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{
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"results": [
{
"id": "jvasp-37461",
"created_at": "2022-09-04T14:38:31.708245Z",
"updated_at": "2022-09-04T14:38:31.708279Z",
"structure_string": "Sm2 Mn6\n1.0\n2.994208 -5.186122 0.000000\n2.994208 5.186122 0.000000\n0.000000 0.000000 4.581759\nSm Mn\n2 6\ndirect\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n0.853697 0.707394 0.250000 Mn\n0.292607 0.146304 0.250000 Mn\n0.853696 0.146304 0.250000 Mn\n0.146304 0.292607 0.750000 Mn\n0.707394 0.853697 0.750000 Mn\n0.146304 0.853696 0.750000 Mn\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:37:53.660975Z",
"updated_at": "2022-09-04T14:37:53.661002Z",
"structure_string": "Sm1 Mn4 Al8\n1.0\n-4.418329 4.418329 2.480966\n4.418329 -4.418329 2.480966\n4.418329 4.418329 -2.480966\nSm Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500000 Mn\n1.000000 1.000000 0.500000 Mn\n0.500001 0.000001 0.000000 Mn\n0.000001 0.500001 0.000000 Mn\n0.500000 0.279593 0.779592 Al\n0.500001 0.720408 0.220407 Al\n0.720408 0.500001 0.220407 Al\n0.279593 0.500000 0.779592 Al\n-0.000000 0.658048 0.658048 Al\n-0.000000 0.341952 0.341952 Al\n0.341952 -0.000000 0.341952 Al\n0.658048 -0.000000 0.658048 Al\n",
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"elements": [
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"formula_full": "Sm1 Mn4 Al8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 139
},
{
"id": "jvasp-23849",
"created_at": "2022-09-04T14:37:41.843847Z",
"updated_at": "2022-09-04T14:37:41.843878Z",
"structure_string": "Sm4 Mn4 B16\n1.0\n3.497428 0.000000 0.000000\n0.000000 5.957526 -0.000000\n0.000000 -0.000000 11.524372\nSm Mn B\n4 4 16\ndirect\n0.000000 0.376494 0.651045 Sm\n0.000000 0.623507 0.348955 Sm\n0.000000 0.876494 0.848955 Sm\n0.000000 0.123506 0.151045 Sm\n0.000000 0.376426 0.918165 Mn\n0.000000 0.623574 0.081834 Mn\n0.000000 0.876427 0.581834 Mn\n0.000000 0.123574 0.418166 Mn\n0.500000 0.641638 0.532759 B\n0.500000 0.358363 0.467241 B\n0.500000 0.222764 0.818014 B\n0.500000 0.777237 0.181986 B\n0.500000 0.722764 0.681986 B\n0.500000 0.277236 0.318014 B\n0.500000 0.111374 0.545569 B\n0.500000 0.475418 0.188841 B\n0.500000 0.611375 0.954431 B\n0.500000 0.388626 0.045569 B\n0.500000 0.858363 0.032759 B\n0.500000 0.524582 0.811159 B\n0.500000 0.975419 0.311159 B\n0.500000 0.024582 0.688841 B\n0.500000 0.888626 0.454431 B\n0.500000 0.141637 0.967241 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Mn",
"B"
],
"chemical_system": "B-Mn-Sm",
"density": 6.875067374854616,
"density_atomic": 0.09994918199091679,
"volume": 240.1220252325935,
"volume_molar": 6.025202648028957,
"formula_full": "Sm4 Mn4 B16",
"formula_reduced": "SmMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.281686074952108,
"spacegroup": 55
},
{
"id": "jvasp-104695",
"created_at": "2022-09-04T14:36:55.535697Z",
"updated_at": "2022-09-04T14:36:55.535728Z",
"structure_string": "Sm1 Mn1 Co3 Cu1\n1.0\n5.002144 0.000000 0.000000\n-2.501071 4.331984 0.000000\n0.000000 -0.000000 3.880781\nSm Mn Co Cu\n1 1 3 1\ndirect\n0.666666 0.333333 -0.000000 Sm\n0.333333 0.666666 -0.000000 Mn\n0.666034 0.833017 0.500000 Co\n0.166982 0.833017 0.500000 Co\n0.166983 0.333965 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 6,
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"elements": [
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"Mn",
"Co",
"Cu"
],
"chemical_system": "Co-Cu-Mn-Sm",
"density": 8.799837074589542,
"density_atomic": 0.07134919560711557,
"volume": 84.09344981321173,
"volume_molar": 8.440376529485945,
"formula_full": "Sm1 Mn1 Co3 Cu1",
"formula_reduced": "SmMnCo3Cu",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.802111544396552,
"spacegroup": 187
},
{
"id": "jvasp-17785",
"created_at": "2022-09-04T14:38:16.954589Z",
"updated_at": "2022-09-04T14:38:16.954598Z",
"structure_string": "Sm1 Mn2 Ge2\n1.0\n3.748340 0.000000 -1.311067\n-0.458576 3.720182 -1.311067\n0.044066 0.049831 6.139765\nSm Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.749999 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.622090 0.622090 0.244181 Ge\n0.377910 0.377909 0.755819 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ge-Mn-Sm",
"density": 7.820327442149928,
"density_atomic": 0.05806811840954657,
"volume": 86.10576917157324,
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"formula_full": "Sm1 Mn2 Ge2",
"formula_reduced": "Sm(MnGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-90624",
"created_at": "2022-09-04T14:36:16.024076Z",
"updated_at": "2022-09-04T14:36:16.024111Z",
"structure_string": "Sm2 Mn2 Ge4\n1.0\n0.000000 -0.000000 -4.471078\n-4.357449 0.000000 0.000000\n2.178724 8.077618 -0.000000\nSm Mn Ge\n2 2 4\ndirect\n0.750000 0.104992 0.209984 Sm\n0.250000 0.895010 0.790017 Sm\n0.750000 0.309107 0.618212 Mn\n0.250000 0.690894 0.381788 Mn\n0.750000 0.454982 0.909961 Ge\n0.250000 0.545019 0.090039 Ge\n0.750000 0.745392 0.490781 Ge\n0.250000 0.254609 0.509219 Ge\n",
"nsites": 8,
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"elements": [
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"Mn",
"Ge"
],
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"density": 7.398368138720652,
"density_atomic": 0.0508349167627675,
"volume": 157.3721471274122,
"volume_molar": 11.846465271308825,
"formula_full": "Sm2 Mn2 Ge4",
"formula_reduced": "SmMnGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7290120040948274,
"spacegroup": 63
},
{
"id": "jvasp-92755",
"created_at": "2022-09-04T14:36:15.849101Z",
"updated_at": "2022-09-04T14:36:15.849119Z",
"structure_string": "Sm1 Mn1 O3\n1.0\n3.826549 -0.000000 -0.000000\n0.000000 3.826549 -0.000000\n0.000000 0.000000 3.826549\nSm Mn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 7.506820169648231,
"density_atomic": 0.08923765872891512,
"volume": 56.03015667621815,
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"formula_full": "Sm1 Mn1 O3",
"formula_reduced": "SmMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.228055323275862,
"spacegroup": 221
},
{
"id": "jvasp-35064",
"created_at": "2022-09-04T14:37:41.620868Z",
"updated_at": "2022-09-04T14:37:41.620898Z",
"structure_string": "Sm2 Mn2 Si2\n1.0\n3.994332 0.000000 0.000000\n0.000000 3.994332 0.000000\n0.000000 0.000000 7.152039\nSm Mn Si\n2 2 2\ndirect\n0.500000 0.000000 0.329931 Sm\n0.000000 0.500000 0.670069 Sm\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.806680 Si\n0.000000 0.500000 0.193320 Si\n",
"nsites": 6,
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"elements": [
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"Mn",
"Si"
],
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"density": 6.792523227419652,
"density_atomic": 0.05258151041269004,
"volume": 114.10855171159096,
"volume_molar": 11.452962672115662,
"formula_full": "Sm2 Mn2 Si2",
"formula_reduced": "SmMnSi",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-17240",
"created_at": "2022-09-04T14:38:01.876131Z",
"updated_at": "2022-09-04T14:38:01.876157Z",
"structure_string": "Sm1 Mn2 Si2\n1.0\n3.718918 0.000000 -1.314493\n-0.464622 3.689780 -1.314493\n-0.002139 -0.002426 5.911911\nSm Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.249999 0.500000 Mn\n0.250000 0.749999 0.500000 Mn\n0.623378 0.623378 0.246757 Si\n0.376622 0.376621 0.753244 Si\n",
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"elements": [
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],
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"density": 6.478542655783865,
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"volume": 81.09946353832429,
"volume_molar": 9.767847699765532,
"formula_full": "Sm1 Mn2 Si2",
"formula_reduced": "Sm(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.357540111551724,
"spacegroup": 139
},
{
"id": "jvasp-91798",
"created_at": "2022-09-04T14:36:00.485433Z",
"updated_at": "2022-09-04T14:36:00.485447Z",
"structure_string": "Sm2 Mn2 Si4\n1.0\n0.000000 -0.000000 -3.980032\n-4.030737 0.000000 0.000000\n2.015369 8.748316 -0.000000\nSm Mn Si\n2 2 4\ndirect\n0.750000 0.102079 0.204159 Sm\n0.250000 0.897921 0.795842 Sm\n0.750000 0.749739 0.499477 Mn\n0.250000 0.250261 0.500523 Mn\n0.750000 0.322150 0.644300 Si\n0.250000 0.677850 0.355701 Si\n0.750000 0.463332 0.926662 Si\n0.250000 0.536669 0.073338 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.187338639222119,
"density_atomic": 0.057002578225746114,
"volume": 140.34452912494183,
"volume_molar": 10.564681366078991,
"formula_full": "Sm2 Mn2 Si4",
"formula_reduced": "SmMnSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.859608329094827,
"spacegroup": 63
},
{
"id": "jvasp-37273",
"created_at": "2022-09-04T14:37:57.310147Z",
"updated_at": "2022-09-04T14:37:57.310167Z",
"structure_string": "Sm1 Mo6 S8\n1.0\n4.564402 -2.635258 -3.829224\n-0.000000 5.270518 -3.829224\n4.564402 2.635259 3.829224\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.438201 0.579675 0.225620 Mo\n0.774380 0.438201 0.420324 Mo\n0.420323 0.225619 0.438202 Mo\n0.579675 0.774380 0.561798 Mo\n0.225619 0.561798 0.579675 Mo\n0.561799 0.420325 0.774381 Mo\n0.628513 0.246860 0.125965 S\n0.759127 0.759127 0.240872 S\n0.125964 0.371486 0.246860 S\n0.246860 0.874036 0.371486 S\n0.753140 0.125964 0.628514 S\n0.874034 0.628514 0.753140 S\n0.240873 0.240872 0.759127 S\n0.371486 0.753140 0.874036 S\n",
"nsites": 15,
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],
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"density": 5.903659616012946,
"density_atomic": 0.054277779412699616,
"volume": 276.35618410156223,
"volume_molar": 11.095038937040545,
"formula_full": "Sm1 Mo6 S8",
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"formula_anonymous": "AB6C8",
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"spacegroup": 148
},
{
"id": "jvasp-112483",
"created_at": "2022-09-04T14:38:41.132720Z",
"updated_at": "2022-09-04T14:38:41.132747Z",
"structure_string": "Sm1 Mo6 Se8\n1.0\n6.794246 0.013002 0.126374\n0.124287 6.793121 0.126373\n0.013217 0.013002 6.795408\nSm Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.763753 0.576242 0.439883 Mo\n0.439884 0.763751 0.576242 Mo\n0.576243 0.439883 0.763751 Mo\n0.236249 0.423757 0.560117 Mo\n0.560117 0.236248 0.423757 Mo\n0.423758 0.560117 0.236248 Mo\n0.760796 0.760794 0.760794 Se\n0.239206 0.239205 0.239205 Se\n0.242798 0.626797 0.879814 Se\n0.879815 0.242796 0.626797 Se\n0.626798 0.879814 0.242796 Se\n0.757204 0.373202 0.120185 Se\n0.120186 0.757203 0.373202 Se\n0.373203 0.120185 0.757203 Se\n",
"nsites": 15,
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],
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"density": 7.1889659786382705,
"density_atomic": 0.0478311881929158,
"volume": 313.6029140547595,
"volume_molar": 12.590405941226294,
"formula_full": "Sm1 Mo6 Se8",
"formula_reduced": "Sm(Mo3Se4)2",
"formula_anonymous": "AB6C8",
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"spacegroup": 148
}
]
}