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=-nsites&page=429",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=427",
"results": [
{
"id": "jvasp-55536",
"created_at": "2022-09-04T14:37:13.649284Z",
"updated_at": "2022-09-04T14:37:13.649313Z",
"structure_string": "Dy4 Be4 Ge2 O14\n1.0\n7.434175 0.000000 0.000000\n0.000000 7.434175 0.000000\n0.000000 -0.000000 4.810873\nDy Be Ge O\n4 4 2 14\ndirect\n0.658001 0.841998 0.505015 Dy\n0.158001 0.658001 0.494984 Dy\n0.841998 0.341998 0.494984 Dy\n0.341998 0.158001 0.505015 Dy\n0.364542 0.864542 0.048416 Be\n0.864542 0.635457 0.951583 Be\n0.635457 0.135457 0.048416 Be\n0.135457 0.364542 0.951583 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.857630 0.642369 0.282127 O\n0.357631 0.857630 0.717872 O\n0.642369 0.142369 0.717872 O\n0.142369 0.357631 0.282127 O\n0.500000 0.000000 0.185738 O\n0.000000 0.500000 0.814262 O\n0.172002 0.918795 0.218936 O\n0.327997 0.418795 0.781063 O\n0.418795 0.672002 0.218936 O\n0.581205 0.327997 0.218936 O\n0.081205 0.172002 0.781063 O\n0.918795 0.827997 0.781063 O\n0.672002 0.581205 0.781063 O\n0.827997 0.081205 0.218936 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Be",
"Ge",
"O"
],
"chemical_system": "Be-Dy-Ge-O",
"density": 6.590888257474678,
"density_atomic": 0.0902654993686279,
"volume": 265.8823157005797,
"volume_molar": 6.671586378098538,
"formula_full": "Dy4 Be4 Ge2 O14",
"formula_reduced": "Dy2Be2GeO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.1976429708333334,
"spacegroup": 113
},
{
"id": "jvasp-50542",
"created_at": "2022-09-04T14:37:10.731914Z",
"updated_at": "2022-09-04T14:37:10.731945Z",
"structure_string": "Hf4 Bi4 O16\n1.0\n5.466766 -0.009500 0.003980\n-0.370515 7.752983 0.016918\n-0.190387 -1.134496 7.693481\nHf Bi O\n4 4 16\ndirect\n0.782023 0.324418 0.637584 Hf\n0.742964 0.822157 0.672414 Hf\n0.257036 0.177842 0.327587 Hf\n0.217977 0.675581 0.362416 Hf\n0.279860 0.146382 0.818854 Bi\n0.242627 0.631559 0.864394 Bi\n0.757372 0.368440 0.135606 Bi\n0.720139 0.853617 0.181146 Bi\n0.410361 0.174390 0.081201 O\n0.389341 0.928840 0.319487 O\n0.924100 0.092941 0.188508 O\n0.104887 0.420980 0.327840 O\n0.904687 0.816449 0.432834 O\n0.414664 0.696811 0.588023 O\n0.585336 0.303188 0.411977 O\n0.610659 0.071159 0.680513 O\n0.895112 0.579019 0.672160 O\n0.075899 0.907058 0.811492 O\n0.493494 0.613251 0.187982 O\n0.589638 0.825609 0.918799 O\n0.506505 0.386748 0.812018 O\n0.996754 0.322854 0.883491 O\n0.095312 0.183550 0.567166 O\n0.003245 0.677145 0.116509 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hf",
"Bi",
"O"
],
"chemical_system": "Bi-Hf-O",
"density": 9.1939068872121,
"density_atomic": 0.07358262569430173,
"volume": 326.1639520680841,
"volume_molar": 8.184188459132898,
"formula_full": "Hf4 Bi4 O16",
"formula_reduced": "HfBiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5546052166666677,
"spacegroup": 2
},
{
"id": "jvasp-19302",
"created_at": "2022-09-04T14:37:16.346309Z",
"updated_at": "2022-09-04T14:37:16.346336Z",
"structure_string": "Mn4 Zn6 O14\n1.0\n5.143257 0.000000 -0.000000\n0.000000 4.913722 -1.325397\n-0.000000 -0.117784 9.334493\nMn Zn O\n4 6 14\ndirect\n0.752170 0.351290 0.204095 Mn\n0.252170 0.648710 0.795905 Mn\n0.252170 0.852803 0.204094 Mn\n0.752170 0.147197 0.795905 Mn\n0.709313 0.750729 -0.000000 Zn\n0.209313 0.249270 -0.000000 Zn\n0.805825 0.563853 0.605226 Zn\n0.305825 0.436147 0.394773 Zn\n0.805825 0.958626 0.394773 Zn\n0.305825 0.041374 0.605226 Zn\n0.316103 0.633020 -0.000000 O\n0.816104 0.366980 -0.000000 O\n0.437028 0.144444 0.153404 O\n0.937029 0.855557 0.846595 O\n0.058678 0.565636 0.260946 O\n0.558678 0.434365 0.739054 O\n0.193594 0.061521 0.403463 O\n0.058678 0.304689 0.739054 O\n0.693594 0.341944 0.403463 O\n0.193594 0.658056 0.596536 O\n0.937029 0.008961 0.153404 O\n0.693594 0.938479 0.596536 O\n0.558678 0.695311 0.260945 O\n0.437028 0.991040 0.846595 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.906078643326651,
"density_atomic": 0.1020827496825955,
"volume": 235.10338499524036,
"volume_molar": 5.899273656640872,
"formula_full": "Mn4 Zn6 O14",
"formula_reduced": "Mn2Zn3O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.957221681896552,
"spacegroup": 36
},
{
"id": "jvasp-42370",
"created_at": "2022-09-04T14:37:28.845296Z",
"updated_at": "2022-09-04T14:37:28.845319Z",
"structure_string": "Fe8 O12 F4\n1.0\n0.000000 -0.000000 -5.780669\n4.603219 4.603219 0.000000\n4.312315 -4.312315 2.890335\nFe O F\n8 12 4\ndirect\n0.500045 0.031707 0.000091 Fe\n0.000045 0.968294 0.000091 Fe\n0.749965 0.500000 0.999932 Fe\n0.249965 0.500000 0.999932 Fe\n0.500033 -0.000000 0.500066 Fe\n0.000033 0.000000 0.500066 Fe\n0.749954 0.531707 0.499908 Fe\n0.249954 0.468293 0.499908 Fe\n0.751763 0.809698 0.503528 O\n0.597875 0.500000 0.695752 O\n0.097875 0.500000 0.695752 O\n0.902213 0.500000 0.304426 O\n0.402213 0.500000 0.304426 O\n0.152123 0.000000 0.804247 O\n0.251763 0.190302 0.503528 O\n0.998235 0.690302 0.996470 O\n0.498235 0.309698 0.996470 O\n0.847786 -0.000000 0.195574 O\n0.347786 -0.000000 0.195574 O\n0.652123 -0.000000 0.804247 O\n0.748247 0.224279 0.496495 F\n0.001753 0.275721 0.003505 F\n0.501753 0.724279 0.003505 F\n0.248246 0.775722 0.496495 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.171551686072826,
"density_atomic": 0.10457575997586101,
"volume": 229.49869076294416,
"volume_molar": 5.758639250042339,
"formula_full": "Fe8 O12 F4",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.314663630416667,
"spacegroup": 64
},
{
"id": "jvasp-34491",
"created_at": "2022-09-04T14:37:19.830923Z",
"updated_at": "2022-09-04T14:37:19.830945Z",
"structure_string": "Si8 O16\n1.0\n4.805242 0.000000 1.129147\n2.402620 7.601787 0.564574\n0.009096 0.000000 10.750546\nSi O\n8 16\ndirect\n0.886425 0.379843 0.615971 Si\n0.113575 0.620157 0.384029 Si\n0.382239 0.120157 0.884030 Si\n0.497604 0.120157 0.615971 Si\n0.617761 0.879843 0.115971 Si\n0.502396 0.879843 0.384029 Si\n0.266268 0.620157 0.115971 Si\n0.733732 0.379843 0.884030 Si\n0.500000 -0.000000 0.500000 O\n0.423012 0.750000 0.153975 O\n0.038162 0.250000 0.923676 O\n0.498729 0.002542 0.750000 O\n0.500000 0.500000 -0.000000 O\n0.826987 0.750000 0.346025 O\n0.173013 0.250000 0.653976 O\n0.248729 0.502543 0.250000 O\n0.961838 0.750000 0.076324 O\n0.501271 0.997458 0.250000 O\n0.000000 0.500000 0.500000 O\n0.711838 0.250000 0.576324 O\n0.576988 0.250000 0.846025 O\n0.288162 0.750000 0.423676 O\n0.751271 0.497458 0.750000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.032941874673189,
"density_atomic": 0.061127426617657334,
"volume": 392.6224499865881,
"volume_molar": 9.85178191398039,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.452821866666667,
"spacegroup": 70
},
{
"id": "jvasp-42975",
"created_at": "2022-09-04T14:37:27.058164Z",
"updated_at": "2022-09-04T14:37:27.058179Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n-5.162115 -0.027115 0.016678\n2.396326 5.417612 0.025328\n-0.072436 -2.289794 -8.751923\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.259302 0.683536 0.188772 Li\n0.756615 0.681008 0.689730 Li\n0.243654 0.321835 0.312097 Li\n0.739445 0.314946 0.809333 Li\n0.790114 0.769377 0.376740 Mn\n0.285997 0.758793 0.872494 Mn\n0.713376 0.237468 0.125078 Mn\n0.212277 0.233234 0.626195 Fe\n0.720833 0.261068 0.463550 B\n0.222226 0.256674 0.959647 B\n0.777771 0.739998 0.038251 B\n0.279212 0.741847 0.538371 B\n0.947906 0.188234 0.443321 O\n0.557776 0.820822 0.062943 O\n0.058237 0.821768 0.565002 O\n0.368827 0.705550 0.394076 O\n0.894844 0.690636 0.158022 O\n0.397657 0.690278 0.656174 O\n0.132426 0.297894 0.103525 O\n0.867470 0.699542 0.894333 O\n0.606165 0.309469 0.342964 O\n0.104538 0.305095 0.838912 O\n0.620563 0.293558 0.605294 O\n0.442760 0.177358 0.935166 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.294157597240715,
"density_atomic": 0.0984388210351764,
"volume": 243.8062519198983,
"volume_molar": 6.117648196790199,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.4060037315613023,
"spacegroup": 1
},
{
"id": "jvasp-45563",
"created_at": "2022-09-04T14:37:13.437007Z",
"updated_at": "2022-09-04T14:37:13.437033Z",
"structure_string": "Ti8 O16\n1.0\n5.183303 0.000000 0.000000\n0.000000 5.987251 0.000000\n0.000000 0.000000 9.893183\nTi O\n8 16\ndirect\n0.493217 0.500000 0.736237 Ti\n0.493217 0.500000 0.263763 Ti\n0.506783 0.000000 0.763762 Ti\n0.506783 0.000000 0.236237 Ti\n0.000000 0.250000 0.750000 Ti\n0.000000 0.750000 0.250000 Ti\n0.000000 0.750000 0.750000 Ti\n0.000000 0.250000 0.250000 Ti\n0.333055 0.751088 0.348190 O\n0.333055 0.248912 0.651810 O\n0.333055 0.248912 0.348190 O\n0.333055 0.751088 0.651810 O\n0.666945 0.748912 0.151810 O\n0.666945 0.251088 0.848190 O\n0.832949 0.000000 0.345533 O\n0.166607 0.000000 0.150512 O\n0.167051 0.500000 0.154466 O\n0.167051 0.500000 0.845533 O\n0.666945 0.748912 0.848190 O\n0.166607 0.000000 0.849488 O\n0.833392 0.500000 0.349488 O\n0.833392 0.500000 0.650511 O\n0.832949 0.000000 0.654466 O\n0.666945 0.251088 0.151810 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.4556506099102062,
"density_atomic": 0.07817018447489694,
"volume": 307.02243011473513,
"volume_molar": 7.703884544284158,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.537238444444445,
"spacegroup": 59
},
{
"id": "jvasp-101846",
"created_at": "2022-09-04T14:37:07.749518Z",
"updated_at": "2022-09-04T14:37:07.749553Z",
"structure_string": "H9 C13 S1 N1\n1.0\n4.522146 -0.023532 0.093273\n-2.221877 6.032521 -0.097403\n0.331122 0.072285 8.844218\nH C S N\n9 13 1 1\ndirect\n0.550450 0.124721 0.798437 H\n0.685622 0.298914 0.346343 H\n0.967344 0.124486 0.963029 H\n0.100450 0.692965 0.078294 H\n0.274048 0.868452 0.627559 H\n0.402592 0.692538 0.847290 H\n0.405085 0.868883 0.297861 H\n0.384887 0.124500 0.127306 H\n0.424278 0.299142 0.579238 H\n0.389049 0.288586 0.164943 C\n0.642194 0.387049 0.635343 C\n0.555555 0.386968 0.290243 C\n0.710230 0.288671 0.760739 C\n0.840129 0.600451 0.585984 C\n0.229811 0.398576 0.083872 C\n0.407025 0.707999 0.257439 C\n0.979191 0.398513 0.841827 C\n0.240033 0.611005 0.133354 C\n0.111351 0.707726 0.668050 C\n0.181238 0.610745 0.792233 C\n0.764971 0.719274 0.462720 C\n0.570999 0.600534 0.339514 C\n0.903718 0.996686 0.462628 S\n0.052147 0.293923 0.962907 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.4579639714726946,
"density_atomic": 0.09973461202754716,
"volume": 240.63862597040122,
"volume_molar": 6.038165324528116,
"formula_full": "H9 C13 S1 N1",
"formula_reduced": "H9C13SN",
"formula_anonymous": "ABC9D13",
"energy_above_hull": 5.77556846875,
"spacegroup": 5
},
{
"id": "jvasp-43951",
"created_at": "2022-09-04T14:37:19.717508Z",
"updated_at": "2022-09-04T14:37:19.717527Z",
"structure_string": "Li4 Fe4 F16\n1.0\n4.609082 0.000000 0.000000\n-0.000000 5.665076 0.000000\n0.000000 0.000000 10.058325\nLi Fe F\n4 4 16\ndirect\n0.000000 0.809158 0.250000 Li\n0.000000 0.190842 0.750000 Li\n0.500000 0.309158 0.250000 Li\n0.500000 0.690843 0.750000 Li\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.777016 0.486429 0.657414 F\n0.777016 0.513572 0.157414 F\n0.722983 0.013572 0.157414 F\n0.722983 0.986429 0.657414 F\n0.732810 0.739481 0.918370 F\n0.732810 0.260519 0.418370 F\n0.267189 0.739481 0.581629 F\n0.222984 0.513572 0.342586 F\n0.277016 0.986429 0.842585 F\n0.277016 0.013572 0.342586 F\n0.767189 0.760520 0.418370 F\n0.222984 0.486429 0.842585 F\n0.232811 0.760520 0.081630 F\n0.232811 0.239481 0.581629 F\n0.267189 0.260519 0.081630 F\n0.767189 0.239481 0.918370 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5098529441783266,
"density_atomic": 0.09138299808275618,
"volume": 262.630910601835,
"volume_molar": 6.590001298213445,
"formula_full": "Li4 Fe4 F16",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2296494383333333,
"spacegroup": 60
},
{
"id": "jvasp-57381",
"created_at": "2022-09-04T14:37:09.807062Z",
"updated_at": "2022-09-04T14:37:09.807072Z",
"structure_string": "Rb2 Pr2 Mo4 O16\n1.0\n6.336099 0.000000 0.000000\n0.000000 6.335769 0.000000\n0.000000 0.000000 9.670830\nRb Pr Mo O\n2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.250004 Mo\n0.000000 0.500000 0.750004 Mo\n0.000000 0.500000 0.249996 Mo\n0.500000 0.000000 0.749996 Mo\n0.882615 0.307888 0.639649 O\n0.617385 0.807888 0.139649 O\n0.617385 0.192112 0.860351 O\n0.807916 0.382594 0.139636 O\n0.882615 0.692112 0.360351 O\n0.307916 0.117406 0.639636 O\n0.117385 0.692112 0.639649 O\n0.307916 0.882594 0.360364 O\n0.807916 0.617406 0.860364 O\n0.117385 0.307888 0.360351 O\n0.692084 0.117406 0.360364 O\n0.692084 0.882594 0.639636 O\n0.382615 0.807888 0.860351 O\n0.192084 0.617406 0.139636 O\n0.192084 0.382594 0.860364 O\n0.382615 0.192112 0.139649 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Pr-Rb",
"density": 4.672894992291885,
"density_atomic": 0.06181960184762593,
"volume": 388.22637614450565,
"volume_molar": 9.741474516195495,
"formula_full": "Rb2 Pr2 Mo4 O16",
"formula_reduced": "RbPr(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0365408041666666,
"spacegroup": 126
},
{
"id": "jvasp-44487",
"created_at": "2022-09-04T14:37:29.117321Z",
"updated_at": "2022-09-04T14:37:29.117349Z",
"structure_string": "Li4 V2 As2 C2 O14\n1.0\n0.000000 5.011166 0.017022\n6.526315 0.000000 0.000000\n0.000000 -0.488936 -8.603267\nLi V As C O\n4 2 2 2 14\ndirect\n0.780411 0.489647 0.207378 Li\n0.780411 0.010352 0.207378 Li\n0.219589 0.510352 0.792623 Li\n0.219589 0.989647 0.792623 Li\n0.204544 0.250000 0.332315 V\n0.795456 0.749999 0.667685 V\n0.286857 0.749999 0.415914 As\n0.713143 0.250000 0.584087 As\n0.275042 0.250000 0.048701 C\n0.724959 0.749999 0.951300 C\n0.526676 0.749999 0.842629 O\n0.827205 0.044863 0.693363 O\n0.827205 0.455136 0.693363 O\n0.165386 0.749999 0.600109 O\n0.369363 0.250000 0.554005 O\n0.630637 0.749999 0.445995 O\n0.037263 0.250000 0.104423 O\n0.172795 0.544863 0.306638 O\n0.172795 0.955136 0.306638 O\n0.473325 0.250000 0.157372 O\n0.962737 0.749999 0.895578 O\n0.687721 0.749999 0.095097 O\n0.834614 0.250000 0.399892 O\n0.312280 0.250000 0.904904 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"V",
"As",
"C",
"O"
],
"chemical_system": "As-C-Li-O-V",
"density": 3.1137792514915836,
"density_atomic": 0.08531489608190397,
"volume": 281.31078044049343,
"volume_molar": 7.058721321325443,
"formula_full": "Li4 V2 As2 C2 O14",
"formula_reduced": "Li2VAsCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.9967175375000004,
"spacegroup": 11
},
{
"id": "jvasp-49723",
"created_at": "2022-09-04T14:37:16.960397Z",
"updated_at": "2022-09-04T14:37:16.960415Z",
"structure_string": "Ca12 Mn2 N10\n1.0\n3.099810 -5.369027 0.000000\n3.099810 5.369027 0.000000\n0.000000 0.000000 12.272874\nCa Mn N\n12 2 10\ndirect\n0.605605 0.605605 0.881128 Ca\n-0.000000 0.394395 0.881128 Ca\n0.394395 -0.000000 0.618872 Ca\n0.605605 0.605605 0.618872 Ca\n0.394395 0.394395 0.118872 Ca\n0.605605 -0.000000 0.118872 Ca\n0.394395 0.394395 0.381128 Ca\n0.605605 -0.000000 0.381128 Ca\n-0.000000 0.394395 0.618872 Ca\n-0.000000 0.605605 0.118872 Ca\n0.394395 -0.000000 0.881128 Ca\n-0.000000 0.605605 0.381128 Ca\n0.000000 0.000000 0.750000 Mn\n0.000000 0.000000 0.250000 Mn\n0.287316 -0.000000 0.250000 N\n0.666667 0.333333 0.000000 N\n0.333333 0.666667 0.500000 N\n0.333333 0.666667 0.000000 N\n0.712684 -0.000000 0.750000 N\n-0.000000 0.287316 0.250000 N\n-0.000000 0.712684 0.750000 N\n0.712684 0.712684 0.250000 N\n0.666667 0.333333 0.500000 N\n0.287316 0.287316 0.750000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"N"
],
"chemical_system": "Ca-Mn-N",
"density": 2.970897720118662,
"density_atomic": 0.058749517960243094,
"volume": 408.51399012739563,
"volume_molar": 10.250536462401778,
"formula_full": "Ca12 Mn2 N10",
"formula_reduced": "Ca6MnN5",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.696763000948276,
"spacegroup": 193
}
]
}