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=-density_atomic&page=585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=583",
"results": [
{
"id": "jvasp-117927",
"created_at": "2022-09-04T14:38:53.211526Z",
"updated_at": "2022-09-04T14:38:53.211561Z",
"structure_string": "Tl1 C2 N1\n1.0\n3.013461 -0.000000 0.000000\n-0.000000 3.013461 0.000000\n-0.000000 -0.000000 4.822171\nTl C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Tl\n0.000000 0.499999 -0.156857 C\n0.499999 0.000000 0.156857 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"C",
"N"
],
"chemical_system": "C-N-Tl",
"density": 9.19238869220865,
"density_atomic": 0.09134530578057519,
"volume": 43.7898802332392,
"volume_molar": 6.592720565702703,
"formula_full": "Tl1 C2 N1",
"formula_reduced": "TlC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7672614625000005,
"spacegroup": 115
},
{
"id": "jvasp-56551",
"created_at": "2022-09-04T14:38:20.285674Z",
"updated_at": "2022-09-04T14:38:20.285697Z",
"structure_string": "Ta2 N2\n1.0\n1.461221 -2.530910 0.000000\n1.461221 2.530910 0.000000\n-0.000000 -0.000000 5.920665\nTa N\n2 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.333333 0.666667 0.750001 N\n0.666667 0.333333 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.784935840675361,
"density_atomic": 0.09134123937061159,
"volume": 43.79182970980107,
"volume_molar": 6.5930140662592995,
"formula_full": "Ta2 N2",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy_above_hull": 3.408351225,
"spacegroup": 194
},
{
"id": "jvasp-85664",
"created_at": "2022-09-04T14:35:58.522485Z",
"updated_at": "2022-09-04T14:35:58.522510Z",
"structure_string": "K2 H6 C4 O6\n1.0\n3.730971 0.012133 0.067720\n-0.240307 5.456405 -1.071359\n0.188542 -0.079984 9.698053\nK H C O\n2 6 4 6\ndirect\n0.880778 0.707030 0.874189 K\n0.119220 0.292971 0.125810 K\n0.016330 0.164739 0.602551 H\n0.983668 0.835262 0.397449 H\n0.158407 0.471605 0.584326 H\n0.841592 0.528396 0.415674 H\n0.439589 0.218073 0.518632 H\n0.560409 0.781928 0.481368 H\n0.754380 0.704999 0.397595 C\n0.245619 0.295002 0.602405 C\n0.495402 0.151262 0.797453 C\n0.504597 0.848739 0.202546 C\n0.662142 0.217272 0.911004 O\n0.408702 0.350146 0.738090 O\n0.591296 0.649855 0.261909 O\n0.404573 0.938740 0.735253 O\n0.595425 0.061261 0.264746 O\n0.337856 0.782730 0.088996 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 1.9235703605877268,
"density_atomic": 0.09133917317439927,
"volume": 197.0676914890782,
"volume_molar": 6.593163207752683,
"formula_full": "K2 H6 C4 O6",
"formula_reduced": "KH3C2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.3149231666666665,
"spacegroup": 2
},
{
"id": "jvasp-98445",
"created_at": "2022-09-04T14:35:50.214715Z",
"updated_at": "2022-09-04T14:35:50.214747Z",
"structure_string": "K2 Al4 Ni2 P6 H8 O28\n1.0\n6.207349 5.041633 -2.032304\n-6.207349 5.041633 2.032304\n0.014260 0.000000 8.741808\nK Al Ni P H O\n2 4 2 6 8 28\ndirect\n0.863199 0.863199 0.250000 K\n0.136800 0.136800 0.750000 K\n0.404990 0.747780 0.927710 Al\n0.747780 0.404990 0.572290 Al\n0.595010 0.252220 0.072290 Al\n0.252220 0.595010 0.427710 Al\n0.777658 0.777658 0.750000 Ni\n0.222341 0.222341 0.250000 Ni\n0.498268 0.498268 0.250000 P\n0.501731 0.501731 0.750000 P\n0.916096 0.332964 0.324547 P\n0.667035 0.083903 0.824547 P\n0.083903 0.667035 0.675453 P\n0.332964 0.916096 0.175453 P\n0.024596 0.726794 0.999111 H\n0.975403 0.273205 0.000889 H\n0.273205 0.975403 0.499111 H\n0.726794 0.024596 0.500889 H\n0.131813 0.423362 0.953470 H\n0.423362 0.131813 0.546530 H\n0.868186 0.576637 0.046530 H\n0.576637 0.868186 0.453470 H\n0.961029 0.494333 0.656627 O\n0.494333 0.961029 0.843374 O\n0.181318 0.730773 0.533955 O\n0.730773 0.181318 0.966046 O\n0.818682 0.269227 0.466046 O\n0.269227 0.818682 0.033955 O\n0.380391 0.788740 0.336307 O\n0.788740 0.380391 0.163693 O\n0.619608 0.211260 0.663694 O\n0.211260 0.619608 0.836307 O\n0.651196 0.528909 0.388369 O\n0.528909 0.651196 0.111632 O\n0.348804 0.471090 0.611632 O\n-0.001288 0.189611 0.317789 O\n0.325630 0.473872 0.303112 O\n0.473872 0.325630 0.196888 O\n0.674369 0.526128 0.696888 O\n0.526128 0.674369 0.803113 O\n0.101136 0.303551 0.010877 O\n0.303551 0.101136 0.489123 O\n0.898863 0.696448 0.989123 O\n0.696448 0.898863 0.510877 O\n0.189611 -0.001288 0.182211 O\n0.505667 0.038971 0.156627 O\n0.810388 0.001287 0.817790 O\n0.001287 0.810388 0.682211 O\n0.471090 0.348804 0.888369 O\n0.038971 0.505667 0.343374 O\n",
"nsites": 50,
"nelements": 6,
"elements": [
"K",
"Al",
"Ni",
"P",
"H",
"O"
],
"chemical_system": "Al-H-K-Ni-O-P",
"density": 2.8676334049708743,
"density_atomic": 0.09133336731127084,
"volume": 547.44505181328,
"volume_molar": 6.593582320770131,
"formula_full": "K2 Al4 Ni2 P6 H8 O28",
"formula_reduced": "KAl2NiP3(H2O7)2",
"formula_anonymous": "ABC2D3E4F14",
"energy_above_hull": 2.79925846,
"spacegroup": 15
},
{
"id": "jvasp-48118",
"created_at": "2022-09-04T14:35:57.836409Z",
"updated_at": "2022-09-04T14:35:57.836435Z",
"structure_string": "Fe4 O4 F4\n1.0\n0.000000 4.622832 0.022939\n3.058633 0.000000 0.000000\n0.000000 -0.061978 -9.292739\nFe O F\n4 4 4\ndirect\n0.979337 0.000000 0.010212 Fe\n0.972779 0.000000 0.513986 Fe\n0.479704 0.500000 0.718306 Fe\n0.553933 0.500000 0.265288 Fe\n0.794142 0.500000 0.599906 O\n0.811056 0.500000 0.098575 O\n0.720397 0.000000 0.358732 O\n0.282264 0.000000 0.641264 O\n0.685171 0.000000 0.844204 F\n0.317948 0.000000 0.153990 F\n0.196956 0.500000 0.897644 F\n0.206311 0.500000 0.397894 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.592347767665945,
"density_atomic": 0.09133061853373103,
"volume": 131.39076678395705,
"volume_molar": 6.593780767811015,
"formula_full": "Fe4 O4 F4",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0955730941666666,
"spacegroup": 6
},
{
"id": "jvasp-119514",
"created_at": "2022-09-04T14:38:44.459557Z",
"updated_at": "2022-09-04T14:38:44.459587Z",
"structure_string": "Mg6 Cr4 N8\n1.0\n6.173331 0.007079 -0.066961\n-4.279837 5.868697 0.000000\n-0.017896 -0.013051 5.435834\nMg Cr N\n6 4 8\ndirect\n0.225375 0.990553 0.974523 Mg\n0.774624 0.765177 0.525476 Mg\n0.774624 0.009448 0.025477 Mg\n0.225375 0.234824 0.474523 Mg\n-0.000000 0.595509 0.749999 Mg\n-0.000000 0.404492 0.250000 Mg\n0.610302 0.433585 0.102515 Cr\n0.389698 0.823283 0.397484 Cr\n0.610301 0.176718 0.602515 Cr\n0.389698 0.566416 0.897484 Cr\n0.291324 0.735535 0.063883 N\n0.220037 0.945071 0.569953 N\n0.779962 0.725035 0.930045 N\n0.779963 0.054930 0.430046 N\n0.220037 0.274966 0.069954 N\n0.708675 0.264466 0.936116 N\n0.291324 0.555790 0.563883 N\n0.708676 0.444211 0.436116 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"N"
],
"chemical_system": "Cr-Mg-N",
"density": 3.925050511402054,
"density_atomic": 0.09132838490794604,
"volume": 197.0909703280421,
"volume_molar": 6.59394203244696,
"formula_full": "Mg6 Cr4 N8",
"formula_reduced": "Mg3(CrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.560246105555556,
"spacegroup": 15
},
{
"id": "jvasp-107764",
"created_at": "2022-09-04T14:35:51.910193Z",
"updated_at": "2022-09-04T14:35:51.910208Z",
"structure_string": "Fe3 Si1\n1.0\n2.832513 -0.000000 0.000000\n0.000000 2.832513 0.000000\n0.000000 0.000000 5.458978\nFe Si\n3 1\ndirect\n0.499999 0.499999 0.756148 Fe\n0.000000 0.000000 0.500000 Fe\n0.499999 0.499999 0.243853 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.41665870651065,
"density_atomic": 0.09132818434657235,
"volume": 43.798089588869885,
"volume_molar": 6.593956513081625,
"formula_full": "Fe3 Si1",
"formula_reduced": "Fe3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 3.308008775,
"spacegroup": 123
},
{
"id": "jvasp-47051",
"created_at": "2022-09-04T14:35:41.813283Z",
"updated_at": "2022-09-04T14:35:41.813312Z",
"structure_string": "Li3 Nb4 V1 O12\n1.0\n5.152476 0.002970 -0.006837\n-0.017511 5.619601 -0.025959\n-0.013319 -0.782419 7.566809\nLi Nb V O\n3 4 1 12\ndirect\n0.507674 0.937753 0.783398 Li\n0.996092 0.446572 0.782292 Li\n0.500491 0.936371 0.278332 Li\n0.010153 0.007231 0.998438 Nb\n0.493739 0.512396 0.491805 Nb\n0.996172 0.004556 0.504725 Nb\n0.507081 0.504003 0.986154 Nb\n0.998548 0.390303 0.303347 V\n0.697674 0.219577 0.909131 O\n0.830698 0.348641 0.548483 O\n0.175008 0.360472 0.061989 O\n0.649261 0.535199 0.235883 O\n0.363555 0.532877 0.737080 O\n0.139495 0.034177 0.741592 O\n0.174092 0.702803 0.405313 O\n0.324907 0.850368 0.049903 O\n0.854083 0.047084 0.240603 O\n0.306742 0.205337 0.406287 O\n0.805270 0.721306 0.917397 O\n0.669273 0.843771 0.547441 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.817905119690178,
"density_atomic": 0.09132794244932702,
"volume": 218.99102797697353,
"volume_molar": 6.593973978272163,
"formula_full": "Li3 Nb4 V1 O12",
"formula_reduced": "Li3Nb4VO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.49473319,
"spacegroup": 1
},
{
"id": "jvasp-104762",
"created_at": "2022-09-04T14:36:58.518612Z",
"updated_at": "2022-09-04T14:36:58.518632Z",
"structure_string": "Al1 Si1 Ni6\n1.0\n3.528538 0.000000 0.000000\n0.000000 3.528538 0.000000\n0.000000 -0.000000 7.035706\nAl Si Ni\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.256390 Ni\n0.500000 0.000000 0.743611 Ni\n-0.000000 0.500000 0.256390 Ni\n-0.000000 0.500000 0.743611 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Si",
"Ni"
],
"chemical_system": "Al-Ni-Si",
"density": 7.7194942677580665,
"density_atomic": 0.09132563611594992,
"volume": 87.59862334649327,
"volume_molar": 6.594140502185058,
"formula_full": "Al1 Si1 Ni6",
"formula_reduced": "AlSiNi6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.553954475,
"spacegroup": 123
},
{
"id": "jvasp-36780",
"created_at": "2022-09-04T14:37:54.530749Z",
"updated_at": "2022-09-04T14:37:54.530767Z",
"structure_string": "Li1 Ag1 O2\n1.0\n2.351958 1.610346 0.831450\n2.843572 -1.572802 0.304173\n2.345403 1.614695 -4.460153\nLi Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.500001 -0.000000 0.000000 Ag\n0.899253 0.929923 0.271571 O\n0.100747 0.070076 0.728429 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O",
"density": 5.565653686760043,
"density_atomic": 0.09132240732021345,
"volume": 43.80086024204745,
"volume_molar": 6.594373644667435,
"formula_full": "Li1 Ag1 O2",
"formula_reduced": "LiAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.078346065,
"spacegroup": 12
},
{
"id": "jvasp-34903",
"created_at": "2022-09-04T14:37:07.196141Z",
"updated_at": "2022-09-04T14:37:07.196166Z",
"structure_string": "Li8 P4 O14\n1.0\n-5.190008 0.002372 -0.001450\n2.561606 6.626573 0.034622\n-0.004314 -2.047300 -8.287765\nLi P O\n8 4 14\ndirect\n0.252791 0.145080 0.012736 Li\n0.747208 0.854919 0.987264 Li\n0.605297 0.583303 0.241976 Li\n0.394702 0.416696 0.758023 Li\n0.975011 0.325211 0.211262 Li\n0.024987 0.674788 0.788737 Li\n0.949770 0.246190 0.552282 Li\n0.050229 0.753809 0.447718 Li\n0.782789 0.225005 0.848506 P\n0.217210 0.774994 0.151493 P\n0.430180 0.213826 0.371328 P\n0.569818 0.786174 0.628671 P\n0.319594 0.271756 0.532097 O\n0.731347 0.040726 0.682143 O\n0.268651 0.959273 0.317857 O\n0.340323 0.296980 0.237652 O\n0.659675 0.703019 0.762348 O\n0.680405 0.728243 0.467903 O\n0.484837 0.737418 0.121887 O\n0.259796 0.743125 0.620694 O\n0.119781 0.849201 0.015589 O\n0.008388 0.401980 0.795985 O\n0.991610 0.598020 0.204014 O\n0.880218 0.150798 0.984410 O\n0.740203 0.256874 0.379306 O\n0.515162 0.262581 0.878113 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"P",
"O"
],
"chemical_system": "Li-O-P",
"density": 2.352766595702992,
"density_atomic": 0.09131695736313261,
"volume": 284.72258330517894,
"volume_molar": 6.5947672085177445,
"formula_full": "Li8 P4 O14",
"formula_reduced": "Li4P2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.227340423076923,
"spacegroup": 2
},
{
"id": "jvasp-23296",
"created_at": "2022-09-04T14:37:49.608916Z",
"updated_at": "2022-09-04T14:37:49.608941Z",
"structure_string": "Ca12 Cr8 Si12 O48\n1.0\n9.843677 -0.000000 -3.480265\n-4.921838 8.524874 -3.480265\n0.000000 0.000000 10.440795\nCa Cr Si O\n12 8 12 48\ndirect\n0.375000 0.750000 0.124999 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.750000 0.624999 Ca\n0.750000 0.125000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.749999 Ca\n0.875000 0.625000 0.249999 Ca\n0.250000 0.875000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.500000 0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n-0.000000 0.500000 -0.000000 Cr\n-0.000000 -0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.124999 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.875000 0.249999 Si\n0.875000 0.250000 0.125000 Si\n0.625000 0.750000 0.374999 Si\n0.750000 0.375000 0.625000 Si\n0.250000 0.625000 0.375000 Si\n0.508534 0.394221 0.807390 O\n0.491466 0.385685 0.298854 O\n0.692610 0.086831 0.701146 O\n0.086831 0.701145 0.692610 O\n0.991466 0.798854 0.885685 O\n0.807390 0.508534 0.394221 O\n0.413169 0.105779 0.614315 O\n0.885685 0.991465 0.798854 O\n0.298854 0.491465 0.385685 O\n0.394221 0.086831 0.885686 O\n0.385685 0.586831 0.894221 O\n0.491465 0.605779 0.192610 O\n0.114314 0.008534 0.201146 O\n0.586831 0.894221 0.385685 O\n0.192610 0.491465 0.605779 O\n0.008534 0.201146 0.114314 O\n0.913169 0.298854 0.307389 O\n0.894221 0.008534 0.307390 O\n0.307389 0.913168 0.298854 O\n0.192610 0.201146 0.586831 O\n0.605779 0.192610 0.491465 O\n0.586831 0.192610 0.201146 O\n0.201146 0.114314 0.008534 O\n0.201146 0.586831 0.192610 O\n0.114314 0.605779 0.913169 O\n0.008534 0.307390 0.894221 O\n0.894221 0.385685 0.586831 O\n0.105779 0.991465 0.692610 O\n0.605779 0.913168 0.114314 O\n0.913169 0.114314 0.605779 O\n0.086831 0.885685 0.394221 O\n0.508534 0.614314 0.701145 O\n0.614314 0.701145 0.508534 O\n0.692610 0.105779 0.991466 O\n0.701146 0.692610 0.086831 O\n0.807390 0.798854 0.413168 O\n0.394221 0.807389 0.508534 O\n0.105779 0.614314 0.413168 O\n0.413168 0.807389 0.798854 O\n0.798854 0.413168 0.807390 O\n0.885686 0.394221 0.086831 O\n0.991466 0.692610 0.105778 O\n0.701146 0.508534 0.614314 O\n0.298854 0.307390 0.913169 O\n0.307389 0.894221 0.008534 O\n0.385686 0.298854 0.491465 O\n0.798854 0.885685 0.991465 O\n0.614314 0.413168 0.105779 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Si",
"O"
],
"chemical_system": "Ca-Cr-O-Si",
"density": 3.7941370894679016,
"density_atomic": 0.0913084761328316,
"volume": 876.1508612148939,
"volume_molar": 6.595379766539144,
"formula_full": "Ca12 Cr8 Si12 O48",
"formula_reduced": "Ca3Cr2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.805585193,
"spacegroup": 230
}
]
}