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=689",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=687",
"results": [
{
"id": "jvasp-62704",
"created_at": "2022-09-04T14:36:17.397381Z",
"updated_at": "2022-09-04T14:36:17.397409Z",
"structure_string": "Er1 Co12 B6\n1.0\n3.658391 -4.688300 0.001856\n3.658391 4.688300 0.001856\n-2.352528 0.000000 5.461647\nEr Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.453954 0.186011 0.453954 Co\n0.186011 0.453954 0.453954 Co\n0.546046 0.813990 0.546047 Co\n0.546046 0.546046 0.813991 Co\n0.813990 0.546046 0.546047 Co\n0.500000 0.132110 0.867891 Co\n0.867891 0.500000 0.132111 Co\n0.453954 0.453954 0.186011 Co\n0.132110 0.867890 0.500001 Co\n0.132110 0.500000 0.867891 Co\n0.867890 0.132110 0.500001 Co\n0.500000 0.867891 0.132111 Co\n0.232996 0.232996 0.679586 B\n0.232996 0.679585 0.232997 B\n0.679585 0.232996 0.232997 B\n0.767004 0.320415 0.767005 B\n0.767004 0.767004 0.320416 B\n0.320415 0.767004 0.767005 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Er",
"Co",
"B"
],
"chemical_system": "B-Co-Er",
"density": 8.323580440192439,
"density_atomic": 0.10139103836720767,
"volume": 187.3932874736695,
"volume_molar": 5.939519761292539,
"formula_full": "Er1 Co12 B6",
"formula_reduced": "Er(Co2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 4.4720577,
"spacegroup": 166
},
{
"id": "jvasp-91334",
"created_at": "2022-09-04T14:36:17.959308Z",
"updated_at": "2022-09-04T14:36:17.959339Z",
"structure_string": "Cu4 Bi5 S10\n1.0\n3.903982 -0.000000 -0.000000\n-1.951991 8.366186 -2.713180\n-0.000000 0.024426 12.935025\nCu Bi S\n4 5 10\ndirect\n0.711494 0.422987 0.057341 Cu\n0.288507 0.577014 0.942659 Cu\n0.902970 0.805941 0.485405 Cu\n0.097030 0.194060 0.514595 Cu\n0.000000 0.000000 0.000000 Bi\n0.804084 0.608168 0.663995 Bi\n0.410885 0.821770 0.224196 Bi\n0.589115 0.178231 0.775804 Bi\n0.195916 0.391833 0.336005 Bi\n0.021963 0.043925 0.633719 S\n0.760246 0.520491 0.241462 S\n0.239754 0.479510 0.758538 S\n0.335180 0.670361 0.497142 S\n0.664820 0.329640 0.502858 S\n0.846805 0.693612 0.028178 S\n0.153195 0.306389 0.971822 S\n0.978037 0.956076 0.366281 S\n0.455932 0.911864 0.832283 S\n0.544068 0.088137 0.167717 S\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Cu",
"Bi",
"S"
],
"chemical_system": "Bi-Cu-S",
"density": 6.362456944085118,
"density_atomic": 0.044945387080935456,
"volume": 422.7352623704348,
"volume_molar": 13.398796074790997,
"formula_full": "Cu4 Bi5 S10",
"formula_reduced": "Cu4(BiS2)5",
"formula_anonymous": "A4B5C10",
"energy_above_hull": 1.424574910526316,
"spacegroup": 12
},
{
"id": "jvasp-103967",
"created_at": "2022-09-04T14:36:30.893046Z",
"updated_at": "2022-09-04T14:36:30.893083Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n4.021440 0.085083 0.140409\n0.859958 3.987264 0.730895\n0.061545 0.236442 10.197469\nCd H C O\n1 8 6 4\ndirect\n0.698199 0.971888 0.205013 Cd\n0.505777 -0.004498 0.502602 H\n0.382166 0.401564 0.546542 H\n0.977676 0.846499 0.615747 H\n0.526866 0.699202 0.746026 H\n0.014183 0.542302 0.863459 H\n0.890570 0.948320 0.907444 H\n0.869480 0.244756 0.663995 H\n0.418614 0.097428 0.794303 H\n0.323374 0.614636 0.013305 C\n0.109437 0.751855 0.887113 C\n0.310347 0.898664 0.767555 C\n0.072995 0.329155 0.396715 C\n0.286909 0.191988 0.522912 C\n0.085977 0.045259 0.642478 C\n0.257124 0.765675 0.112816 O\n0.829294 0.589458 0.395311 O\n0.139293 0.178126 0.297204 O\n0.567023 0.354288 0.014710 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6284463261687443,
"density_atomic": 0.11723431655739829,
"volume": 162.0685867239013,
"volume_molar": 5.136841273818952,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.253316513157895,
"spacegroup": 2
},
{
"id": "jvasp-101937",
"created_at": "2022-09-04T14:36:39.147011Z",
"updated_at": "2022-09-04T14:36:39.147020Z",
"structure_string": "Zr1 H8 C6 O4\n1.0\n3.752143 0.189639 0.303630\n0.964420 4.501384 0.737851\n-0.199060 0.445405 9.417465\nZr H C O\n1 8 6 4\ndirect\n0.040181 0.845017 0.303936 Zr\n0.793818 0.207648 0.922546 H\n0.329667 0.311064 0.876293 H\n0.824053 0.740306 0.858088 H\n0.342157 0.872416 0.857847 H\n0.070692 0.335562 0.672287 H\n0.668989 0.229010 0.649129 H\n0.277170 0.728247 0.634014 H\n0.641459 0.896190 0.605693 H\n0.539875 0.390237 0.922573 C\n0.571391 0.690903 0.829309 C\n0.561854 0.696703 0.666067 C\n0.883020 0.451259 0.454610 C\n0.803440 0.414150 0.616959 C\n0.417631 0.392244 0.078146 C\n0.195405 0.629230 0.110785 O\n-0.030841 0.169260 0.413791 O\n0.591759 0.656399 0.366391 O\n0.521367 0.142201 0.169419 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.4975092822792333,
"density_atomic": 0.12142235915417349,
"volume": 156.47859366556327,
"volume_molar": 4.9596637735835065,
"formula_full": "Zr1 H8 C6 O4",
"formula_reduced": "ZrH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.656166236842105,
"spacegroup": 1
},
{
"id": "jvasp-9148",
"created_at": "2022-09-04T14:36:35.204505Z",
"updated_at": "2022-09-04T14:36:35.204531Z",
"structure_string": "Nd2 Co17\n1.0\n6.254643 0.014084 0.737274\n0.657110 6.220046 0.737274\n0.015615 0.014084 6.297928\nNd Co\n2 17\ndirect\n0.655254 0.655253 0.655253 Nd\n0.344746 0.344746 0.344746 Nd\n0.343240 0.343239 0.851683 Co\n0.343240 0.851683 0.343239 Co\n0.851683 0.343239 0.343239 Co\n0.148317 0.656760 0.656760 Co\n0.656760 0.656760 0.148316 Co\n0.656761 0.148316 0.656760 Co\n0.285280 -0.000001 0.714721 Co\n0.096089 0.096089 0.096089 Co\n0.714721 -0.000001 0.285279 Co\n0.000001 0.285279 0.714721 Co\n0.285279 0.714721 -0.000001 Co\n-0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.000000 -0.000000 0.500000 Co\n0.903911 0.903910 0.903910 Co\n0.714721 0.285279 -0.000001 Co\n0.000000 0.714721 0.285279 Co\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Nd",
"Co"
],
"chemical_system": "Co-Nd",
"density": 8.751758947591584,
"density_atomic": 0.07760556975391485,
"volume": 244.82778826633813,
"volume_molar": 7.75993369947034,
"formula_full": "Nd2 Co17",
"formula_reduced": "Nd2Co17",
"formula_anonymous": "A2B17",
"energy_above_hull": 3.9210162263157895,
"spacegroup": 166
},
{
"id": "jvasp-24595",
"created_at": "2022-09-04T14:36:35.019354Z",
"updated_at": "2022-09-04T14:36:35.019382Z",
"structure_string": "Y6 U1 O12\n1.0\n6.478989 -0.000955 -1.032444\n-1.209846 6.365027 -1.032444\n-0.000790 -0.000955 6.560734\nY U O\n6 1 12\ndirect\n0.609407 0.144790 0.320671 Y\n0.320670 0.609407 0.144790 Y\n0.855211 0.679331 0.390594 Y\n0.390593 0.855212 0.679330 Y\n0.679330 0.390595 0.855211 Y\n0.144789 0.320671 0.609407 Y\n0.000000 0.000000 0.000000 U\n0.922420 0.690396 0.046850 O\n0.690395 0.046850 0.922420 O\n0.427380 0.177218 0.587663 O\n0.309605 0.953152 0.077581 O\n0.046848 0.922421 0.690395 O\n0.412337 0.572622 0.822783 O\n0.822783 0.412338 0.572621 O\n0.572620 0.822784 0.412338 O\n0.587663 0.427380 0.177218 O\n0.177217 0.587664 0.427380 O\n0.077580 0.309606 0.953151 O\n0.953152 0.077581 0.309606 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Y",
"U",
"O"
],
"chemical_system": "O-U-Y",
"density": 5.913629313803035,
"density_atomic": 0.07023059546460943,
"volume": 270.5373615915655,
"volume_molar": 8.574810907070658,
"formula_full": "Y6 U1 O12",
"formula_reduced": "Y6UO12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 3.2731953,
"spacegroup": 148
},
{
"id": "jvasp-103914",
"created_at": "2022-09-04T14:36:39.940491Z",
"updated_at": "2022-09-04T14:36:39.940507Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n3.589873 0.089541 -0.091210\n1.465503 4.300707 0.081731\n0.313855 0.098992 9.794848\nZn H C O\n1 8 6 4\ndirect\n0.007379 0.776940 0.202439 Zn\n0.814945 0.547226 0.547970 H\n0.318347 0.629683 0.509670 H\n0.874401 0.014198 0.648525 H\n0.644204 0.476864 0.802485 H\n0.708602 0.925035 0.895583 H\n0.212487 0.006543 0.856861 H\n0.382337 0.077644 0.602745 H\n0.152139 0.540235 0.756661 H\n0.310029 0.250850 0.023631 C\n0.425772 0.120428 0.883297 C\n0.444457 0.355767 0.770516 C\n0.714831 0.303183 0.381423 C\n0.600874 0.433891 0.521810 C\n0.582136 0.198737 0.634673 C\n0.137099 0.546426 0.030889 O\n0.637656 0.495654 0.277747 O\n0.886563 0.007482 0.374143 O\n0.386071 0.058230 0.127252 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.319283931035777,
"density_atomic": 0.12664943466000017,
"volume": 150.02040910018204,
"volume_molar": 4.754968528810954,
"formula_full": "Zn1 H8 C6 O4",
"formula_reduced": "ZnH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.2734676,
"spacegroup": 2
},
{
"id": "jvasp-62634",
"created_at": "2022-09-04T14:36:17.413495Z",
"updated_at": "2022-09-04T14:36:17.413526Z",
"structure_string": "Pr1 Co12 B6\n1.0\n3.685388 -4.720827 0.003801\n3.685388 4.720827 0.003801\n-2.367463 -0.000000 5.501220\nPr Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.458460 0.458460 0.187431 Co\n0.458460 0.187431 0.458460 Co\n0.541541 0.541541 0.812569 Co\n0.812569 0.541541 0.541540 Co\n0.541541 0.812569 0.541540 Co\n0.866549 0.500000 0.133451 Co\n0.133452 0.866549 0.500000 Co\n0.187431 0.458460 0.458460 Co\n0.500001 0.133452 0.866548 Co\n0.866549 0.133452 0.500000 Co\n0.500000 0.866549 0.133451 Co\n0.133452 0.500001 0.866548 Co\n0.671371 0.230771 0.230771 B\n0.230771 0.230771 0.671370 B\n0.230771 0.671371 0.230771 B\n0.769229 0.769229 0.328629 B\n0.328630 0.769230 0.769229 B\n0.769230 0.328630 0.769229 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Pr",
"Co",
"B"
],
"chemical_system": "B-Co-Pr",
"density": 7.916323243435988,
"density_atomic": 0.09921345395404915,
"volume": 191.50628511330606,
"volume_molar": 6.069883186194852,
"formula_full": "Pr1 Co12 B6",
"formula_reduced": "Pr(Co2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 4.493891902631579,
"spacegroup": 166
},
{
"id": "jvasp-85945",
"created_at": "2022-09-04T14:36:17.683225Z",
"updated_at": "2022-09-04T14:36:17.683240Z",
"structure_string": "Na2 Si4 Cu2 O11\n1.0\n5.183364 -0.010439 -0.685863\n-1.265918 6.180063 -0.751710\n-0.025301 -0.055258 8.353931\nNa Si Cu O\n2 4 2 11\ndirect\n0.872860 0.352861 0.193295 Na\n0.127139 0.647138 0.806705 Na\n0.408590 0.654635 0.187102 Si\n0.009537 0.134169 0.679824 Si\n0.591409 0.345364 0.812898 Si\n0.299759 0.110587 0.070616 Si\n0.990462 0.865829 0.320176 Cu\n0.700240 0.889412 0.929384 Cu\n0.768318 0.269246 0.672445 O\n0.726921 0.588699 0.896817 O\n0.231681 0.730754 0.327554 O\n0.001230 0.024801 0.183758 O\n0.715700 0.674787 0.279846 O\n0.402365 0.824840 0.053049 O\n0.597634 0.175158 0.946952 O\n0.000000 0.000000 0.500000 O\n0.284299 0.325213 0.720153 O\n-0.001230 0.975197 0.816242 O\n0.273078 0.411300 0.103184 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Na",
"Si",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O-Si",
"density": 2.868264742145006,
"density_atomic": 0.0711278394309284,
"volume": 267.124661061169,
"volume_molar": 8.466643733566581,
"formula_full": "Na2 Si4 Cu2 O11",
"formula_reduced": "Na2Cu2Si4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.3215416736842105,
"spacegroup": 1
},
{
"id": "jvasp-91455",
"created_at": "2022-09-04T14:36:21.177444Z",
"updated_at": "2022-09-04T14:36:21.177469Z",
"structure_string": "Ba2 Nd2 Ti2 Cu2 O11\n1.0\n3.934199 0.000000 -0.000000\n-0.000000 3.934199 0.000000\n-0.000000 -0.000000 15.930255\nBa Nd Ti Cu O\n2 2 2 2 11\ndirect\n0.500000 0.500000 0.233793 Ba\n0.500000 0.500000 0.766206 Ba\n0.500000 0.500000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.626034 Ti\n0.000000 0.000000 0.373966 Ti\n0.000000 0.000000 0.106861 Cu\n0.000000 0.000000 0.893138 Cu\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.742831 O\n0.000000 0.000000 0.257169 O\n0.000000 0.500000 0.387102 O\n0.000000 0.500000 0.612898 O\n0.000000 0.500000 0.096104 O\n0.500000 0.000000 0.903895 O\n0.500000 0.000000 0.387102 O\n0.500000 0.000000 0.612898 O\n0.500000 0.000000 0.096104 O\n0.000000 0.500000 0.903895 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Ti",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Nd-O-Ti",
"density": 6.478426893305541,
"density_atomic": 0.0770580874681581,
"volume": 246.5672406916557,
"volume_molar": 7.81506647499974,
"formula_full": "Ba2 Nd2 Ti2 Cu2 O11",
"formula_reduced": "Ba2Nd2Ti2Cu2O11",
"formula_anonymous": "A2B2C2D2E11",
"energy_above_hull": 2.2453037371929825,
"spacegroup": 123
},
{
"id": "jvasp-86544",
"created_at": "2022-09-04T14:36:16.443940Z",
"updated_at": "2022-09-04T14:36:16.443960Z",
"structure_string": "Na2 Si4 Cu2 O11\n1.0\n5.183654 -0.010741 -0.685371\n-1.266495 6.179721 -0.752270\n-0.024380 -0.055703 8.354892\nNa Si Cu O\n2 4 2 11\ndirect\n0.872841 0.352955 0.193250 Na\n0.127158 0.647046 0.806749 Na\n0.408477 0.654653 0.187043 Si\n0.009663 0.134143 0.679848 Si\n0.591522 0.345348 0.812957 Si\n0.299727 0.110590 0.070608 Si\n0.990335 0.865857 0.320152 Cu\n0.700272 0.889411 0.929391 Cu\n0.768562 0.269311 0.672556 O\n0.726989 0.588697 0.896945 O\n0.231437 0.730689 0.327443 O\n0.001178 0.024870 0.183786 O\n0.715511 0.674847 0.279836 O\n0.402324 0.824879 0.053044 O\n0.597674 0.175121 0.946956 O\n0.000000 0.000000 0.500000 O\n0.284487 0.325153 0.720163 O\n-0.001179 0.975130 0.816214 O\n0.273009 0.411303 0.103055 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Na",
"Si",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O-Si",
"density": 2.867949183856907,
"density_atomic": 0.0711200141493506,
"volume": 267.15405258638424,
"volume_molar": 8.467575311998147,
"formula_full": "Na2 Si4 Cu2 O11",
"formula_reduced": "Na2Cu2Si4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.3215416736842105,
"spacegroup": 1
},
{
"id": "jvasp-117350",
"created_at": "2022-09-04T14:38:26.172044Z",
"updated_at": "2022-09-04T14:38:26.172061Z",
"structure_string": "Pr12 Co6 Pb1\n1.0\n8.215895 -0.000000 -2.904758\n-4.107948 7.115174 -2.904758\n-0.000000 -0.000000 8.714273\nPr Co Pb\n12 6 1\ndirect\n0.807024 0.693588 0.500611 Pr\n0.886564 0.192976 0.693587 Pr\n0.113436 0.807024 0.306411 Pr\n0.500612 0.807024 0.693587 Pr\n0.306412 0.113436 0.807024 Pr\n0.693588 0.886563 0.192975 Pr\n0.499388 0.192976 0.306412 Pr\n0.693588 0.500612 0.807023 Pr\n0.807024 0.306412 0.113436 Pr\n0.192976 0.693588 0.886563 Pr\n0.192976 0.306412 0.499388 Pr\n0.306412 0.499388 0.192976 Pr\n0.500000 0.110642 0.610642 Co\n0.889358 0.389358 0.500000 Co\n0.110642 0.610641 0.499999 Co\n0.389358 0.500000 0.889358 Co\n0.610642 0.500000 0.110641 Co\n0.500000 0.889358 0.389357 Co\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Pb"
],
"chemical_system": "Co-Pb-Pr",
"density": 7.3398353346235226,
"density_atomic": 0.03729769851838921,
"volume": 509.41480988786117,
"volume_molar": 16.14614573880705,
"formula_full": "Pr12 Co6 Pb1",
"formula_reduced": "Pr12Co6Pb",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.662062337894737,
"spacegroup": 204
}
]
}