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=energy_above_hull&page=4148",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4146",
"results": [
{
"id": "jvasp-62101",
"created_at": "2022-09-04T14:36:10.566022Z",
"updated_at": "2022-09-04T14:36:10.566047Z",
"structure_string": "Hf6 Al16 Co7\n1.0\n-0.000000 5.995695 5.995695\n5.995695 -0.000000 5.995695\n5.995695 5.995695 0.000000\nHf Al Co\n6 16 7\ndirect\n0.689809 0.310190 0.689809 Hf\n0.689809 0.310190 0.310190 Hf\n0.310190 0.689809 0.689809 Hf\n0.310190 0.310190 0.689809 Hf\n0.689809 0.689809 0.310190 Hf\n0.310190 0.689809 0.310190 Hf\n0.007114 0.664295 0.664295 Al\n0.664295 0.007114 0.664295 Al\n0.664295 0.664295 0.664295 Al\n0.992886 0.335704 0.335704 Al\n0.118302 0.645092 0.118302 Al\n0.335704 0.335704 0.335704 Al\n0.118302 0.118302 0.118302 Al\n0.118302 0.118302 0.645092 Al\n0.645092 0.118302 0.118302 Al\n0.881697 0.881697 0.881697 Al\n0.335704 0.335704 0.992886 Al\n0.664295 0.664295 0.007114 Al\n0.881697 0.354907 0.881697 Al\n0.881697 0.881697 0.354907 Al\n0.354907 0.881697 0.881697 Al\n0.335704 0.992886 0.335704 Al\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Co"
],
"chemical_system": "Al-Co-Hf",
"density": 7.377503404896746,
"density_atomic": 0.06727433375815094,
"volume": 431.0707870293308,
"volume_molar": 8.951617093153835,
"formula_full": "Hf6 Al16 Co7",
"formula_reduced": "Hf6Al16Co7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.655477210344828,
"spacegroup": 225
},
{
"id": "jvasp-20858",
"created_at": "2022-09-04T14:37:18.082888Z",
"updated_at": "2022-09-04T14:37:18.082913Z",
"structure_string": "Na4 Ta8 O22\n1.0\n6.071851 0.004037 11.316960\n2.847315 5.362852 11.316960\n0.006710 0.004037 12.842932\nNa Ta O\n4 8 22\ndirect\n0.833729 0.833731 0.833730 Na\n0.166270 0.166270 0.166270 Na\n0.333730 0.333730 0.333730 Na\n0.666269 0.666271 0.666270 Na\n0.249999 0.613885 0.886116 Ta\n0.113884 0.750000 0.386116 Ta\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.886115 0.250001 0.613884 Ta\n0.386115 0.113885 0.750000 Ta\n0.613883 0.886116 0.250001 Ta\n0.749999 0.386116 0.113885 Ta\n0.501215 0.750001 0.998784 O\n0.593920 0.593921 0.593921 O\n0.906078 0.906080 0.906079 O\n0.406078 0.406079 0.406079 O\n0.093921 0.093921 0.093921 O\n0.747119 0.438934 0.222140 O\n0.498784 0.250000 0.001216 O\n0.250000 0.001216 0.498784 O\n0.001215 0.498784 0.250000 O\n0.247119 0.722140 0.938934 O\n0.938933 0.247121 0.722140 O\n0.722139 0.938934 0.247121 O\n0.777859 0.252881 0.561066 O\n0.561066 0.777860 0.252881 O\n0.252879 0.561067 0.777860 O\n0.752880 0.277860 0.061067 O\n0.061066 0.752880 0.277861 O\n0.277860 0.061067 0.752880 O\n0.222139 0.747120 0.438934 O\n0.438933 0.222141 0.747120 O\n0.998783 0.501217 0.750000 O\n0.749999 0.998784 0.501216 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Na",
"Ta",
"O"
],
"chemical_system": "Na-O-Ta",
"density": 7.523336457208086,
"density_atomic": 0.08143804120651481,
"volume": 417.4953068159024,
"volume_molar": 7.394751483190446,
"formula_full": "Na4 Ta8 O22",
"formula_reduced": "Na2Ta4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 3.655819605882353,
"spacegroup": 167
},
{
"id": "jvasp-11435",
"created_at": "2022-09-04T14:37:19.361610Z",
"updated_at": "2022-09-04T14:37:19.361630Z",
"structure_string": "Ga1 Si1 Mo4 S8\n1.0\n6.457674 -0.000000 3.728339\n2.152558 6.088353 3.728339\n0.000000 0.000000 7.456680\nGa Si Mo S\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Si\n0.782352 0.405882 0.405883 Mo\n0.405882 0.405882 0.782352 Mo\n0.405882 0.405882 0.405882 Mo\n0.405882 0.782352 0.405883 Mo\n0.136033 0.136033 0.136033 S\n0.591901 0.136033 0.136033 S\n0.136033 0.136033 0.591901 S\n0.136033 0.591901 0.136033 S\n0.625839 0.122481 0.625840 S\n0.625840 0.625839 0.625840 S\n0.625840 0.625839 0.122481 S\n0.122481 0.625839 0.625840 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ga",
"Si",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S-Si",
"density": 4.180575668970773,
"density_atomic": 0.04775365176818611,
"volume": 293.17129646882665,
"volume_molar": 12.610848672335466,
"formula_full": "Ga1 Si1 Mo4 S8",
"formula_reduced": "GaSi(MoS2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.655831751785714,
"spacegroup": 216
},
{
"id": "jvasp-77506",
"created_at": "2022-09-04T14:37:08.107605Z",
"updated_at": "2022-09-04T14:37:08.107640Z",
"structure_string": "Ti2 Mn1 Pt1\n1.0\n-8.212823 0.000001 -4.741677\n-5.460734 0.256131 -0.025083\n-4.678594 2.468358 -1.379790\nTi Mn Pt\n2 1 1\ndirect\n0.768823 -0.000001 -0.000000 Ti\n0.231177 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt-Ti",
"density": 9.470350337436598,
"density_atomic": 0.06597921699187144,
"volume": 60.625151106185385,
"volume_molar": 9.127329838942954,
"formula_full": "Ti2 Mn1 Pt1",
"formula_reduced": "Ti2MnPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.655873827011494,
"spacegroup": 71
},
{
"id": "jvasp-75577",
"created_at": "2022-09-04T14:36:16.985332Z",
"updated_at": "2022-09-04T14:36:16.985350Z",
"structure_string": "Hf1 Fe2 As1\n1.0\n0.000000 3.097474 3.097474\n3.097474 -0.000000 3.097474\n3.097474 3.097474 -0.000000\nHf Fe As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Hf\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"As"
],
"chemical_system": "As-Fe-Hf",
"density": 10.200226818605321,
"density_atomic": 0.06729874830107144,
"volume": 59.43646948833843,
"volume_molar": 8.948369638405481,
"formula_full": "Hf1 Fe2 As1",
"formula_reduced": "HfFe2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6561214375,
"spacegroup": 216
},
{
"id": "jvasp-68034",
"created_at": "2022-09-04T14:35:49.232846Z",
"updated_at": "2022-09-04T14:35:49.232870Z",
"structure_string": "Be1 Mo2 Br1\n1.0\n-1.977076 1.977076 3.917573\n1.977076 -1.977076 3.917573\n1.977076 1.977076 -3.917573\nBe Mo Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750001 0.500001 Mo\n0.750001 0.250000 0.500001 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Br"
],
"chemical_system": "Be-Br-Mo",
"density": 7.612310216120787,
"density_atomic": 0.06530345721881298,
"volume": 61.252499796406774,
"volume_molar": 9.221779391895824,
"formula_full": "Be1 Mo2 Br1",
"formula_reduced": "BeMo2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.65617050125,
"spacegroup": 119
},
{
"id": "jvasp-103902",
"created_at": "2022-09-04T14:37:03.409377Z",
"updated_at": "2022-09-04T14:37:03.409407Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n3.954138 0.000150 1.386610\n1.890044 4.363592 0.941447\n0.160119 -0.062938 5.874348\nZn H C O\n1 2 3 4\ndirect\n0.475798 0.072345 0.397024 Zn\n0.759124 0.368361 0.937330 H\n0.595432 0.776372 0.856650 H\n0.453138 0.511552 0.681314 C\n0.531604 0.572364 0.896987 C\n0.176656 0.633153 0.112673 C\n0.323162 0.729255 0.536309 O\n0.507167 0.235073 0.666190 O\n0.119425 0.415420 0.257648 O\n0.939062 0.909632 0.127825 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.768017450434616,
"density_atomic": 0.09954574379759672,
"volume": 100.45632910566916,
"volume_molar": 6.049621541072246,
"formula_full": "Zn1 H2 C3 O4",
"formula_reduced": "ZnH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.6563694399999993,
"spacegroup": 5
},
{
"id": "jvasp-28769",
"created_at": "2022-09-04T14:37:05.451067Z",
"updated_at": "2022-09-04T14:37:05.451092Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.254693 0.000019 -0.000129\n-1.627329 2.818652 -0.000022\n-0.001378 -0.001046 34.001510\nMo W Se S\n2 2 4 4\ndirect\n0.332917 0.666638 0.088541 Mo\n0.666581 0.333300 0.284346 Mo\n0.333461 0.666735 0.473604 W\n0.667037 0.333321 0.656425 W\n0.333306 0.666679 0.334313 Se\n0.666195 0.333265 0.038618 Se\n0.666309 0.333334 0.138534 Se\n0.333186 0.666599 0.234362 Se\n0.333750 0.666679 0.702085 S\n0.666742 0.333358 0.427895 S\n0.666846 0.333435 0.519293 S\n0.333658 0.666645 0.610731 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.342992405506864,
"density_atomic": 0.03847070006579052,
"volume": 311.92569876498857,
"volume_molar": 15.653837205200995,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.656400438888889,
"spacegroup": 156
},
{
"id": "jvasp-97832",
"created_at": "2022-09-04T14:35:46.778753Z",
"updated_at": "2022-09-04T14:35:46.778785Z",
"structure_string": "Ba12 B8 N16\n1.0\n4.262086 0.000000 0.000000\n0.000000 11.104663 0.000000\n0.000000 0.000000 14.832829\nBa B N\n12 8 16\ndirect\n0.903291 0.311996 0.386111 Ba\n0.096710 0.811996 0.113889 Ba\n0.596711 0.688004 0.886111 Ba\n0.773053 0.154932 0.092802 Ba\n0.273053 0.345068 0.907198 Ba\n0.226948 0.654932 0.407198 Ba\n0.726948 0.845068 0.592802 Ba\n0.651375 0.962143 0.329335 Ba\n0.151374 0.537857 0.670665 Ba\n0.348626 0.462143 0.170665 Ba\n0.848627 0.037857 0.829336 Ba\n0.403290 0.188004 0.613889 Ba\n0.596026 0.499886 0.520964 B\n0.096026 0.000114 0.479036 B\n0.903975 0.500113 0.020964 B\n0.403975 -0.000114 0.979037 B\n0.232853 0.858641 0.738528 B\n0.732854 0.641359 0.261472 B\n0.767148 0.358641 0.761472 B\n0.267147 0.141359 0.238528 B\n0.429802 0.399859 0.504674 N\n0.348819 0.966978 0.715270 N\n0.848820 0.533022 0.284730 N\n0.929803 0.100141 0.495326 N\n0.651182 0.466978 0.784730 N\n0.410139 0.245738 0.258362 N\n0.089861 0.754262 0.758363 N\n0.589862 0.745738 0.241638 N\n0.215527 0.889145 0.463235 N\n0.715527 0.610855 0.536765 N\n0.151181 0.033022 0.215270 N\n0.784474 0.389145 0.036765 N\n0.570199 0.899859 0.995326 N\n0.070198 0.600141 0.004674 N\n0.910140 0.254262 0.741638 N\n0.284474 0.110855 0.963235 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"B",
"N"
],
"chemical_system": "B-Ba-N",
"density": 4.632605825830688,
"density_atomic": 0.05128034270085383,
"volume": 702.0233895472892,
"volume_molar": 11.74356574629469,
"formula_full": "Ba12 B8 N16",
"formula_reduced": "Ba3(BN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.656415119629629,
"spacegroup": 19
},
{
"id": "jvasp-44605",
"created_at": "2022-09-04T14:38:29.544978Z",
"updated_at": "2022-09-04T14:38:29.545008Z",
"structure_string": "Mn5 Fe3 O16\n1.0\n-5.623940 -0.000799 0.000639\n2.811331 4.876816 -0.047544\n-0.001012 -0.008790 -8.692479\nMn Fe O\n5 3 16\ndirect\n0.666314 0.332610 0.512237 Mn\n0.830355 0.660695 0.787844 Mn\n0.332714 0.665411 0.013100 Mn\n0.665955 0.833447 0.288905 Mn\n0.167513 0.833448 0.288907 Mn\n0.835488 0.167006 0.791010 Fe\n0.331530 0.167006 0.791012 Fe\n0.167585 0.335152 0.292833 Fe\n0.666723 0.835811 0.898600 O\n0.332646 0.665268 0.401660 O\n0.042105 0.520815 0.159705 O\n0.478728 0.520813 0.159704 O\n0.831179 0.662339 0.401051 O\n0.169515 0.339021 0.898517 O\n0.514896 0.475444 0.659743 O\n-0.000425 -0.000867 0.680359 O\n0.339568 0.169879 0.398952 O\n0.002440 0.004863 0.181449 O\n0.480295 0.960573 0.157637 O\n0.663485 0.326957 0.900635 O\n0.521599 0.043186 0.663117 O\n0.830329 0.169877 0.398952 O\n0.960562 0.475444 0.659741 O\n0.169098 0.835812 0.898603 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.863503953136863,
"density_atomic": 0.10067505001273444,
"volume": 238.390743257284,
"volume_molar": 5.981760882401605,
"formula_full": "Mn5 Fe3 O16",
"formula_reduced": "Mn5Fe3O16",
"formula_anonymous": "A3B5C16",
"energy_above_hull": 3.656462029454023,
"spacegroup": 8
},
{
"id": "jvasp-112013",
"created_at": "2022-09-04T14:38:41.016630Z",
"updated_at": "2022-09-04T14:38:41.016653Z",
"structure_string": "Zn1 H2 C3 O4\n1.0\n4.431990 -0.361678 1.841441\n2.182701 4.167497 -0.057615\n0.177126 -0.262143 5.810729\nZn H C O\n1 2 3 4\ndirect\n0.178622 0.751172 0.602752 Zn\n0.376347 0.497211 0.019623 H\n0.296552 0.211793 0.197742 H\n0.864378 0.632112 0.303217 C\n0.200039 0.388496 0.099801 C\n0.156777 0.235162 0.891204 C\n0.606046 0.631325 0.290210 O\n0.844412 0.818293 0.478853 O\n0.119495 0.980225 0.916877 O\n0.155468 0.352779 0.698685 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.540868325816888,
"density_atomic": 0.09137681821531964,
"volume": 109.4369468680347,
"volume_molar": 6.5904469838394615,
"formula_full": "Zn1 H2 C3 O4",
"formula_reduced": "ZnH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.656632439999999,
"spacegroup": 1
},
{
"id": "jvasp-111688",
"created_at": "2022-09-04T14:38:37.938676Z",
"updated_at": "2022-09-04T14:38:37.938700Z",
"structure_string": "Tm4 Ni4 B16\n1.0\n3.407293 0.000000 0.000000\n0.000000 5.861359 0.000000\n0.000000 0.000000 11.371729\nTm Ni B\n4 4 16\ndirect\n0.000000 0.627146 0.349723 Tm\n0.000000 0.372855 0.650277 Tm\n0.000000 0.127145 0.150277 Tm\n0.000000 0.872855 0.849723 Tm\n0.000000 0.634545 0.088951 Ni\n0.000000 0.365455 0.911049 Ni\n0.000000 0.134545 0.411049 Ni\n0.000000 0.865455 0.588951 Ni\n0.500000 0.022369 0.691842 B\n0.500000 0.977631 0.308158 B\n0.500000 0.613575 0.952369 B\n0.500000 0.386425 0.047631 B\n0.500000 0.113575 0.547631 B\n0.500000 0.886425 0.452369 B\n0.500000 0.637003 0.532686 B\n0.500000 0.714446 0.685200 B\n0.500000 0.137003 0.967314 B\n0.500000 0.862997 0.032686 B\n0.500000 0.477631 0.191842 B\n0.500000 0.285554 0.314800 B\n0.500000 0.214446 0.814800 B\n0.500000 0.785554 0.185200 B\n0.500000 0.362997 0.467314 B\n0.500000 0.522369 0.808158 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"B"
],
"chemical_system": "B-Ni-Tm",
"density": 7.9220626622061205,
"density_atomic": 0.10567613891577424,
"volume": 227.1089788691885,
"volume_molar": 5.698675994208828,
"formula_full": "Tm4 Ni4 B16",
"formula_reduced": "TmNiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.6566744972222223,
"spacegroup": 55
}
]
}