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&page=429",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=427",
"results": [
{
"id": "jvasp-55032",
"created_at": "2022-09-04T14:38:32.196742Z",
"updated_at": "2022-09-04T14:38:32.196766Z",
"structure_string": "Ca4 Cl8\n1.0\n4.383541 0.000000 0.000000\n-0.000000 7.218093 0.000000\n0.000000 0.000000 8.676430\nCa Cl\n4 8\ndirect\n0.250000 0.757506 0.896690 Ca\n0.250000 0.257506 0.603310 Ca\n0.750000 0.242493 0.103310 Ca\n0.750000 0.742493 0.396690 Ca\n0.750000 0.141199 0.419687 Cl\n0.250000 0.358800 0.919687 Cl\n0.250000 -0.141199 0.580313 Cl\n0.750000 0.641199 0.080313 Cl\n0.750000 0.012901 0.839650 Cl\n0.250000 -0.012901 0.160350 Cl\n0.750000 0.512901 0.660350 Cl\n0.250000 0.487098 0.339650 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.6852260298767683,
"density_atomic": 0.04371119025243859,
"volume": 274.5292436718887,
"volume_molar": 13.77711456773711,
"formula_full": "Ca4 Cl8",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0097866666666665,
"spacegroup": 62
},
{
"id": "jvasp-55702",
"created_at": "2022-09-04T14:38:09.751988Z",
"updated_at": "2022-09-04T14:38:09.752008Z",
"structure_string": "Tc2 H8 N2 O8\n1.0\n5.577592 -0.000004 -2.228232\n-0.890169 5.506098 -2.228236\n-0.244490 -0.287187 7.482889\nTc H N O\n2 8 2 8\ndirect\n0.125000 0.375000 0.250000 Tc\n0.875000 0.625000 0.750000 Tc\n0.279558 0.207365 0.650712 H\n0.720442 0.792635 0.349288 H\n0.707365 0.871155 0.150712 H\n0.556652 0.220442 0.849288 H\n0.371154 0.943347 0.650712 H\n0.443347 0.779558 0.150712 H\n0.628845 0.056653 0.349288 H\n0.292635 0.128845 0.849288 H\n0.625000 0.875001 0.250000 N\n0.375000 0.125000 0.750000 N\n0.843150 0.416787 0.090272 O\n0.916786 0.747123 0.590272 O\n0.156850 0.583214 0.909727 O\n0.326514 0.656850 0.409728 O\n0.083214 0.252878 0.409728 O\n0.247122 0.173486 0.090272 O\n0.673486 0.343150 0.590272 O\n0.752877 0.826514 0.909728 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tc",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Tc",
"density": 2.6852404138238284,
"density_atomic": 0.08982031573050454,
"volume": 222.66677463044869,
"volume_molar": 6.704653296998795,
"formula_full": "Tc2 H8 N2 O8",
"formula_reduced": "TcH4NO4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 3.5529628750000004,
"spacegroup": 88
},
{
"id": "jvasp-14325",
"created_at": "2022-09-04T14:38:33.648379Z",
"updated_at": "2022-09-04T14:38:33.648394Z",
"structure_string": "Mo2 P2 Cl18\n1.0\n6.828360 -0.031588 0.037365\n-0.911728 8.851546 0.080320\n-0.971558 -1.808959 9.107577\nMo P Cl\n2 2 18\ndirect\n0.883178 0.369110 0.323794 Mo\n0.116821 0.630890 0.676205 Mo\n0.546852 0.185311 0.777607 P\n0.453147 0.814689 0.222393 P\n0.238693 0.946313 0.230479 Cl\n0.761306 0.053687 0.769520 Cl\n0.560979 0.803473 0.422213 Cl\n0.439021 0.196527 0.577787 Cl\n0.550779 0.284407 0.236793 Cl\n0.449220 0.715593 0.763207 Cl\n0.874720 0.588554 0.214179 Cl\n0.125280 0.411446 0.785820 Cl\n0.988314 0.764333 0.879651 Cl\n0.651566 0.390733 0.886894 Cl\n0.915643 0.160758 0.444788 Cl\n0.084356 0.839242 0.555212 Cl\n0.779246 0.515376 0.552022 Cl\n0.220753 0.484624 0.447978 Cl\n0.335764 0.093435 0.876415 Cl\n0.664236 0.906565 0.123585 Cl\n0.011686 0.235667 0.120348 Cl\n0.348434 0.609267 0.113106 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mo",
"P",
"Cl"
],
"chemical_system": "Cl-Mo-P",
"density": 2.685267649012813,
"density_atomic": 0.039884605822484695,
"volume": 551.5912604957384,
"volume_molar": 15.09891005768711,
"formula_full": "Mo2 P2 Cl18",
"formula_reduced": "MoPCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 1.0175980006818182,
"spacegroup": 2
},
{
"id": "jvasp-59033",
"created_at": "2022-09-04T14:38:01.588777Z",
"updated_at": "2022-09-04T14:38:01.588806Z",
"structure_string": "K8 Te4 S12\n1.0\n0.000000 6.325918 0.034471\n8.963633 0.000000 0.000000\n0.000000 -6.240498 -13.207364\nK Te S\n8 4 12\ndirect\n0.662327 0.370089 0.415852 K\n0.337673 0.870089 0.084148 K\n0.337673 0.629911 0.584148 K\n0.662327 0.129911 0.915852 K\n0.003249 0.391858 0.746081 K\n0.996751 0.891857 0.753919 K\n0.996751 0.608142 0.253919 K\n0.003249 0.108142 0.246081 K\n0.283286 0.172824 0.579410 Te\n0.716713 0.672824 0.920590 Te\n0.716714 0.827176 0.420590 Te\n0.283287 0.327176 0.079410 Te\n0.916799 0.133084 0.585877 S\n0.816971 0.663284 0.563171 S\n0.183029 0.163284 0.936829 S\n0.183029 0.336715 0.436829 S\n0.816971 0.836715 0.063171 S\n0.524317 0.660171 0.280213 S\n0.475683 0.160171 0.219786 S\n0.475683 0.339829 0.719786 S\n0.524317 0.839829 0.780213 S\n0.083201 0.866916 0.414123 S\n0.916799 0.366916 0.085877 S\n0.083200 0.633084 0.914123 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Te",
"S"
],
"chemical_system": "K-S-Te",
"density": 2.685343315189164,
"density_atomic": 0.03212973229437386,
"volume": 746.9716765801552,
"volume_molar": 18.74320241707871,
"formula_full": "K8 Te4 S12",
"formula_reduced": "K2TeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7370139611111111,
"spacegroup": 14
},
{
"id": "jvasp-117887",
"created_at": "2022-09-04T14:38:29.297121Z",
"updated_at": "2022-09-04T14:38:29.297148Z",
"structure_string": "Sc1 C1 Cl2\n1.0\n3.296171 0.000000 0.000000\n0.000000 3.296171 0.000000\n-0.000000 0.000000 7.277727\nSc C Cl\n1 1 2\ndirect\n0.500000 0.500000 0.774856 Sc\n0.000000 0.000000 0.695691 C\n0.000000 0.000000 0.452872 Cl\n0.500000 0.500000 0.086582 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"C",
"Cl"
],
"chemical_system": "C-Cl-Sc",
"density": 2.6854149679289603,
"density_atomic": 0.050587679999741515,
"volume": 79.07063538040168,
"volume_molar": 11.904362406085378,
"formula_full": "Sc1 C1 Cl2",
"formula_reduced": "ScCCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0723083462500003,
"spacegroup": 99
},
{
"id": "jvasp-78434",
"created_at": "2022-09-04T14:37:10.841280Z",
"updated_at": "2022-09-04T14:37:10.841300Z",
"structure_string": "K1 Se1\n1.0\n-3.317099 -3.317099 0.000000\n-3.317099 -0.000000 -3.317099\n0.000000 -3.317099 -3.317099\nK Se\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 2.685593807756857,
"density_atomic": 0.027398368331722923,
"volume": 72.99704769952743,
"volume_molar": 21.97992481554942,
"formula_full": "K1 Se1",
"formula_reduced": "KSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2710933416666666,
"spacegroup": 225
},
{
"id": "jvasp-34229",
"created_at": "2022-09-04T14:36:37.445118Z",
"updated_at": "2022-09-04T14:36:37.445132Z",
"structure_string": "K4 C1 O4\n1.0\n4.939524 0.000119 -2.102690\n-0.895222 4.857716 -2.102679\n-0.254838 -0.306087 6.252980\nK C O\n4 1 4\ndirect\n0.552790 0.158477 0.711356 K\n0.447158 0.447157 0.288670 K\n0.158478 0.552791 0.711357 K\n0.841448 0.841448 0.288619 K\n0.000025 0.000026 -0.000001 C\n0.932328 0.239165 0.171487 O\n0.239164 0.932331 0.171487 O\n0.760879 0.760880 0.828499 O\n0.067726 0.067727 0.828522 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.6858831521662663,
"density_atomic": 0.06263853620377952,
"volume": 143.6815185259223,
"volume_molar": 9.61411476859613,
"formula_full": "K4 C1 O4",
"formula_reduced": "K4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.405345111111111,
"spacegroup": 121
},
{
"id": "jvasp-56370",
"created_at": "2022-09-04T14:38:33.619053Z",
"updated_at": "2022-09-04T14:38:33.619076Z",
"structure_string": "K8 Cu4 Cl12\n1.0\n4.102720 0.000000 0.000000\n0.000000 11.944324 0.000000\n0.000000 0.000000 12.519244\nK Cu Cl\n8 4 12\ndirect\n0.750000 0.674038 0.017634 K\n0.250000 0.487077 0.324961 K\n0.750000 0.174038 0.482366 K\n0.750000 0.512923 0.675039 K\n0.250000 0.825962 0.517634 K\n0.250000 0.987077 0.175039 K\n0.250000 0.325962 0.982366 K\n0.750000 0.012923 0.824960 K\n0.250000 0.245374 0.699305 Cu\n0.750000 0.254626 0.199305 Cu\n0.750000 0.754625 0.300695 Cu\n0.250000 0.745374 0.800695 Cu\n0.250000 0.366620 0.551804 Cl\n0.250000 0.222680 0.291763 Cl\n0.250000 0.722680 0.208236 Cl\n0.750000 0.277320 0.791763 Cl\n0.750000 0.777319 0.708236 Cl\n0.250000 0.558565 0.860585 Cl\n0.750000 0.441434 0.139415 Cl\n0.250000 0.866620 0.948196 Cl\n0.750000 0.633380 0.448196 Cl\n0.750000 0.133380 0.051804 Cl\n0.250000 0.058565 0.639414 Cl\n0.750000 0.941434 0.360585 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K",
"density": 2.6861304245072084,
"density_atomic": 0.03912007545704936,
"volume": 613.4957491672028,
"volume_molar": 15.393990654777282,
"formula_full": "K8 Cu4 Cl12",
"formula_reduced": "K2CuCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-85381",
"created_at": "2022-09-04T14:35:51.997161Z",
"updated_at": "2022-09-04T14:35:51.997179Z",
"structure_string": "K4 C1 O4\n1.0\n5.179295 0.015845 -1.409426\n-0.399339 5.163901 -1.409427\n-1.138102 -1.233292 6.041229\nK C O\n4 1 4\ndirect\n0.298610 0.904296 0.316106 K\n0.192452 0.192452 0.893200 K\n0.587034 0.587035 0.893711 K\n0.904295 0.298611 0.316106 K\n0.745014 0.745015 0.604786 C\n0.677476 0.984372 0.776242 O\n0.984370 0.677478 0.776242 O\n0.812574 0.812575 0.433255 O\n0.505739 0.505740 0.433375 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.6863174606950584,
"density_atomic": 0.06264866488360776,
"volume": 143.65828891518615,
"volume_molar": 9.612560413199985,
"formula_full": "K4 C1 O4",
"formula_reduced": "K4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4053473333333333,
"spacegroup": 121
},
{
"id": "jvasp-9573",
"created_at": "2022-09-04T14:38:18.406705Z",
"updated_at": "2022-09-04T14:38:18.406732Z",
"structure_string": "Ca2 C2 O6\n1.0\n4.584989 -0.037409 4.362468\n1.847305 4.196545 4.362468\n-0.057856 -0.037409 6.328499\nCa C O\n2 2 6\ndirect\n0.499999 0.499999 0.500001 Ca\n0.000000 0.000000 0.000000 Ca\n0.749999 0.749999 0.750002 C\n0.250000 0.250000 0.250001 C\n0.750000 0.492881 0.007119 O\n0.007117 0.749999 0.492884 O\n0.507117 0.992881 0.250002 O\n0.249999 0.507117 0.992884 O\n0.992882 0.249999 0.507119 O\n0.492881 0.007118 0.750001 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O",
"density": 2.6866806748671404,
"density_atomic": 0.08082760684371795,
"volume": 123.7201049306734,
"volume_molar": 7.450598867344852,
"formula_full": "Ca2 C2 O6",
"formula_reduced": "CaCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2496901840000003,
"spacegroup": 167
},
{
"id": "jvasp-97695",
"created_at": "2022-09-04T14:35:41.336159Z",
"updated_at": "2022-09-04T14:35:41.336189Z",
"structure_string": "Na16 Ga8 S20\n1.0\n6.119590 0.000000 0.000000\n0.000000 7.973350 -0.171673\n0.000000 0.130092 19.845091\nNa Ga S\n16 8 20\ndirect\n0.743278 0.923083 0.956460 Na\n0.996037 0.114220 0.199732 Na\n0.496037 0.885780 0.300268 Na\n0.003963 0.885780 0.800268 Na\n0.503963 0.114220 0.699732 Na\n0.026223 0.656567 0.215701 Na\n0.973777 0.343432 0.784299 Na\n0.473777 0.656567 0.715701 Na\n0.526223 0.343432 0.284299 Na\n0.540068 0.404060 0.102953 Na\n0.959932 0.404060 0.602953 Na\n0.459932 0.595939 0.897047 Na\n0.756722 0.923083 0.456460 Na\n0.256722 0.076917 0.043541 Na\n0.243278 0.076917 0.543541 Na\n0.040068 0.595940 0.397047 Na\n0.913073 0.344879 0.963735 Ga\n0.933470 0.835057 0.635094 Ga\n0.566530 0.835057 0.135094 Ga\n0.066530 0.164943 0.364906 Ga\n0.413073 0.655121 0.536265 Ga\n0.086927 0.655121 0.036265 Ga\n0.586927 0.344879 0.463735 Ga\n0.433470 0.164943 0.864906 Ga\n0.488570 0.370401 0.791576 S\n0.522745 0.611834 0.424048 S\n0.977255 0.611833 0.924048 S\n0.477255 0.388166 0.575952 S\n0.011430 0.370401 0.291576 S\n0.511430 0.629599 0.208425 S\n0.975695 0.905756 0.326255 S\n0.475695 0.094243 0.173745 S\n0.022745 0.388166 0.075952 S\n0.024305 0.094243 0.673745 S\n0.940609 0.258846 0.470975 S\n0.440609 0.741154 0.029025 S\n0.059391 0.741154 0.529025 S\n0.559391 0.258846 0.970975 S\n0.931325 0.869093 0.097507 S\n0.431325 0.130907 0.402493 S\n0.068676 0.130907 0.902493 S\n0.568676 0.869093 0.597507 S\n0.524305 0.905756 0.826255 S\n0.988570 0.629599 0.708425 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Na",
"Ga",
"S"
],
"chemical_system": "Ga-Na-S",
"density": 2.686695601046245,
"density_atomic": 0.04543338906894579,
"volume": 968.4507561879083,
"volume_molar": 13.254879029300056,
"formula_full": "Na16 Ga8 S20",
"formula_reduced": "Na4Ga2S5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 0.5311164227272729,
"spacegroup": 14
},
{
"id": "jvasp-57506",
"created_at": "2022-09-04T14:37:15.031798Z",
"updated_at": "2022-09-04T14:37:15.031821Z",
"structure_string": "K8 N4 Cl4 O12\n1.0\n5.685990 0.000000 0.000000\n-0.000000 7.594685 0.000000\n0.000000 0.000000 10.055541\nK N Cl O\n8 4 4 12\ndirect\n0.250000 0.480334 0.196684 K\n0.250000 0.980334 0.303316 K\n0.750000 0.837612 0.095074 K\n0.250000 0.662387 0.595074 K\n0.750000 0.519665 0.803316 K\n0.750000 0.019665 0.696684 K\n0.250000 0.162387 0.904926 K\n0.750000 0.337612 0.404926 K\n0.750000 0.962988 0.405694 N\n0.250000 0.537011 0.905694 N\n0.250000 0.037012 0.594306 N\n0.750000 0.462988 0.094306 N\n0.750000 0.275682 0.078732 Cl\n0.750000 0.775681 0.421268 Cl\n0.250000 0.224318 0.578732 Cl\n0.250000 0.724318 0.921268 Cl\n0.750000 0.205940 0.934996 O\n0.037952 0.318835 0.640148 O\n0.462048 0.818835 0.859851 O\n0.250000 0.794059 0.065004 O\n0.962048 0.681164 0.359851 O\n0.250000 0.294060 0.434996 O\n0.962048 0.181165 0.140149 O\n0.537952 0.681164 0.359851 O\n0.750000 0.705940 0.565003 O\n0.037952 0.818835 0.859851 O\n0.537952 0.181165 0.140149 O\n0.462048 0.318835 0.640148 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-K-N-O",
"density": 2.6868725764995367,
"density_atomic": 0.06448173776259108,
"volume": 434.23147346137637,
"volume_molar": 9.339296627166474,
"formula_full": "K8 N4 Cl4 O12",
"formula_reduced": "K2NClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.6587248310714284,
"spacegroup": 62
}
]
}