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=-id&page=3534",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3532",
"results": [
{
"id": "jvasp-119194",
"created_at": "2022-09-04T14:38:36.397867Z",
"updated_at": "2022-09-04T14:38:36.397885Z",
"structure_string": "Cu4 Se4 S4\n1.0\n5.998945 -0.000000 0.000000\n0.000000 5.998945 0.000000\n0.000000 -0.000000 5.998945\nCu Se S\n4 4 4\ndirect\n0.512519 0.487480 0.987479 Cu\n0.487480 0.987479 0.512519 Cu\n0.987479 0.512519 0.487480 Cu\n0.012520 0.012520 0.012520 Cu\n0.889992 0.110007 0.610006 Se\n0.110007 0.610006 0.889992 Se\n0.610006 0.889992 0.110007 Se\n0.389993 0.389993 0.389993 Se\n0.104403 0.895596 0.395596 S\n0.895596 0.395596 0.104403 S\n0.395596 0.104403 0.895596 S\n0.604403 0.604403 0.604403 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Se",
"S"
],
"chemical_system": "Cu-S-Se",
"density": 5.371017257819447,
"density_atomic": 0.05558487141991912,
"volume": 215.88608003327573,
"volume_molar": 10.834136350708432,
"formula_full": "Cu4 Se4 S4",
"formula_reduced": "CuSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8003846055555555,
"spacegroup": 198
},
{
"id": "jvasp-119192",
"created_at": "2022-09-04T14:38:52.008491Z",
"updated_at": "2022-09-04T14:38:52.008517Z",
"structure_string": "Ga1 Fe19 N5\n1.0\n3.745502 0.000000 0.000000\n0.000000 8.348369 0.000000\n-0.000000 -0.000000 8.348369\nGa Fe N\n1 19 5\ndirect\n0.000000 0.000000 0.000000 Ga\n-0.000000 0.592976 0.801272 Fe\n-0.000000 0.198728 0.592976 Fe\n-0.000000 0.801272 0.407024 Fe\n-0.000000 0.407025 0.198728 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.612745 0.306311 Fe\n0.500000 0.199130 0.097722 Fe\n0.500000 0.387255 0.693689 Fe\n0.500000 0.902278 0.199130 Fe\n0.500000 0.800870 0.902278 Fe\n0.500000 0.097723 0.800870 Fe\n0.500000 0.693690 0.612745 Fe\n0.500000 0.306311 0.387255 Fe\n-0.000000 0.100300 0.292714 Fe\n-0.000000 0.707286 0.100300 Fe\n-0.000000 0.292714 0.899700 Fe\n-0.000000 0.899700 0.707286 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.700039 0.101419 N\n0.500000 0.500000 0.500000 N\n0.500000 0.898582 0.700038 N\n0.500000 0.299962 0.898582 N\n0.500000 0.101419 0.299962 N\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"N"
],
"chemical_system": "Fe-Ga-N",
"density": 7.638544782381768,
"density_atomic": 0.09576938573823478,
"volume": 261.0437542988129,
"volume_molar": 6.288168931625226,
"formula_full": "Ga1 Fe19 N5",
"formula_reduced": "GaFe19N5",
"formula_anonymous": "AB5C19",
"energy_above_hull": 4.624745322999999,
"spacegroup": 83
},
{
"id": "jvasp-119187",
"created_at": "2022-09-04T14:38:52.734938Z",
"updated_at": "2022-09-04T14:38:52.734967Z",
"structure_string": "Ga1 Sb3 Pb4 O13\n1.0\n6.487679 -0.004323 3.649162\n2.132247 6.127277 3.649162\n-0.006085 -0.004323 7.443542\nGa Sb Pb O\n1 3 4 13\ndirect\n0.499489 0.499490 0.499489 Ga\n0.001050 0.499789 0.499788 Sb\n0.499789 0.499789 0.001050 Sb\n0.499788 0.001050 0.499788 Sb\n0.997330 0.997332 0.997329 Pb\n0.505200 0.998309 0.998307 Pb\n0.998308 0.998309 0.505199 Pb\n0.998308 0.505202 0.998307 Pb\n0.178846 0.573234 0.178846 O\n0.178846 0.178847 0.573233 O\n0.571210 0.571211 0.176993 O\n0.573233 0.178847 0.178846 O\n0.176993 0.571211 0.571210 O\n0.426701 0.426702 0.826077 O\n0.823733 0.424806 0.823733 O\n0.823734 0.823735 0.424804 O\n0.571210 0.176994 0.571210 O\n0.424805 0.823735 0.823733 O\n0.826077 0.426702 0.426701 O\n0.426701 0.826078 0.426701 O\n0.123646 0.123646 0.123646 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ga",
"Sb",
"Pb",
"O"
],
"chemical_system": "Ga-O-Pb-Sb",
"density": 8.251991402669674,
"density_atomic": 0.07090577069972512,
"volume": 296.1677137525481,
"volume_molar": 8.493160289453488,
"formula_full": "Ga1 Sb3 Pb4 O13",
"formula_reduced": "GaSb3Pb4O13",
"formula_anonymous": "AB3C4D13",
"energy_above_hull": 2.141882352619048,
"spacegroup": 160
},
{
"id": "jvasp-119186",
"created_at": "2022-09-04T14:38:36.335871Z",
"updated_at": "2022-09-04T14:38:36.335886Z",
"structure_string": "Ga1 H6 N2 F3\n1.0\n4.064977 -0.065058 3.266072\n2.128081 3.464035 3.266072\n-0.076207 -0.041825 6.832909\nGa H N F\n1 6 2 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.826597 0.826597 0.032736 H\n0.173403 0.173402 0.967264 H\n0.367226 0.957437 0.767910 H\n0.042562 0.632774 0.232090 H\n0.632774 0.042562 0.232090 H\n0.957438 0.367226 0.767910 H\n0.779914 0.779914 0.218387 N\n0.220086 0.220085 0.781613 N\n0.481529 0.481529 0.236184 F\n0.518471 0.518471 0.763816 F\n0.000000 -0.000001 0.500000 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ga",
"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N",
"density": 2.715844249559729,
"density_atomic": 0.12206945659537843,
"volume": 98.30468927027502,
"volume_molar": 4.933372301280482,
"formula_full": "Ga1 H6 N2 F3",
"formula_reduced": "GaH6N2F3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.4261158060416665,
"spacegroup": 12
},
{
"id": "jvasp-119184",
"created_at": "2022-09-04T14:38:36.324249Z",
"updated_at": "2022-09-04T14:38:36.324261Z",
"structure_string": "Hf8 Sc4 Ga12\n1.0\n3.889362 -0.000000 0.249950\n-0.015634 3.834811 0.243277\n-0.005665 -0.008071 30.473395\nHf Sc Ga\n8 4 12\ndirect\n0.732551 0.732550 0.534900 Hf\n0.066149 0.066148 0.867704 Hf\n0.981475 0.481475 0.037051 Hf\n0.314581 0.814580 0.370839 Hf\n0.647980 0.147980 0.704040 Hf\n0.935383 0.935382 0.129235 Hf\n0.267601 0.267601 0.464798 Hf\n0.601187 0.601186 0.797629 Hf\n0.518035 0.018034 0.963931 Sc\n0.399233 0.399233 0.201533 Sc\n0.850685 0.350685 0.298632 Sc\n0.184514 0.684512 0.630976 Sc\n0.222002 0.222001 0.555997 Ga\n0.472668 0.972667 0.054665 Ga\n0.805349 0.305349 0.389304 Ga\n0.139027 0.639026 0.721949 Ga\n0.444485 0.444484 0.111031 Ga\n0.777618 0.777617 0.444767 Ga\n0.111225 0.111225 0.777551 Ga\n0.361114 0.861112 0.277775 Ga\n0.694619 0.194619 0.610762 Ga\n0.028219 0.528218 0.943566 Ga\n0.888751 0.888750 0.222500 Ga\n0.555569 0.555568 0.888866 Ga\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hf",
"Sc",
"Ga"
],
"chemical_system": "Ga-Hf-Sc",
"density": 8.930364300094649,
"density_atomic": 0.052802629940406076,
"volume": 454.52281500157846,
"volume_molar": 11.405001544045605,
"formula_full": "Hf8 Sc4 Ga12",
"formula_reduced": "Hf2ScGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1747313708333333,
"spacegroup": 44
},
{
"id": "jvasp-119181",
"created_at": "2022-09-04T14:38:53.191893Z",
"updated_at": "2022-09-04T14:38:53.191922Z",
"structure_string": "K4 S2 O8\n1.0\n5.744561 -0.038163 0.004653\n-2.698538 5.071423 0.004653\n-0.006769 -0.011185 7.858863\nK S O\n4 2 8\ndirect\n0.308753 0.691246 0.249999 K\n0.691246 0.308755 0.749999 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.651071 0.348930 0.249999 S\n0.348929 0.651071 0.749999 S\n0.738040 0.261977 0.095419 O\n0.261960 0.738024 0.904580 O\n0.261976 0.738040 0.595419 O\n0.738023 0.261961 0.404580 O\n0.355273 0.230512 0.249981 O\n0.644727 0.769489 0.750018 O\n0.230511 0.355274 0.749981 O\n0.769488 0.644727 0.250018 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"S",
"O"
],
"chemical_system": "K-O-S",
"density": 2.5366771675046316,
"density_atomic": 0.06136467331118868,
"volume": 228.14429287358996,
"volume_molar": 9.81369318053874,
"formula_full": "K4 S2 O8",
"formula_reduced": "K2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2937814285714282,
"spacegroup": 63
},
{
"id": "jvasp-119180",
"created_at": "2022-09-04T14:38:51.584816Z",
"updated_at": "2022-09-04T14:38:51.584838Z",
"structure_string": "In5 Ga5 S15\n1.0\n6.665352 0.001668 0.508406\n3.272617 5.742870 0.948584\n-0.074272 -0.065567 15.302621\nIn Ga S\n5 5 15\ndirect\n0.655458 0.668912 0.003536 In\n0.340407 0.322315 0.012530 In\n0.993713 0.016505 0.003824 In\n0.003204 0.416572 0.740469 In\n0.665893 0.082666 0.740056 In\n0.332463 0.925645 0.317080 Ga\n0.014582 0.574523 0.253892 Ga\n-0.024858 0.841414 0.447804 Ga\n0.687740 0.484311 0.447788 Ga\n0.331228 0.749035 0.753945 Ga\n0.671172 0.571627 0.289641 S\n0.324214 0.700790 0.901688 S\n0.666885 0.030853 0.903383 S\n0.003224 0.373379 0.903353 S\n0.030242 0.769736 0.678035 S\n0.333682 0.074381 0.676589 S\n0.331370 0.827859 0.471579 S\n0.329157 0.968240 0.092636 S\n0.666126 0.311390 0.092533 S\n0.993024 0.647448 0.091571 S\n0.356527 0.249927 0.278092 S\n0.671549 0.158854 0.499758 S\n0.993685 0.497085 0.497649 S\n0.638665 0.465062 0.680628 S\n-0.009179 0.915336 0.289838 S\n",
"nsites": 25,
"nelements": 3,
"elements": [
"In",
"Ga",
"S"
],
"chemical_system": "Ga-In-S",
"density": 3.976254699223959,
"density_atomic": 0.04264783551915896,
"volume": 586.1962206445176,
"volume_molar": 14.12062461480521,
"formula_full": "In5 Ga5 S15",
"formula_reduced": "InGaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.883934459,
"spacegroup": 1
},
{
"id": "jvasp-119179",
"created_at": "2022-09-04T14:38:50.170111Z",
"updated_at": "2022-09-04T14:38:50.170136Z",
"structure_string": "K3 Ag9 Sb4 S12\n1.0\n8.980499 0.040403 -3.534032\n-4.153214 7.962525 -3.534032\n-0.024370 -0.040403 9.650810\nK Ag Sb S\n3 9 4 12\ndirect\n0.000000 0.000000 0.000000 K\n0.669426 0.669425 0.000000 K\n0.330574 0.330574 0.000000 K\n0.359823 0.504898 0.521704 Ag\n0.983195 0.838119 0.478296 Ag\n0.516605 0.004033 0.173765 Ag\n0.830268 0.342840 0.826235 Ag\n0.657160 0.483394 0.487428 Ag\n0.995967 0.169732 0.512572 Ag\n0.495102 0.016805 0.854925 Ag\n0.161881 0.640176 0.145075 Ag\n0.250000 0.750000 0.500000 Ag\n0.108411 0.601123 0.734565 Sb\n0.866559 0.373845 0.265435 Sb\n0.398877 0.133442 0.507288 Sb\n0.626155 0.891589 0.492712 Sb\n0.581504 0.808178 0.695717 S\n0.112462 0.885786 0.304283 S\n0.799917 0.082746 0.203696 S\n0.879050 0.596220 0.796304 S\n0.403779 0.200083 0.282829 S\n0.917254 0.120950 0.717171 S\n0.191822 0.887538 0.773326 S\n0.114213 0.418496 0.226675 S\n0.340996 0.682476 0.017170 S\n0.665308 0.323826 0.982830 S\n0.676174 0.659004 0.341481 S\n0.317524 0.334692 0.658519 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-K-S-Sb",
"density": 4.722425661388967,
"density_atomic": 0.0406287809346205,
"volume": 689.1666290715779,
"volume_molar": 14.82235159772768,
"formula_full": "K3 Ag9 Sb4 S12",
"formula_reduced": "K3Ag9(SbS3)4",
"formula_anonymous": "A3B4C9D12",
"energy_above_hull": 1.082565847857143,
"spacegroup": 82
},
{
"id": "jvasp-119178",
"created_at": "2022-09-04T14:38:48.893103Z",
"updated_at": "2022-09-04T14:38:48.893122Z",
"structure_string": "K1 Ba3 Fe8 As8\n1.0\n6.700412 -0.029611 1.983629\n-2.253687 7.552011 3.848523\n-0.023953 0.071375 7.848937\nK Ba Fe As\n1 3 8 8\ndirect\n0.000000 0.000000 0.000000 K\n-0.000033 0.492054 0.753915 Ba\n0.000000 0.000000 0.500000 Ba\n0.000033 0.507946 0.246085 Ba\n0.499648 0.874645 0.937406 Fe\n0.500491 0.874757 0.437831 Fe\n0.499313 0.375051 0.687642 Fe\n0.500142 0.375403 0.187258 Fe\n0.500352 0.125355 0.062594 Fe\n0.499858 0.624598 0.812742 Fe\n0.500687 0.624950 0.312358 Fe\n0.499509 0.125244 0.562169 Fe\n0.694115 0.173402 0.240140 As\n0.305714 0.326510 0.509955 As\n0.305770 0.325970 0.010929 As\n0.307281 0.826977 0.260047 As\n0.305885 0.826598 0.759860 As\n0.694286 0.673490 0.490045 As\n0.694230 0.674031 0.989071 As\n0.692719 0.173024 0.739953 As\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Ba",
"Fe",
"As"
],
"chemical_system": "As-Ba-Fe-K",
"density": 6.296566420148849,
"density_atomic": 0.05065255523907348,
"volume": 394.84681287257075,
"volume_molar": 11.889115428780006,
"formula_full": "K1 Ba3 Fe8 As8",
"formula_reduced": "KBa3(FeAs)8",
"formula_anonymous": "AB3C8D8",
"energy_above_hull": 2.7773976955,
"spacegroup": 2
},
{
"id": "jvasp-119177",
"created_at": "2022-09-04T14:38:36.253946Z",
"updated_at": "2022-09-04T14:38:36.253961Z",
"structure_string": "K1 Fe4 Si3 O12\n1.0\n5.210468 -0.020180 -0.468415\n-2.683587 4.502681 -0.403539\n0.100037 0.126158 10.095565\nK Fe Si O\n1 4 3 12\ndirect\n0.501715 0.512238 0.008407 K\n0.990153 0.986422 0.497829 Fe\n0.657104 0.345286 0.496158 Fe\n0.380869 0.660778 0.510434 Fe\n0.091119 0.766286 0.777513 Fe\n0.770188 0.105090 0.782844 Si\n0.899991 0.241732 0.228859 Si\n0.234399 0.911684 0.228468 Si\n0.727162 0.060315 0.610405 O\n0.010844 0.689205 0.586951 O\n0.652346 0.631362 0.390490 O\n0.351832 0.320748 0.588129 O\n0.548015 0.053874 0.164088 O\n0.053180 0.063367 0.166263 O\n0.471825 0.835055 0.828396 O\n0.813697 0.422205 0.840632 O\n0.947277 0.281876 0.391862 O\n0.056970 0.085951 0.841555 O\n0.046264 0.559596 0.168991 O\n0.295055 0.966936 0.391715 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-K-O-Si",
"density": 3.7755197787011814,
"density_atomic": 0.0844089352665796,
"volume": 236.9417400756942,
"volume_molar": 7.134482553275818,
"formula_full": "K1 Fe4 Si3 O12",
"formula_reduced": "KFe4(SiO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.12895589,
"spacegroup": 1
},
{
"id": "jvasp-119174",
"created_at": "2022-09-04T14:38:44.543023Z",
"updated_at": "2022-09-04T14:38:44.543057Z",
"structure_string": "La3 Y1 Sc4 O12\n1.0\n8.068653 -0.000000 0.000000\n0.000000 5.625440 0.015429\n-0.000000 -0.009880 5.807063\nLa Y Sc O\n3 1 4 12\ndirect\n-0.000000 0.990193 0.048873 La\n0.500000 0.489470 0.455979 La\n0.500000 0.014026 0.948943 La\n-0.000000 0.519041 0.559993 Y\n0.246735 0.498786 0.002485 Sc\n0.754447 0.002268 0.500036 Sc\n0.753264 0.498786 0.002485 Sc\n0.245552 0.002268 0.500036 Sc\n0.814477 0.692240 0.307853 O\n0.191876 0.793268 0.792981 O\n0.185523 0.692240 0.307853 O\n0.808123 0.793268 0.792981 O\n0.696006 0.297203 0.704227 O\n-0.000000 0.130129 0.465106 O\n0.500000 0.903168 0.529183 O\n0.500000 0.598995 0.037145 O\n0.700757 0.194196 0.197084 O\n-0.000000 0.399057 0.945440 O\n0.299243 0.194196 0.197084 O\n0.303994 0.297203 0.704227 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Y",
"Sc",
"O"
],
"chemical_system": "La-O-Sc-Y",
"density": 5.527767739170364,
"density_atomic": 0.07587765418111658,
"volume": 263.5822129168739,
"volume_molar": 7.936645940088526,
"formula_full": "La3 Y1 Sc4 O12",
"formula_reduced": "La3YSc4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.8376636725,
"spacegroup": 6
},
{
"id": "jvasp-119173",
"created_at": "2022-09-04T14:38:52.728927Z",
"updated_at": "2022-09-04T14:38:52.728937Z",
"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.614473 0.000700 -0.041853\n-0.015657 5.790295 -0.000422\n-0.006631 0.000254 7.976423\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.502926 0.999391 0.497760 Li\n0.997613 0.497054 0.002012 Li\n0.512494 0.551436 0.749359 La\n0.988882 0.049080 0.749735 La\n0.487119 0.448802 0.251373 La\n0.015125 0.942111 0.247590 Nd\n0.998140 0.498954 0.498427 Sb\n0.501873 0.001012 0.001859 Sb\n0.305709 0.717554 0.053363 O\n0.807073 0.785374 0.549261 O\n0.789805 0.806684 0.955636 O\n0.284368 0.697539 0.451905 O\n0.212238 0.192678 0.050469 O\n0.409587 0.972042 0.758428 O\n0.602126 0.029789 0.243270 O\n0.091649 0.470512 0.741635 O\n0.186457 0.211618 0.446707 O\n0.907335 0.533446 0.255988 O\n0.708007 0.306924 0.545508 O\n0.691465 0.288002 0.949717 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"La",
"Nd",
"Sb",
"O"
],
"chemical_system": "La-Li-Nd-O-Sb",
"density": 6.470040534964601,
"density_atomic": 0.07712846250654753,
"volume": 259.30764532356875,
"volume_molar": 7.807935701413434,
"formula_full": "Li2 La3 Nd1 Sb2 O12",
"formula_reduced": "Li2La3Nd(SbO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.438656535,
"spacegroup": 1
}
]
}