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=spacegroup&page=165",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=163",
"results": [
{
"id": "jvasp-111923",
"created_at": "2022-09-04T14:38:42.690072Z",
"updated_at": "2022-09-04T14:38:42.690102Z",
"structure_string": "Li4 Ni6 O2 F12\n1.0\n5.543691 -0.006718 2.119496\n0.319336 5.972181 2.575446\n-0.059686 0.011177 7.811783\nLi Ni O F\n4 6 2 12\ndirect\n0.316238 0.855772 0.468492 Li\n0.126114 0.301046 0.069506 Li\n0.873886 0.698955 0.930495 Li\n0.683762 0.144228 0.531509 Li\n0.781454 0.569634 0.655440 Ni\n0.925421 0.837139 0.220114 Ni\n0.352424 0.726079 0.931171 Ni\n0.647576 0.273921 0.068830 Ni\n0.074579 0.162861 0.779887 Ni\n0.218546 0.430366 0.344561 Ni\n0.068567 0.584906 0.136270 O\n0.931433 0.415094 0.863731 O\n0.539735 0.563061 0.133976 F\n0.095656 0.705778 0.436793 F\n0.460265 0.436939 0.866025 F\n0.626593 0.719354 0.438514 F\n0.771585 0.986713 0.000578 F\n0.173184 0.863510 0.727609 F\n0.323279 0.153316 0.270060 F\n0.676721 0.846684 0.729940 F\n0.826816 0.136490 0.272392 F\n0.228415 0.013287 0.999423 F\n0.373406 0.280646 0.561487 F\n0.904343 0.294222 0.563207 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.098640189492504,
"density_atomic": 0.09257358606191927,
"volume": 259.2532170455969,
"volume_molar": 6.505247356380899,
"formula_full": "Li4 Ni6 O2 F12",
"formula_reduced": "Li2Ni3OF6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 0.4472268662500001,
"spacegroup": 2
},
{
"id": "jvasp-111969",
"created_at": "2022-09-04T14:38:42.717168Z",
"updated_at": "2022-09-04T14:38:42.717193Z",
"structure_string": "Li8 Ni6 O4 F12\n1.0\n5.021341 -0.008359 0.881867\n-1.561266 11.195563 -0.814004\n-0.000324 -0.008179 5.090821\nLi Ni O F\n8 6 4 12\ndirect\n0.016780 -0.001253 0.011968 Li\n0.516779 0.498747 0.011968 Li\n0.108230 0.126240 0.488011 Li\n0.608229 0.626240 0.488010 Li\n0.259238 0.247238 0.989078 Li\n0.759236 0.747237 0.989077 Li\n0.365747 0.377757 0.510929 Li\n0.865746 0.877757 0.510929 Li\n0.062505 0.562509 0.750001 Ni\n0.180509 0.682382 0.249194 Ni\n0.944487 0.442620 0.250811 Ni\n0.562506 0.062509 0.750002 Ni\n0.680513 0.182383 0.249195 Ni\n0.444485 0.942619 0.250811 Ni\n0.259927 0.534497 0.388908 O\n0.759931 0.034497 0.388911 O\n0.365067 0.090505 0.111096 O\n0.865069 0.590505 0.111096 O\n0.040223 0.279380 0.350553 F\n0.918565 0.150004 0.880410 F\n0.418563 0.650004 0.880409 F\n0.706446 0.474997 0.619595 F\n0.206445 0.974997 0.619597 F\n0.438295 0.217862 0.617586 F\n0.938293 0.717861 0.617585 F\n0.186705 0.407144 0.882416 F\n0.686704 0.907144 0.882417 F\n0.584776 0.345617 0.149450 F\n0.084776 0.845617 0.149451 F\n0.540221 0.779380 0.350553 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.060846180181761,
"density_atomic": 0.10485699464964386,
"volume": 286.10394662023526,
"volume_molar": 5.743194128461943,
"formula_full": "Li8 Ni6 O4 F12",
"formula_reduced": "Li4Ni3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 0.6719170596666666,
"spacegroup": 2
},
{
"id": "jvasp-113223",
"created_at": "2022-09-04T14:38:42.751722Z",
"updated_at": "2022-09-04T14:38:42.751757Z",
"structure_string": "Li4 Mn4 Al4 O12\n1.0\n5.116860 0.267697 -1.402088\n2.494814 5.094029 -1.648648\n0.355212 -0.209459 10.001530\nLi Mn Al O\n4 4 4 12\ndirect\n0.632051 0.444156 0.873799 Li\n0.132053 0.944154 0.373799 Li\n0.367948 0.555844 0.126200 Li\n0.867946 0.055847 0.626201 Li\n0.958140 0.463922 0.202782 Mn\n0.041859 0.536079 0.797217 Mn\n0.458137 0.963923 0.702781 Mn\n0.541861 0.036078 0.297218 Mn\n0.207845 0.035607 0.956454 Al\n0.707844 0.535604 0.456454 Al\n0.792154 0.964394 0.043546 Al\n0.292154 0.464397 0.543545 Al\n0.179912 0.748877 0.967207 O\n0.439833 0.317140 0.697398 O\n0.939833 0.817139 0.197396 O\n0.560166 0.682861 0.302601 O\n0.060166 0.182861 0.802603 O\n0.615466 0.811441 0.895252 O\n0.115466 0.311439 0.395252 O\n0.384532 0.188560 0.104748 O\n0.884532 0.688562 0.604748 O\n0.820086 0.251123 0.032793 O\n0.320086 0.751123 0.532793 O\n0.679912 0.248878 0.467207 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.5598186014655937,
"density_atomic": 0.0939847402187516,
"volume": 255.36060369097643,
"volume_molar": 6.407572916606816,
"formula_full": "Li4 Mn4 Al4 O12",
"formula_reduced": "LiMnAlO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.160308423563218,
"spacegroup": 2
},
{
"id": "jvasp-112121",
"created_at": "2022-09-04T14:38:42.774105Z",
"updated_at": "2022-09-04T14:38:42.774136Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.290473 -0.142703 0.025204\n1.690745 4.084764 0.733509\n-0.078097 0.061539 9.827356\nSn H C F\n2 8 4 4\ndirect\n0.853086 0.365795 0.988911 Sn\n0.175558 0.104015 0.507894 Sn\n0.216533 0.922410 0.192936 H\n0.239139 0.434733 0.266267 H\n0.812103 0.547462 0.303888 H\n0.789493 0.035154 0.230552 H\n0.892095 0.608934 0.725947 H\n0.136573 0.860909 0.770868 H\n0.400196 0.087690 0.762461 H\n0.628458 0.382169 0.734338 H\n0.874256 0.374327 0.768290 C\n0.989523 0.126975 0.201603 C\n0.039108 0.342905 0.295208 C\n0.154400 0.095518 0.728511 C\n0.698957 0.989718 0.504530 F\n0.329703 0.480095 0.992207 F\n0.699961 0.854689 0.993569 F\n0.328759 0.615112 0.503262 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.5178318421294854,
"density_atomic": 0.10319546517070276,
"volume": 174.42626931546803,
"volume_molar": 5.835664144774541,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.869992473888889,
"spacegroup": 2
},
{
"id": "jvasp-114825",
"created_at": "2022-09-04T14:38:42.947048Z",
"updated_at": "2022-09-04T14:38:42.947081Z",
"structure_string": "Cr1 H1 F4\n1.0\n3.034881 -0.060769 0.511001\n-0.040786 4.000398 0.196565\n0.914870 0.664453 4.701742\nCr H F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 H\n0.381867 0.113217 0.220697 F\n0.828461 0.581338 0.287926 F\n0.618133 -0.113219 0.779303 F\n0.171538 0.418662 0.712072 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"H",
"F"
],
"chemical_system": "Cr-F-H",
"density": 3.9103181193758614,
"density_atomic": 0.10952983544239081,
"volume": 54.77959476307082,
"volume_molar": 5.498173840649522,
"formula_full": "Cr1 H1 F4",
"formula_reduced": "CrHF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.885343088333334,
"spacegroup": 2
},
{
"id": "jvasp-112029",
"created_at": "2022-09-04T14:38:42.970262Z",
"updated_at": "2022-09-04T14:38:42.970287Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.462663 -0.075018 -0.045871\n-1.221714 4.313145 -0.197644\n0.104626 -0.036652 7.278432\nZn H C O\n1 4 4 4\ndirect\n0.359657 0.851040 0.271778 Zn\n0.574878 0.046915 0.678443 H\n0.061855 0.089304 0.754097 H\n0.657626 0.612714 0.789429 H\n0.144582 0.655072 0.865098 H\n0.029154 0.328950 0.515275 C\n0.868365 0.221471 0.701630 C\n0.851082 0.480528 0.841904 C\n0.690255 0.373068 0.028258 C\n0.958842 0.123867 0.379346 O\n0.234642 0.612132 0.502852 O\n0.760556 0.578163 0.164181 O\n0.484730 0.089891 0.040682 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.7895329386655416,
"density_atomic": 0.12033562063542798,
"volume": 108.03118753494569,
"volume_molar": 5.004453983118464,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957011876923077,
"spacegroup": 2
},
{
"id": "jvasp-112658",
"created_at": "2022-09-04T14:38:42.987178Z",
"updated_at": "2022-09-04T14:38:42.987200Z",
"structure_string": "Nb12 Zn1 Se16\n1.0\n6.609642 0.002242 -2.265298\n-1.641981 8.810459 -4.781910\n-0.011711 -0.027787 10.741679\nNb Zn Se\n12 1 16\ndirect\n0.679106 0.619735 0.106827 Nb\n0.183973 0.513508 0.620531 Nb\n0.685925 0.512012 0.619341 Nb\n0.616947 0.107203 0.486578 Nb\n0.320894 0.380265 0.893172 Nb\n0.821896 0.379924 0.892443 Nb\n0.120278 0.107168 0.487965 Nb\n0.816026 0.486491 0.379469 Nb\n0.383053 0.892797 0.513421 Nb\n0.879722 0.892832 0.512035 Nb\n0.178104 0.620076 0.107556 Nb\n0.314075 0.487987 0.380659 Nb\n0.000000 0.000000 0.000000 Zn\n0.045334 0.278356 0.339525 Se\n0.958378 0.332888 0.666415 Se\n0.458396 0.333807 0.666943 Se\n0.844936 0.661226 0.939390 Se\n0.344653 0.661311 0.940181 Se\n0.543312 0.278691 0.338079 Se\n0.736191 0.061051 0.721626 Se\n0.764846 0.940567 0.278676 Se\n0.655347 0.338688 0.059818 Se\n0.155063 0.338774 0.060610 Se\n0.954666 0.721643 0.660475 Se\n0.456687 0.721308 0.661921 Se\n0.041622 0.667111 0.333584 Se\n0.263808 0.938948 0.278373 Se\n0.235154 0.059433 0.721323 Se\n0.541604 0.666192 0.333056 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"Se"
],
"chemical_system": "Nb-Se-Zn",
"density": 6.499136918532137,
"density_atomic": 0.04644793098831084,
"volume": 624.3550440879312,
"volume_molar": 12.965358481770787,
"formula_full": "Nb12 Zn1 Se16",
"formula_reduced": "Nb12ZnSe16",
"formula_anonymous": "AB12C16",
"energy_above_hull": 3.8095430022988506,
"spacegroup": 2
},
{
"id": "jvasp-112725",
"created_at": "2022-09-04T14:38:43.188830Z",
"updated_at": "2022-09-04T14:38:43.188856Z",
"structure_string": "Mn2 Co8 N8\n1.0\n4.795339 0.000677 0.460398\n1.232179 4.367509 1.526424\n-0.008861 0.015370 7.668720\nMn Co N\n2 8 8\ndirect\n0.697609 0.845386 0.777314 Mn\n0.302392 0.154615 0.222686 Mn\n0.731788 0.060597 0.415491 Co\n0.216848 0.571845 0.424920 Co\n0.783152 0.428156 0.575079 Co\n0.268212 0.939404 0.584508 Co\n0.740480 0.244341 0.950183 Co\n0.242105 0.357442 0.783477 Co\n0.757895 0.642559 0.216522 Co\n0.259520 0.755660 0.049817 Co\n0.509221 0.789643 0.392727 N\n0.977581 0.708252 0.617529 N\n0.022419 0.291749 0.382471 N\n0.868891 0.823927 0.982375 N\n0.131110 0.176074 0.017625 N\n0.429161 0.631939 0.836835 N\n0.570839 0.368062 0.163165 N\n0.490779 0.210358 0.607273 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Co",
"N"
],
"chemical_system": "Co-Mn-N",
"density": 7.173049142976416,
"density_atomic": 0.11213633340896527,
"volume": 160.51889207357394,
"volume_molar": 5.3703742372572805,
"formula_full": "Mn2 Co8 N8",
"formula_reduced": "Mn(CoN)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 5.000575982375479,
"spacegroup": 2
},
{
"id": "jvasp-117114",
"created_at": "2022-09-04T14:38:43.220977Z",
"updated_at": "2022-09-04T14:38:43.220992Z",
"structure_string": "Bi2 Pd4 O8\n1.0\n5.663957 -0.015924 -0.584492\n-2.525392 4.992985 -2.566015\n-0.009649 0.005003 6.454458\nBi Pd O\n2 4 8\ndirect\n0.861937 0.242846 0.641683 Bi\n0.138064 0.757155 0.358319 Bi\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.000001 Pd\n0.500001 0.500001 0.500001 Pd\n0.500000 0.000000 0.000000 Pd\n0.646950 0.394294 0.228567 O\n0.353051 0.605707 0.771435 O\n0.842137 0.858595 0.642349 O\n0.157865 0.141406 0.357653 O\n0.521670 0.874255 0.247483 O\n0.478331 0.125746 0.752519 O\n0.878792 0.647255 0.988563 O\n0.121209 0.352746 0.011439 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"O"
],
"chemical_system": "Bi-O-Pd",
"density": 8.849279668425106,
"density_atomic": 0.0767862151348756,
"volume": 182.3243921504516,
"volume_molar": 7.842736810796133,
"formula_full": "Bi2 Pd4 O8",
"formula_reduced": "Bi(PdO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1281328142857143,
"spacegroup": 2
},
{
"id": "jvasp-112168",
"created_at": "2022-09-04T14:38:43.429035Z",
"updated_at": "2022-09-04T14:38:43.429067Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.676745 -0.134560 0.013331\n-0.826828 4.368357 -1.484192\n0.474636 -0.098655 7.573698\nCd H C O\n1 4 4 4\ndirect\n0.250570 0.744028 0.726473 Cd\n0.996450 0.033788 0.252633 H\n0.541338 0.904068 0.165660 H\n-0.040358 0.583985 0.287270 H\n0.504551 0.454255 0.200268 H\n0.588301 0.160611 0.458452 C\n0.728243 0.104294 0.258910 C\n0.772761 0.383756 0.194004 C\n0.912758 0.327486 0.994475 C\n0.372830 0.934758 0.490514 O\n0.685645 0.430661 0.583111 O\n0.815493 0.057462 0.869783 O\n0.128205 0.553392 0.962456 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.153014546810126,
"density_atomic": 0.10803538717476595,
"volume": 120.33094285088504,
"volume_molar": 5.574229812550349,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.929785673076924,
"spacegroup": 2
},
{
"id": "jvasp-112060",
"created_at": "2022-09-04T14:38:43.641476Z",
"updated_at": "2022-09-04T14:38:43.641502Z",
"structure_string": "Sn1 H6 C4 O6\n1.0\n4.875641 -0.138950 0.468789\n0.761131 5.066481 0.859974\n-0.097953 0.150295 6.598123\nSn H C O\n1 6 4 6\ndirect\n0.012998 0.821169 0.692724 Sn\n0.344401 0.176693 0.069534 H\n0.230277 0.485503 0.142181 H\n0.681567 0.465628 0.315973 H\n0.795731 0.156842 0.243296 H\n-0.023436 0.157789 0.917400 H\n0.049449 0.484558 0.468045 H\n0.416354 0.355495 0.103959 C\n0.609639 0.286828 0.281522 C\n0.543346 0.493726 0.905567 C\n0.482633 0.148564 0.479893 C\n0.042345 0.968256 0.944370 O\n0.983654 0.674086 0.441073 O\n0.627430 0.062526 0.636217 O\n0.222656 0.128563 0.490563 O\n0.803320 0.513740 0.894870 O\n0.398516 0.579710 0.749251 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.732383111234118,
"density_atomic": 0.10406801177437407,
"volume": 163.35471111773577,
"volume_molar": 5.786735671530246,
"formula_full": "Sn1 H6 C4 O6",
"formula_reduced": "SnH6(C2O3)2",
"formula_anonymous": "AB4C6D6",
"energy_above_hull": 3.963532511764705,
"spacegroup": 2
},
{
"id": "jvasp-116499",
"created_at": "2022-09-04T14:38:43.462106Z",
"updated_at": "2022-09-04T14:38:43.462139Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.957557 -0.059274 -0.197927\n-1.485632 4.772729 -0.138381\n-0.020976 -0.022601 5.842110\nLi Mn Co O\n4 2 2 8\ndirect\n0.758019 0.501337 0.121020 Li\n0.266799 0.506848 0.359308 Li\n0.733202 0.493153 0.640692 Li\n0.241981 0.498664 0.878980 Li\n0.754157 0.010818 0.366052 Mn\n0.245843 0.989183 0.633948 Mn\n0.746340 0.994876 0.877952 Co\n0.253661 0.005126 0.122048 Co\n0.989930 0.764282 0.891581 O\n0.515782 0.784634 0.117198 O\n0.023085 0.788637 0.364505 O\n0.488465 0.755522 0.638117 O\n0.511535 0.244480 0.361882 O\n0.976916 0.211364 0.635495 O\n0.484219 0.215367 0.882802 O\n0.010070 0.235719 0.108418 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.62556063313809,
"density_atomic": 0.11621655367475274,
"volume": 137.67401883881445,
"volume_molar": 5.181827002763952,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.471981517672414,
"spacegroup": 2
}
]
}