.683186 Re\n0.281996 0.683187 0.683186 Re\n-0.000000 0.316813 0.598809 Re\n0.316813 0.598809 -0.000001 Re\n0.598810 0.316813 -0.000001 Re\n0.401190 0.401190 0.718002 Re\n0.401190 0.718002 0.401190 Re\n0.192815 0.192815 0.817078 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Ti",
"Re"
],
"chemical_system": "Re-Ti",
"density": 17.30118142678684,
"density_atomic": 0.0641741694867557,
"volume": 451.8952131664912,
"volume_molar": 9.384057180892468,
"formula_full": "Ti5 Re24",
"formula_reduced": "Ti5Re24",
"formula_anonymous": "A5B24",
"energy_above_hull": 8.22303840229885,
"spacegroup": 217
},
{
"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
}
]
}