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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=161",
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"results": [
{
"id": "jvasp-59220",
"created_at": "2022-09-04T14:38:35.099386Z",
"updated_at": "2022-09-04T14:38:35.099395Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n6.323501 0.036644 -0.004064\n0.925084 6.325099 0.037914\n2.655700 0.243835 6.217075\nLi V P O\n2 2 4 14\ndirect\n0.706312 0.005373 0.828655 Li\n0.293686 0.994625 0.171346 Li\n0.908479 0.356141 0.214705 V\n0.091520 0.643858 0.785296 V\n0.216053 0.129170 0.764798 P\n0.347878 0.395668 0.348901 P\n0.652121 0.604331 0.651100 P\n0.783946 0.870829 0.235202 P\n0.639144 0.788142 0.473693 O\n0.779314 0.687149 0.772512 O\n0.612445 0.958776 0.137363 O\n0.400460 0.587007 0.794735 O\n0.221686 0.597465 0.468777 O\n0.778313 0.402534 0.531223 O\n0.360855 0.211857 0.526308 O\n0.053488 0.328983 0.881785 O\n0.220685 0.312850 0.227488 O\n0.064988 0.969599 0.748454 O\n0.935011 0.030400 0.251547 O\n0.599539 0.412992 0.205265 O\n0.387554 0.041223 0.862638 O\n0.946511 0.671015 0.118216 O\n",
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"elements": [
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"formula_anonymous": "ABC2D7",
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"spacegroup": 2
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{
"id": "jvasp-25988",
"created_at": "2022-09-04T14:38:35.106471Z",
"updated_at": "2022-09-04T14:38:35.106496Z",
"structure_string": "V2 Hg2 O6\n1.0\n3.604885 0.060417 0.002872\n-0.161208 4.836641 0.003324\n-1.744530 -0.506706 8.532965\nV Hg O\n2 2 6\ndirect\n0.676528 0.376681 0.864525 V\n0.323469 0.623318 0.135474 V\n0.139493 0.184176 0.423338 Hg\n0.860505 0.815823 0.576661 Hg\n0.603094 0.478865 0.671991 O\n0.396904 0.521135 0.328007 O\n0.658678 0.038558 0.846732 O\n0.341320 0.961441 0.153267 O\n0.204798 0.477732 0.910209 O\n0.795199 0.522267 0.089790 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Hg",
"O"
],
"chemical_system": "Hg-O-V",
"density": 6.681179682296664,
"density_atomic": 0.06716363102481482,
"volume": 148.8901038763869,
"volume_molar": 8.966371633146235,
"formula_full": "V2 Hg2 O6",
"formula_reduced": "VHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.75589786,
"spacegroup": 2
},
{
"id": "jvasp-119545",
"created_at": "2022-09-04T14:38:35.298278Z",
"updated_at": "2022-09-04T14:38:35.298304Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.499597 0.019473 0.630674\n-1.258904 5.808342 -1.355900\n-0.183575 0.157725 9.293835\nLi Fe P O\n4 4 4 16\ndirect\n0.320095 0.333939 0.030771 Li\n0.679924 0.666064 0.969225 Li\n0.845556 0.516875 0.272207 Li\n0.154442 0.483103 0.727794 Li\n0.221782 -0.001347 0.743852 Fe\n0.783630 0.851749 0.661987 Fe\n0.778218 0.001337 0.256152 Fe\n0.216372 0.148262 0.338005 Fe\n0.662804 0.297972 0.567694 P\n0.337188 0.702038 0.432305 P\n0.805604 0.189487 0.948782 P\n0.194404 0.810507 0.051219 P\n0.812887 0.540757 0.629524 O\n0.187101 0.459257 0.370467 O\n0.395226 0.253780 0.637717 O\n0.604771 0.746218 0.362287 O\n0.819991 0.133564 0.596926 O\n0.180015 0.866457 0.403074 O\n0.696755 0.934159 0.878206 O\n0.641488 0.343737 0.921201 O\n0.162158 0.785201 0.883156 O\n0.837835 0.214784 0.116845 O\n0.074596 0.253647 0.875308 O\n0.925416 0.746341 0.124694 O\n0.640621 0.263080 0.396984 O\n0.358538 0.656270 0.078800 O\n0.303245 0.065841 0.121790 O\n0.359367 0.736918 0.603015 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Fe",
"P",
"O"
],
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"density": 3.506457972277581,
"density_atomic": 0.09369748740958282,
"volume": 298.83405386958464,
"volume_molar": 6.427216915300219,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-33312",
"created_at": "2022-09-04T14:38:35.381871Z",
"updated_at": "2022-09-04T14:38:35.381905Z",
"structure_string": "B6 H14 C2 O2\n1.0\n7.782414 -0.065746 1.959358\n-1.109224 5.305745 -1.221220\n-0.013989 -0.023699 5.583632\nB H C O\n6 14 2 2\ndirect\n0.638776 0.823674 0.735081 B\n0.769884 0.577350 0.610990 B\n0.762134 0.773141 0.409051 B\n0.355554 0.163989 0.259415 B\n0.224469 0.410331 0.383524 B\n0.232186 0.214509 0.585447 B\n0.326623 0.304206 0.734170 H\n0.130361 0.017306 0.612680 H\n0.127262 0.369071 0.603837 H\n0.313977 0.619734 0.409421 H\n0.116567 0.364926 0.253755 H\n0.452746 0.079395 0.338769 H\n0.444439 0.301704 0.113852 H\n0.863943 0.970355 0.381790 H\n0.867086 0.618622 0.390676 H\n0.680389 0.367936 0.585121 H\n0.877793 0.622783 0.740750 H\n0.541571 0.908240 0.655722 H\n0.549904 0.685946 0.880636 H\n0.667689 0.683415 0.260342 H\n0.748146 0.044657 0.885102 C\n0.246175 0.943022 0.109386 C\n0.162113 0.779465 0.998832 O\n0.832210 0.208223 0.995650 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
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"density_atomic": 0.1042934388501453,
"volume": 230.11994104906785,
"volume_molar": 5.774227819501619,
"formula_full": "B6 H14 C2 O2",
"formula_reduced": "B3H7CO",
"formula_anonymous": "ABC3D7",
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"spacegroup": 2
},
{
"id": "jvasp-21780",
"created_at": "2022-09-04T14:38:35.728872Z",
"updated_at": "2022-09-04T14:38:35.728903Z",
"structure_string": "Dy4 B4 O12\n1.0\n6.129556 -0.060506 -0.101793\n-1.924583 6.094596 0.003779\n-1.961805 -0.887005 6.014136\nDy B O\n4 4 12\ndirect\n0.558134 0.273177 0.848121 Dy\n0.441866 0.726823 0.151881 Dy\n0.938565 0.819050 0.719540 Dy\n0.061436 0.180950 0.280461 Dy\n0.990389 0.281509 0.769248 B\n0.009612 0.718491 0.230753 B\n0.474300 0.760989 0.710635 B\n0.525701 0.239010 0.289366 B\n0.871503 0.128421 0.883613 O\n0.128498 0.871578 0.116388 O\n0.347599 0.877457 0.780936 O\n0.652402 0.122543 0.219065 O\n0.120685 0.204529 0.661387 O\n0.589204 0.644936 0.866510 O\n0.528686 0.770839 0.520014 O\n0.471314 0.229161 0.479987 O\n0.041648 0.518301 0.232927 O\n0.410796 0.355064 0.133491 O\n0.879316 0.795470 0.338615 O\n0.958353 0.481699 0.767074 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Dy-O",
"density": 6.603613697802534,
"density_atomic": 0.08984690023409307,
"volume": 222.60089049138784,
"volume_molar": 6.702669479202415,
"formula_full": "Dy4 B4 O12",
"formula_reduced": "DyBO3",
"formula_anonymous": "ABC3",
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"spacegroup": 2
},
{
"id": "jvasp-40985",
"created_at": "2022-09-04T14:38:35.958617Z",
"updated_at": "2022-09-04T14:38:35.958645Z",
"structure_string": "Cu3 Mo2 H2 O10\n1.0\n5.384636 -0.014453 -0.005247\n-0.738068 5.578235 0.000224\n-2.155794 -2.031258 6.971798\nCu Mo H O\n3 2 2 10\ndirect\n0.227664 0.088544 0.191242 Cu\n0.772337 0.911456 0.808757 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.682051 0.724223 0.307636 Mo\n0.317950 0.275778 0.692363 Mo\n0.767214 0.172458 0.136771 H\n0.232786 0.827543 0.863228 H\n0.029679 0.295622 0.765732 O\n0.427730 0.997520 0.732233 O\n0.769622 0.739134 0.554125 O\n0.230379 0.260866 0.445874 O\n0.429179 0.459437 0.168626 O\n0.970321 0.704379 0.234268 O\n0.570822 0.540564 0.831373 O\n0.888486 0.177715 0.059865 O\n0.572271 0.002481 0.267766 O\n0.111514 0.822286 0.940135 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
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"H",
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],
"chemical_system": "Cu-H-Mo-O",
"density": 4.320834976221787,
"density_atomic": 0.08123578528633423,
"volume": 209.26738062640234,
"volume_molar": 7.413162485933482,
"formula_full": "Cu3 Mo2 H2 O10",
"formula_reduced": "Cu3Mo2(HO5)2",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.8622316558823524,
"spacegroup": 2
},
{
"id": "jvasp-119694",
"created_at": "2022-09-04T14:38:36.837384Z",
"updated_at": "2022-09-04T14:38:36.837401Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.944620 0.073680 -0.182057\n-0.918849 4.729979 -1.227666\n0.213817 -0.206145 5.701328\nLi Mn Co O\n4 2 2 8\ndirect\n0.750001 0.500037 0.124959 Li\n0.750000 0.499982 0.624986 Li\n0.253863 0.493915 0.369050 Li\n0.246124 0.506085 0.880991 Li\n0.499779 -0.000052 0.749661 Mn\n0.000219 0.000052 0.500340 Mn\n-0.000200 0.000098 0.000762 Co\n0.500211 -0.000097 0.249242 Co\n0.870923 0.226932 0.805566 O\n0.629075 0.773078 0.444433 O\n0.873428 0.221182 0.307967 O\n0.626569 0.778813 0.942030 O\n0.373333 0.221708 0.052869 O\n0.126682 0.778288 0.197130 O\n0.371084 0.226158 0.557876 O\n0.128916 0.773829 0.692130 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.80229687426271,
"density_atomic": 0.12065702662105568,
"volume": 132.60727906258435,
"volume_molar": 4.9911231269717735,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.469319017672414,
"spacegroup": 2
},
{
"id": "jvasp-119657",
"created_at": "2022-09-04T14:38:36.651844Z",
"updated_at": "2022-09-04T14:38:36.651870Z",
"structure_string": "K1 Mn8 O16\n1.0\n5.594076 0.000643 -1.164991\n-1.401186 6.925089 0.289671\n0.013291 0.006060 7.073831\nK Mn O\n1 8 16\ndirect\n0.000000 0.000000 0.000000 K\n0.575255 0.818875 0.481713 Mn\n0.075783 0.818267 0.485138 Mn\n0.924216 0.181733 0.514862 Mn\n0.424745 0.181125 0.518287 Mn\n0.166978 0.485426 0.181710 Mn\n0.665571 0.481817 0.181095 Mn\n0.334429 0.518183 0.818905 Mn\n0.833022 0.514574 0.818290 Mn\n0.167150 0.291333 0.374842 O\n0.667392 0.293784 0.378213 O\n0.021710 0.374770 0.708831 O\n0.520182 0.377274 0.707127 O\n0.479818 0.622726 0.292873 O\n0.978290 0.625230 0.291168 O\n0.349411 0.356139 0.046259 O\n0.326456 0.953977 0.356091 O\n0.148446 0.645021 0.953220 O\n0.650589 0.643861 0.953741 O\n0.832850 0.708666 0.625158 O\n0.828243 0.953683 0.355031 O\n0.171757 0.046317 0.644969 O\n0.673544 0.046023 0.643909 O\n0.851554 0.354978 0.046780 O\n0.332608 0.706216 0.621787 O\n",
"nsites": 25,
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"elements": [
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],
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"density": 4.449460965115372,
"density_atomic": 0.09119089774449439,
"volume": 274.1501686938855,
"volume_molar": 6.603883621009295,
"formula_full": "K1 Mn8 O16",
"formula_reduced": "KMn8O16",
"formula_anonymous": "AB8C16",
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"spacegroup": 2
},
{
"id": "jvasp-119704",
"created_at": "2022-09-04T14:38:36.844203Z",
"updated_at": "2022-09-04T14:38:36.844230Z",
"structure_string": "Co2 P2 O8 F2\n1.0\n4.818226 -0.095904 -1.476706\n-1.148590 4.527606 -1.578502\n0.042640 0.007834 6.908938\nCo P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.354404 0.682772 0.236087 P\n0.645597 0.317229 0.763914 P\n0.660738 0.086793 0.872414 O\n0.785539 0.630021 0.947524 O\n0.784534 0.260565 0.586877 O\n0.328681 0.313475 0.658397 O\n0.214462 0.369980 0.052477 O\n0.215467 0.739436 0.413123 O\n0.671320 0.686526 0.341604 O\n0.339263 0.913208 0.127586 O\n0.049260 0.864010 0.730791 F\n0.950741 0.135991 0.269209 F\n",
"nsites": 14,
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"elements": [
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"O",
"F"
],
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"density": 3.819960250357787,
"density_atomic": 0.09313337848362915,
"volume": 150.3220459511291,
"volume_molar": 6.466146571777768,
"formula_full": "Co2 P2 O8 F2",
"formula_reduced": "CoPO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.328647240357143,
"spacegroup": 2
},
{
"id": "jvasp-120434",
"created_at": "2022-09-04T14:38:37.416850Z",
"updated_at": "2022-09-04T14:38:37.416870Z",
"structure_string": "Y6 Ni1 I10\n1.0\n7.524430 -0.023530 -0.933395\n-2.834599 8.633038 -2.854712\n-0.009466 -0.026503 9.534660\nY Ni I\n6 1 10\ndirect\n0.888311 0.962301 0.240913 Y\n0.111688 0.037700 0.759087 Y\n0.027310 0.714717 0.913995 Y\n0.972689 0.285284 0.086005 Y\n0.651673 0.874977 0.835531 Y\n0.348326 0.125023 0.164469 Y\n0.000000 0.000000 0.000000 Ni\n0.548818 0.190167 0.905006 I\n0.451181 0.809833 0.094994 I\n0.912250 0.626784 0.186552 I\n0.087750 0.373217 0.813447 I\n0.365078 0.462466 0.277357 I\n0.729425 0.909536 0.531678 I\n0.213566 0.732432 0.642433 I\n0.634921 0.537534 0.722643 I\n0.270575 0.090464 0.468322 I\n0.786434 0.267569 0.357567 I\n",
"nsites": 17,
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"elements": [
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],
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"density": 5.000836581538531,
"density_atomic": 0.02750778976278099,
"volume": 618.0067590527248,
"volume_molar": 21.892492315570074,
"formula_full": "Y6 Ni1 I10",
"formula_reduced": "Y6NiI10",
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"spacegroup": 2
},
{
"id": "jvasp-118212",
"created_at": "2022-09-04T14:38:37.449855Z",
"updated_at": "2022-09-04T14:38:37.449882Z",
"structure_string": "Cu1 F3\n1.0\n5.956960 0.982130 0.534512\n-3.591227 -2.798331 -0.317753\n-0.578067 -1.229114 -3.522043\nCu F\n1 3\ndirect\n0.908274 0.930730 -0.018655 Cu\n0.539079 0.862705 0.837769 F\n0.908232 0.930616 0.481359 F\n0.277504 -0.001225 0.124851 F\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.385986993006607,
"density_atomic": 0.08764813673329092,
"volume": 45.637022634854276,
"volume_molar": 6.870814354359964,
"formula_full": "Cu1 F3",
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"spacegroup": 2
},
{
"id": "jvasp-120450",
"created_at": "2022-09-04T14:38:38.002723Z",
"updated_at": "2022-09-04T14:38:38.002742Z",
"structure_string": "Dy4 Mo4 Br4 O16\n1.0\n6.561581 -0.042048 -2.046664\n-1.013001 6.884378 -1.848995\n-0.028287 0.097704 10.877549\nDy Mo Br O\n4 4 4 16\ndirect\n0.647933 0.121983 0.732747 Dy\n0.352067 0.878017 0.267254 Dy\n0.387616 0.657209 0.766996 Dy\n0.612384 0.342790 0.233005 Dy\n0.731682 0.811935 0.132828 Mo\n0.268317 0.188065 0.867173 Mo\n0.776097 0.597527 0.627414 Mo\n0.223902 0.402472 0.372586 Mo\n0.814984 0.289577 0.022273 Br\n0.185016 0.710423 0.977728 Br\n0.742357 0.010584 0.481219 Br\n0.257643 0.989416 0.518782 Br\n0.330467 0.488340 0.549490 O\n0.669533 0.511660 0.450511 O\n0.273362 0.586114 0.299590 O\n0.726638 0.413886 0.700411 O\n0.956983 0.340031 0.331251 O\n0.043017 0.659968 0.668749 O\n0.599350 0.014147 0.176871 O\n0.331509 0.273923 0.042128 O\n0.375884 0.354605 0.797518 O\n0.624115 0.645395 0.202483 O\n-0.000233 0.128546 0.793630 O\n0.000233 0.871453 0.206370 O\n0.655518 0.794536 0.702142 O\n0.668490 0.726076 0.957873 O\n0.400650 0.985853 0.823130 O\n0.344481 0.205464 0.297859 O\n",
"nsites": 28,
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"elements": [
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"Br",
"O"
],
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"density": 5.432966311701586,
"density_atomic": 0.05692342407371786,
"volume": 491.88889206206227,
"volume_molar": 10.57937195099352,
"formula_full": "Dy4 Mo4 Br4 O16",
"formula_reduced": "DyMoBrO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.389277215,
"spacegroup": 2
}
]
}