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=-volume_molar&page=4539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4537",
"results": [
{
"id": "jvasp-99351",
"created_at": "2022-09-04T14:36:37.529918Z",
"updated_at": "2022-09-04T14:36:37.529949Z",
"structure_string": "Yb4 Mg4 Fe3 H22\n1.0\n6.576510 -0.000000 0.000000\n0.000000 6.576510 0.000000\n-0.000000 -0.000000 6.576510\nYb Mg Fe H\n4 4 3 22\ndirect\n0.290453 0.290453 0.709547 Yb\n0.290453 0.709547 0.290453 Yb\n0.709547 0.290453 0.290453 Yb\n0.709547 0.709547 0.709547 Yb\n0.786611 0.786611 0.213389 Mg\n0.786611 0.213389 0.786611 Mg\n0.213389 0.786611 0.786611 Mg\n0.213389 0.213389 0.213389 Mg\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.240853 0.500000 0.000000 H\n0.626311 0.373689 0.626311 H\n0.626311 0.626311 0.373689 H\n0.260360 0.000000 0.000000 H\n0.000000 0.260360 0.000000 H\n0.000000 0.000000 0.739640 H\n0.739640 0.000000 0.000000 H\n0.000000 0.739640 0.000000 H\n0.000000 0.000000 0.260360 H\n0.240853 0.000000 0.500000 H\n0.759147 0.500000 0.000000 H\n0.000000 0.240853 0.500000 H\n0.500000 0.240853 0.000000 H\n0.000000 0.500000 0.759147 H\n0.373689 0.626311 0.626311 H\n0.500000 0.000000 0.240853 H\n0.000000 0.759147 0.500000 H\n0.759147 0.000000 0.500000 H\n0.500000 0.759147 0.000000 H\n0.000000 0.500000 0.240853 H\n0.500000 0.000000 0.759147 H\n0.373689 0.373689 0.373689 H\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Yb",
"Mg",
"Fe",
"H"
],
"chemical_system": "Fe-H-Mg-Yb",
"density": 5.715906498659808,
"density_atomic": 0.11601856390603356,
"volume": 284.4372390846654,
"volume_molar": 5.190669973192814,
"formula_full": "Yb4 Mg4 Fe3 H22",
"formula_reduced": "Yb4Mg4Fe3H22",
"formula_anonymous": "A3B4C4D22",
"energy_above_hull": 2.3444153181818184,
"spacegroup": 215
},
{
"id": "jvasp-51411",
"created_at": "2022-09-04T14:37:14.734499Z",
"updated_at": "2022-09-04T14:37:14.734520Z",
"structure_string": "H8 O4\n1.0\n3.578479 2.186428 0.000000\n-3.578479 2.186428 0.000000\n0.000000 0.000000 6.609635\nH O\n8 4\ndirect\n0.840255 0.159746 0.500000 H\n0.159746 0.840255 0.000000 H\n-0.022549 -0.022549 0.250000 H\n0.022549 0.022549 0.750001 H\n0.020173 0.566420 0.229333 H\n0.433581 0.979828 0.770668 H\n0.979828 0.433581 0.729333 H\n0.566420 0.020173 0.270667 H\n0.823836 0.141333 0.316156 O\n0.858668 0.176165 0.683845 O\n0.176165 0.858668 0.816156 O\n0.141333 0.823836 0.183844 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.1569350511246843,
"density_atomic": 0.11602193910599838,
"volume": 103.42871436614004,
"volume_molar": 5.190518971156079,
"formula_full": "H8 O4",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9198078333333333,
"spacegroup": 20
},
{
"id": "jvasp-48462",
"created_at": "2022-09-04T14:35:45.161727Z",
"updated_at": "2022-09-04T14:35:45.161752Z",
"structure_string": "Li3 Co1 O1 F3\n1.0\n2.851157 0.000000 -0.000000\n0.000000 2.851157 0.000000\n-0.000000 0.000000 8.481819\nLi Co O F\n3 1 1 3\ndirect\n0.000000 0.000000 0.241789 Li\n0.000000 0.000000 0.758211 Li\n0.500001 0.500001 0.000000 Li\n0.500001 0.500001 0.500000 Co\n0.000000 0.000000 0.500000 O\n0.500001 0.500001 0.234784 F\n0.500001 0.500001 0.765216 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.678759006804526,
"density_atomic": 0.11602690867266623,
"volume": 68.94952292980163,
"volume_molar": 5.190296655226413,
"formula_full": "Li3 Co1 O1 F3",
"formula_reduced": "Li3CoOF3",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 0.7565256559375002,
"spacegroup": 123
},
{
"id": "jvasp-19907",
"created_at": "2022-09-04T14:36:01.443092Z",
"updated_at": "2022-09-04T14:36:01.443114Z",
"structure_string": "Al1 B2\n1.0\n1.504454 -2.605791 -0.000000\n1.504454 2.605791 -0.000000\n-0.000000 0.000000 3.297557\nAl B\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666666 0.333332 0.500000 B\n0.333332 0.666666 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 3.1215923432504433,
"density_atomic": 0.11603271511318822,
"volume": 25.854777224453844,
"volume_molar": 5.190036925470105,
"formula_full": "Al1 B2",
"formula_reduced": "AlB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.134522655555556,
"spacegroup": 191
},
{
"id": "jvasp-46343",
"created_at": "2022-09-04T14:38:07.069052Z",
"updated_at": "2022-09-04T14:38:07.069079Z",
"structure_string": "Li2 Ti1 V1 O4\n1.0\n5.074940 -0.207803 0.000000\n2.034200 4.654056 0.000000\n-3.554571 -2.223127 2.867219\nLi Ti V O\n2 1 1 4\ndirect\n0.250000 0.750001 0.500000 Li\n0.500000 0.500001 -0.000000 Li\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 V\n0.503544 0.003544 0.500000 O\n0.248161 0.248162 -0.000000 O\n0.996456 0.496457 0.500000 O\n0.751838 0.751840 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.256269642375923,
"density_atomic": 0.11605469709736192,
"volume": 68.93301348491349,
"volume_molar": 5.189053877714089,
"formula_full": "Li2 Ti1 V1 O4",
"formula_reduced": "Li2TiVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.465357066666667,
"spacegroup": 119
},
{
"id": "jvasp-44714",
"created_at": "2022-09-04T14:38:04.714661Z",
"updated_at": "2022-09-04T14:38:04.714687Z",
"structure_string": "Li5 Fe3 Ni2 O10\n1.0\n4.993068 0.013853 0.086265\n0.762489 5.023766 0.086759\n2.483239 2.249496 6.948832\nLi Fe Ni O\n5 3 2 10\ndirect\n0.499052 0.804256 0.417024 Li\n0.508880 0.608333 0.783549 Li\n-0.000000 0.500001 0.500000 Li\n0.491121 0.391668 0.216450 Li\n0.500948 0.195745 0.582975 Li\n0.500000 -0.000000 -0.000000 Fe\n0.008263 0.301659 0.894075 Fe\n0.991738 0.698343 0.105924 Fe\n-0.005116 0.104766 0.307532 Ni\n0.005116 0.895235 0.692468 Ni\n0.251922 0.318358 0.042556 O\n0.230652 0.924150 0.857818 O\n0.748079 0.681644 0.957444 O\n0.762186 0.864996 0.548315 O\n0.240002 0.763960 0.227648 O\n0.223917 0.537986 0.669844 O\n0.776084 0.462015 0.330156 O\n0.759999 0.236041 0.772351 O\n0.237814 0.135006 0.451684 O\n0.769348 0.075851 0.142181 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.621495930520372,
"density_atomic": 0.11605542972689575,
"volume": 172.33144581916116,
"volume_molar": 5.18902112048651,
"formula_full": "Li5 Fe3 Ni2 O10",
"formula_reduced": "Li5Fe3(NiO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.445424315,
"spacegroup": 2
},
{
"id": "jvasp-115181",
"created_at": "2022-09-04T14:38:45.074305Z",
"updated_at": "2022-09-04T14:38:45.074329Z",
"structure_string": "Li1 B2\n1.0\n3.333457 0.000000 -0.000000\n-1.666728 2.886858 0.000000\n0.000000 0.000000 2.685899\nLi B\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.000000 B\n0.666666 0.333333 0.000000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.835029119697417,
"density_atomic": 0.1160676784091551,
"volume": 25.846988938854903,
"volume_molar": 5.188473520398242,
"formula_full": "Li1 B2",
"formula_reduced": "LiB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.039405055555556,
"spacegroup": 191
},
{
"id": "jvasp-103890",
"created_at": "2022-09-04T14:36:56.672224Z",
"updated_at": "2022-09-04T14:36:56.672242Z",
"structure_string": "Ti1 H24 C13 O4\n1.0\n4.899813 -0.017654 -0.655557\n-0.682333 6.788775 -2.233653\n-0.121746 -0.207251 10.969320\nTi H C O\n1 24 13 4\ndirect\n0.478775 0.587605 0.883875 Ti\n0.962537 0.813497 0.540670 H\n0.310015 0.527589 0.633115 H\n0.202561 0.762161 0.727608 H\n0.488061 0.673376 0.137283 H\n0.137031 0.613612 0.052039 H\n0.861368 0.864953 0.395308 H\n0.023706 0.532134 0.718339 H\n0.511907 0.082737 0.514981 H\n0.865290 0.172020 0.574357 H\n0.877730 0.034492 0.751893 H\n0.524752 0.930410 0.696290 H\n0.346646 0.417383 0.054171 H\n0.004600 0.187318 0.373110 H\n0.698671 0.091082 0.258071 H\n0.415024 0.713032 0.514892 H\n0.419928 0.682878 0.349732 H\n-0.004274 0.510446 0.329872 H\n0.140777 0.992106 0.167859 H\n0.684127 0.418617 0.219913 H\n0.062884 0.119474 0.973633 H\n0.789093 0.244280 0.042467 H\n0.770848 0.479370 0.513026 H\n0.463240 0.367913 0.402920 H\n0.241050 0.244470 0.197974 H\n0.549220 0.682918 0.440529 C\n0.643853 0.476897 0.421119 C\n0.806966 0.407867 0.308867 C\n0.909153 0.118722 0.036400 C\n0.060593 0.134167 0.173953 C\n0.886033 0.196626 0.282443 C\n0.726135 0.928326 0.974475 C\n0.706608 0.051603 0.563883 C\n0.786996 0.850957 0.482206 C\n0.586405 0.243102 0.781058 C\n0.224167 0.607845 0.720604 C\n0.346165 0.569440 0.052315 C\n0.676241 0.052143 0.702554 C\n0.767581 0.393758 0.846741 O\n0.831130 0.768719 0.914003 O\n0.470497 0.906664 0.979853 O\n0.334702 0.273133 0.783342 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.3409213086061826,
"density_atomic": 0.1160731592039553,
"volume": 361.84075877697666,
"volume_molar": 5.1882285287146646,
"formula_full": "Ti1 H24 C13 O4",
"formula_reduced": "TiH24C13O4",
"formula_anonymous": "AB4C13D24",
"energy_above_hull": 4.744183150793651,
"spacegroup": 1
},
{
"id": "jvasp-103877",
"created_at": "2022-09-04T14:36:52.316596Z",
"updated_at": "2022-09-04T14:36:52.316613Z",
"structure_string": "Sn1 H18 C10 O6\n1.0\n4.764775 -0.035648 0.676569\n-0.118911 6.205529 1.933976\n-0.069304 0.278991 10.276587\nSn H C O\n1 18 10 6\ndirect\n0.552879 0.590947 0.102814 Sn\n0.966829 0.645879 0.537914 H\n0.693821 0.606186 0.862320 H\n0.003065 0.723732 0.684844 H\n0.275542 0.063707 0.517029 H\n0.910375 0.058651 0.510000 H\n0.966255 0.990725 0.294201 H\n0.304534 0.876170 0.317516 H\n0.419390 0.078547 0.738001 H\n0.829369 0.554113 0.290905 H\n0.289095 0.376826 0.518794 H\n0.636578 0.377427 0.553271 H\n0.528161 0.739959 0.484559 H\n0.489331 0.675758 0.666724 H\n0.085747 0.235370 0.998078 H\n0.754388 0.119799 0.992646 H\n0.935277 0.378741 0.766408 H\n0.918515 0.116954 0.751793 H\n0.459323 0.287723 0.809433 H\n0.979904 0.127709 0.955976 C\n0.031626 0.219303 0.795557 C\n0.397692 0.646769 0.581461 C\n0.419053 0.405565 0.592090 C\n0.344054 0.240246 0.737833 C\n0.107897 0.979623 0.489277 C\n0.101036 0.739235 0.578698 C\n0.308275 0.216914 0.250071 C\n0.092888 0.903555 0.004848 C\n0.165055 0.003583 0.332959 C\n0.171614 0.396498 0.218963 O\n0.528563 0.533833 0.925801 O\n0.673602 0.651654 0.264772 O\n0.965099 0.741851 0.992333 O\n0.330792 0.884351 0.052256 O\n0.572484 0.229945 0.209211 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.943833405173945,
"density_atomic": 0.11607990003968587,
"volume": 301.5164553728428,
"volume_molar": 5.1879272448900515,
"formula_full": "Sn1 H18 C10 O6",
"formula_reduced": "SnH18(C5O3)2",
"formula_anonymous": "AB6C10D18",
"energy_above_hull": 4.47534122,
"spacegroup": 1
},
{
"id": "jvasp-119272",
"created_at": "2022-09-04T14:38:48.638921Z",
"updated_at": "2022-09-04T14:38:48.638938Z",
"structure_string": "Li6 Co8 O16\n1.0\n5.652301 0.000035 0.000027\n-2.826189 4.667936 -1.635938\n-0.000047 0.009073 9.790443\nLi Co O\n6 8 16\ndirect\n0.249959 0.000000 0.750010 Li\n0.750069 -0.000019 0.249978 Li\n0.500001 -0.000040 -0.000007 Li\n0.000040 0.000039 0.500007 Li\n0.749957 -0.000002 0.749990 Li\n0.250087 0.000017 0.250021 Li\n0.500000 0.500010 0.500001 Co\n0.499991 0.499990 -0.000001 Co\n0.249998 0.500000 0.250000 Co\n0.249994 0.500000 0.750000 Co\n-0.000009 0.499995 0.000000 Co\n-0.000003 0.500006 0.500000 Co\n0.749991 0.499999 0.750000 Co\n0.749996 0.499999 0.250000 Co\n0.891634 0.288181 0.132183 O\n0.644093 0.288195 0.379732 O\n0.144083 0.288185 0.879729 O\n0.608357 0.711818 0.367817 O\n0.108348 0.711808 0.867819 O\n0.391638 0.288189 0.632182 O\n0.355899 0.711815 0.620271 O\n0.640690 0.281397 0.880233 O\n0.896539 0.288191 0.632180 O\n0.396537 0.288181 0.132183 O\n0.859294 0.718602 0.619766 O\n0.359292 0.718589 0.119764 O\n0.140702 0.281411 0.380236 O\n0.603449 0.711810 0.867818 O\n0.855899 0.711804 0.120268 O\n0.103454 0.711819 0.367817 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.9423994657118735,
"density_atomic": 0.11609835951380792,
"volume": 258.40158401576736,
"volume_molar": 5.187102371833057,
"formula_full": "Li6 Co8 O16",
"formula_reduced": "Li3(CoO2)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.7517127733333333,
"spacegroup": 166
},
{
"id": "jvasp-46150",
"created_at": "2022-09-04T14:38:02.935043Z",
"updated_at": "2022-09-04T14:38:02.935060Z",
"structure_string": "Li1 Co1 C2 O6\n1.0\n2.262198 1.006998 -3.786631\n-0.000000 4.023744 3.773006\n2.262199 -1.006998 3.786632\nLi Co C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500001 Co\n0.241975 0.725927 0.758025 C\n0.758025 0.274073 0.241976 C\n0.050465 0.269279 0.260639 O\n0.520546 0.730721 0.050466 O\n0.260639 0.730720 0.479455 O\n0.739361 0.269279 0.520547 O\n0.479454 0.269279 0.949535 O\n0.949535 0.730721 0.739362 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 3.584073554100174,
"density_atomic": 0.11610933243490995,
"volume": 86.12572125161367,
"volume_molar": 5.18661216433741,
"formula_full": "Li1 Co1 C2 O6",
"formula_reduced": "LiCo(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.5041151900000003,
"spacegroup": 148
},
{
"id": "jvasp-103948",
"created_at": "2022-09-04T14:36:55.987947Z",
"updated_at": "2022-09-04T14:36:55.987965Z",
"structure_string": "Zr1 H10 C7 O4\n1.0\n4.535444 0.119088 -0.354564\n1.704864 4.663976 0.107826\n-1.068404 0.242907 9.141648\nZr H C O\n1 10 7 4\ndirect\n0.673062 0.168122 0.808054 Zr\n-0.289670 0.911592 0.338139 H\n0.169803 0.766454 0.525147 H\n0.241710 0.395157 0.504729 H\n0.619579 0.561385 0.164726 H\n0.553182 0.689248 0.419876 H\n0.088161 0.684332 0.149987 H\n0.326020 0.429603 0.298339 H\n0.333228 0.789375 0.857142 H\n0.523925 0.170173 0.114171 H\n0.860286 0.265006 0.298699 H\n-0.028789 0.574523 0.667012 C\n0.054634 0.605841 0.516331 C\n0.127102 0.121593 -0.012382 C\n0.768379 0.687955 0.382509 C\n0.829929 0.484487 0.257067 C\n0.128891 0.467836 0.201467 C\n0.259846 0.242653 0.098666 C\n0.877773 0.340123 0.678381 O\n0.261304 0.523546 0.780047 O\n0.729247 0.826910 0.694193 O\n0.384075 0.948365 0.912190 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.1855277143519136,
"density_atomic": 0.11611154958263659,
"volume": 189.4729687018999,
"volume_molar": 5.186513126081436,
"formula_full": "Zr1 H10 C7 O4",
"formula_reduced": "ZrH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.704912204545455,
"spacegroup": 1
}
]
}