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=170",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=168",
"results": [
{
"id": "jvasp-19647",
"created_at": "2022-09-04T14:38:29.815459Z",
"updated_at": "2022-09-04T14:38:29.815474Z",
"structure_string": "U1 Ru3\n1.0\n3.998816 -0.000000 -0.000000\n-0.000000 3.998816 -0.000000\n-0.000000 -0.000000 3.998816\nU Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500001 0.500001 Ru\n0.500001 0.500001 0.000000 Ru\n0.500001 0.000000 0.500001 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Ru"
],
"chemical_system": "Ru-U",
"density": 14.055420557177003,
"density_atomic": 0.06255553287221616,
"volume": 63.94318482061221,
"volume_molar": 9.626871490810553,
"formula_full": "U1 Ru3",
"formula_reduced": "URu3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.772406875000001,
"spacegroup": 221
},
{
"id": "jvasp-5512",
"created_at": "2022-09-04T14:36:18.250754Z",
"updated_at": "2022-09-04T14:36:18.250779Z",
"structure_string": "C4 S12 N16\n1.0\n0.000000 5.402189 0.072317\n8.620240 0.000000 0.000000\n0.000000 -3.153233 -11.570669\nC S N\n4 12 16\ndirect\n0.389799 0.159292 0.715166 C\n0.610202 0.659292 0.784834 C\n0.610201 0.840708 0.284833 C\n0.389799 0.340708 0.215166 C\n0.165609 0.924207 0.165662 S\n0.165610 0.575793 0.665662 S\n0.834391 0.075793 0.834337 S\n0.959115 0.168734 0.379125 S\n0.040885 0.668734 0.120875 S\n0.834391 0.424207 0.334337 S\n0.959116 0.331266 0.879125 S\n0.642373 0.284180 0.505234 S\n0.357627 0.784179 0.994766 S\n0.357627 0.715820 0.494766 S\n0.642373 0.215820 0.005233 S\n0.040885 0.831266 0.620875 S\n0.283082 0.937470 0.054451 N\n0.716918 0.437470 0.445549 N\n0.780621 0.355941 0.965177 N\n0.219380 0.855941 0.534822 N\n0.219380 0.644059 0.034822 N\n0.780620 0.144059 0.465177 N\n0.602200 0.414346 0.217888 N\n0.602200 0.085654 0.717888 N\n0.397801 0.585654 0.782112 N\n0.191999 0.277377 0.206971 N\n0.808001 0.777377 0.293028 N\n0.808001 0.722623 0.793029 N\n0.192000 0.222623 0.706971 N\n0.283082 0.562530 0.554451 N\n0.397800 0.914346 0.282112 N\n0.716919 0.062530 0.945549 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 2.031925792771084,
"density_atomic": 0.05960595201154826,
"volume": 536.8591377216861,
"volume_molar": 10.103254048913186,
"formula_full": "C4 S12 N16",
"formula_reduced": "CS3N4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.772306625,
"spacegroup": 14
},
{
"id": "jvasp-14580",
"created_at": "2022-09-04T14:35:52.142053Z",
"updated_at": "2022-09-04T14:35:52.142070Z",
"structure_string": "B2 Mo4\n1.0\n4.430029 0.017111 -1.238387\n-2.546912 3.624733 -1.238387\n-0.008848 -0.017111 4.599857\nB Mo\n2 4\ndirect\n0.750000 0.749999 -0.000001 B\n0.250000 0.250000 -0.000000 B\n0.830355 0.669645 0.499999 Mo\n0.330355 0.830354 0.160708 Mo\n0.169645 0.330355 0.500000 Mo\n0.669645 0.169645 0.839291 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 9.111915202852416,
"density_atomic": 0.08121707815895754,
"volume": 73.87608783779243,
"volume_molar": 7.414869995955168,
"formula_full": "B2 Mo4",
"formula_reduced": "BMo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.772271461111112,
"spacegroup": 140
},
{
"id": "jvasp-20558",
"created_at": "2022-09-04T14:37:32.880548Z",
"updated_at": "2022-09-04T14:37:32.880579Z",
"structure_string": "Zr2 Mo4\n1.0\n4.659326 -0.000000 2.690064\n1.553109 4.392855 2.690064\n-0.000000 -0.000000 5.380126\nZr Mo\n2 4\ndirect\n0.125000 0.125000 0.125000 Zr\n0.875001 0.875001 0.874999 Zr\n-0.000000 0.500001 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500001 -0.000001 Mo\n0.500000 0.500001 0.499999 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mo"
],
"chemical_system": "Mo-Zr",
"density": 8.538128482867492,
"density_atomic": 0.054486490726265456,
"volume": 110.11903905031038,
"volume_molar": 11.052539225281764,
"formula_full": "Zr2 Mo4",
"formula_reduced": "ZrMo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.772158766666665,
"spacegroup": 227
},
{
"id": "jvasp-20367",
"created_at": "2022-09-04T14:37:34.925578Z",
"updated_at": "2022-09-04T14:37:34.925603Z",
"structure_string": "Zr2 Mo4\n1.0\n4.659326 -0.000000 2.690064\n1.553109 4.392855 2.690064\n-0.000000 -0.000000 5.380126\nZr Mo\n2 4\ndirect\n0.125000 0.125000 0.125000 Zr\n0.875001 0.875001 0.874999 Zr\n-0.000000 0.500001 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500001 -0.000001 Mo\n0.500000 0.500001 0.499999 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Mo"
],
"chemical_system": "Mo-Zr",
"density": 8.538128482867492,
"density_atomic": 0.054486490726265456,
"volume": 110.11903905031038,
"volume_molar": 11.052539225281764,
"formula_full": "Zr2 Mo4",
"formula_reduced": "ZrMo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.772158766666665,
"spacegroup": 227
},
{
"id": "jvasp-103953",
"created_at": "2022-09-04T14:36:55.141387Z",
"updated_at": "2022-09-04T14:36:55.141406Z",
"structure_string": "Hf1 H10 C7 O4\n1.0\n4.506718 0.087208 -0.395826\n1.638008 4.649790 0.093969\n-1.000897 0.186846 9.135966\nHf H C O\n1 10 7 4\ndirect\n0.675907 0.163472 0.806399 Hf\n-0.282217 0.914736 0.339345 H\n0.170295 0.773776 0.528895 H\n0.243150 0.403063 0.502365 H\n0.614209 0.565093 0.164756 H\n0.552293 0.695401 0.420783 H\n0.088409 0.684966 0.149428 H\n0.321669 0.432635 0.297960 H\n0.337011 0.785027 0.856961 H\n0.517030 0.172703 0.114583 H\n0.848851 0.269041 0.298131 H\n-0.022315 0.566276 0.667919 C\n0.055992 0.609275 0.517079 C\n0.122067 0.121582 -0.015295 C\n0.769257 0.691882 0.383342 C\n0.824332 0.487719 0.256932 C\n0.124441 0.469371 0.200993 C\n0.253246 0.243278 0.097960 C\n0.881973 0.328390 0.674946 O\n0.271805 0.513027 0.779147 O\n0.741211 0.812942 0.701438 O\n0.383073 0.950619 0.910412 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 2.972000595409697,
"density_atomic": 0.11696456396901704,
"volume": 188.09115558988978,
"volume_molar": 5.1486882485153505,
"formula_full": "Hf1 H10 C7 O4",
"formula_reduced": "HfH10C7O4",
"formula_anonymous": "AB4C7D10",
"energy_above_hull": 4.772040318181818,
"spacegroup": 1
},
{
"id": "jvasp-64921",
"created_at": "2022-09-04T14:36:08.266425Z",
"updated_at": "2022-09-04T14:36:08.266452Z",
"structure_string": "Mn4 Be1 Re1\n1.0\n-0.000000 3.249806 3.249806\n3.249806 0.000000 3.249806\n3.249806 3.249806 0.000000\nMn Be Re\n4 1 1\ndirect\n0.120152 0.626617 0.626617 Mn\n0.626617 0.626617 0.626617 Mn\n0.626617 0.120152 0.626617 Mn\n0.626617 0.626617 0.120152 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Re"
],
"chemical_system": "Be-Mn-Re",
"density": 10.038409765937086,
"density_atomic": 0.08740754978352884,
"volume": 68.6439559838874,
"volume_molar": 6.889726087636903,
"formula_full": "Mn4 Be1 Re1",
"formula_reduced": "Mn4BeRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.772003844252874,
"spacegroup": 216
},
{
"id": "jvasp-26231",
"created_at": "2022-09-04T14:37:16.208359Z",
"updated_at": "2022-09-04T14:37:16.208368Z",
"structure_string": "Co21 B6 Mo2\n1.0\n6.399167 -0.000000 3.694562\n2.133056 6.033193 3.694562\n-0.000000 -0.000000 7.389121\nCo B Mo\n21 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.661674 0.000000 -0.000000 Co\n0.000000 0.000000 0.661674 Co\n0.661674 0.000000 0.338326 Co\n0.000001 0.661674 -0.000000 Co\n0.661675 0.338326 -0.000000 Co\n0.338326 0.000000 0.661674 Co\n0.000001 0.661674 0.338326 Co\n0.000000 0.338326 0.661674 Co\n0.338327 0.661674 -0.000000 Co\n0.000000 0.338326 -0.000000 Co\n0.338326 0.000000 -0.000000 Co\n0.381528 0.381527 0.381527 Co\n0.000000 0.000000 0.338326 Co\n0.144583 0.618472 0.618472 Co\n0.618473 0.144582 0.618472 Co\n0.618473 0.618472 0.144582 Co\n0.381528 0.855417 0.381527 Co\n0.381528 0.381527 0.855417 Co\n0.618473 0.618472 0.618472 Co\n0.855418 0.381527 0.381527 Co\n0.275142 0.724859 0.275141 B\n0.724860 0.275141 0.275141 B\n0.724860 0.724859 0.275140 B\n0.275141 0.275141 0.724859 B\n0.724860 0.275141 0.724858 B\n0.275142 0.724859 0.724858 B\n0.250000 0.250000 0.250000 Mo\n0.750001 0.750000 0.749999 Mo\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Co",
"B",
"Mo"
],
"chemical_system": "B-Co-Mo",
"density": 8.698331953667038,
"density_atomic": 0.10165636046174786,
"volume": 285.27482066321244,
"volume_molar": 5.9240176735090415,
"formula_full": "Co21 B6 Mo2",
"formula_reduced": "Co21(B3Mo)2",
"formula_anonymous": "A2B6C21",
"energy_above_hull": 4.771598144827586,
"spacegroup": 225
},
{
"id": "jvasp-62754",
"created_at": "2022-09-04T14:35:58.011750Z",
"updated_at": "2022-09-04T14:35:58.011779Z",
"structure_string": "Pr2 B4 C4\n1.0\n3.829952 -0.000000 0.000000\n0.000000 3.829952 0.000000\n0.000000 0.000000 7.815654\nPr B C\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.750000 Pr\n0.500000 0.215987 0.500000 B\n0.500000 0.784012 0.500000 B\n0.784012 0.500000 0.000000 B\n0.215987 0.500000 0.000000 B\n0.186960 0.500000 0.500000 C\n0.813040 0.500000 0.500000 C\n0.500000 0.186960 0.000000 C\n0.500000 0.813040 0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"B",
"C"
],
"chemical_system": "B-C-Pr",
"density": 5.404117757968264,
"density_atomic": 0.08722641291310645,
"volume": 114.64417331894455,
"volume_molar": 6.904033490405205,
"formula_full": "Pr2 B4 C4",
"formula_reduced": "Pr(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.770207003333333,
"spacegroup": 131
},
{
"id": "jvasp-90839",
"created_at": "2022-09-04T14:35:47.976455Z",
"updated_at": "2022-09-04T14:35:47.976473Z",
"structure_string": "B6 Mo2\n1.0\n2.607675 1.505541 3.149563\n-2.607675 1.505541 3.149563\n-0.000000 -3.011083 3.149563\nB Mo\n6 2\ndirect\n0.665123 0.334876 -0.000000 B\n0.334875 0.000000 0.665123 B\n0.000000 0.665123 0.334875 B\n0.665123 0.000000 0.334875 B\n0.000000 0.334875 0.665123 B\n0.334876 0.665123 -0.000000 B\n0.835005 0.835005 0.835004 Mo\n0.164994 0.164994 0.164994 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 5.746522173505321,
"density_atomic": 0.10783066663946284,
"volume": 74.19039730829445,
"volume_molar": 5.584812695385929,
"formula_full": "B6 Mo2",
"formula_reduced": "B3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 4.7701609125,
"spacegroup": 166
},
{
"id": "jvasp-110197",
"created_at": "2022-09-04T14:38:12.566090Z",
"updated_at": "2022-09-04T14:38:12.566117Z",
"structure_string": "Nb1 V1 N2\n1.0\n2.919158 0.006512 4.394036\n1.331381 2.597874 4.394036\n0.010629 0.006512 5.275312\nNb V N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500001 0.499998 0.500001 V\n0.242998 0.242997 0.242998 N\n0.757004 0.757000 0.757004 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"V",
"N"
],
"chemical_system": "N-Nb-V",
"density": 7.171549387806183,
"density_atomic": 0.10051846441638404,
"volume": 39.79368390896368,
"volume_molar": 5.991079146468158,
"formula_full": "Nb1 V1 N2",
"formula_reduced": "NbVN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.769902525,
"spacegroup": 166
},
{
"id": "jvasp-36686",
"created_at": "2022-09-04T14:38:03.568698Z",
"updated_at": "2022-09-04T14:38:03.568708Z",
"structure_string": "Ba4 W4 N12\n1.0\n0.000000 7.627640 -0.110562\n5.779235 0.000000 0.000000\n0.000000 -6.761468 -7.606365\nBa W N\n4 4 12\ndirect\n0.291081 0.736649 0.632526 Ba\n0.708918 0.263350 0.367474 Ba\n0.708917 0.236649 0.867473 Ba\n0.291082 0.763350 0.132526 Ba\n0.841395 0.761540 0.638797 W\n0.841395 0.738459 0.138797 W\n0.158603 0.261540 0.861202 W\n0.158604 0.238459 0.361202 W\n0.579976 0.934541 0.570551 N\n0.795320 0.748422 0.441990 N\n0.204679 0.248423 0.058009 N\n0.579977 0.565458 0.070551 N\n0.795320 0.751577 0.941990 N\n0.872897 0.435969 0.703935 N\n0.420022 0.434541 0.929448 N\n0.420022 0.065459 0.429448 N\n0.204679 0.251577 0.558009 N\n0.127102 0.564030 0.296064 N\n0.872897 0.064030 0.203935 N\n0.127101 0.935969 0.796064 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"W",
"N"
],
"chemical_system": "Ba-N-W",
"density": 7.102998486112358,
"density_atomic": 0.058888733542873266,
"volume": 339.623537419755,
"volume_molar": 10.22630373875446,
"formula_full": "Ba4 W4 N12",
"formula_reduced": "BaWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.769717144,
"spacegroup": 14
}
]
}