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"results": [
{
"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",
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"density": 6.792523227419652,
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"volume": 114.10855171159096,
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"formula_full": "Sm2 Mn2 Si2",
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{
"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",
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"formula_full": "Sm1 Mn1 O3",
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{
"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,
"nelements": 3,
"elements": [
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"Mn",
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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",
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"spacegroup": 63
},
{
"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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"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sm",
"density": 7.820327442149928,
"density_atomic": 0.05806811840954657,
"volume": 86.10576917157324,
"volume_molar": 10.370821243985654,
"formula_full": "Sm1 Mn2 Ge2",
"formula_reduced": "Sm(MnGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"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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"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-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,
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"elements": [
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"Mn",
"B"
],
"chemical_system": "B-Mn-Sm",
"density": 6.875067374854616,
"density_atomic": 0.09994918199091679,
"volume": 240.1220252325935,
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"formula_full": "Sm4 Mn4 B16",
"formula_reduced": "SmMnB4",
"formula_anonymous": "ABC4",
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"spacegroup": 55
},
{
"id": "jvasp-39056",
"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",
"nsites": 13,
"nelements": 3,
"elements": [
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"Mn",
"Al"
],
"chemical_system": "Al-Mn-Sm",
"density": 5.022540969098095,
"density_atomic": 0.06710369665834344,
"volume": 193.73001261300297,
"volume_molar": 8.974380041477534,
"formula_full": "Sm1 Mn4 Al8",
"formula_reduced": "Sm(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.998126941578249,
"spacegroup": 139
},
{
"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",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mn-Sm",
"density": 7.356017097767697,
"density_atomic": 0.05622158101397822,
"volume": 142.29411296724263,
"volume_molar": 10.711439720100955,
"formula_full": "Sm2 Mn6",
"formula_reduced": "SmMn3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6598701497844814,
"spacegroup": 194
},
{
"id": "jvasp-103643",
"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Sm",
"density": 7.0703496217699655,
"density_atomic": 0.07088588552936777,
"volume": 141.07180753010465,
"volume_molar": 8.495542822139182,
"formula_full": "Sm2 Mn4 Si2 C2",
"formula_reduced": "SmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.987776391551724,
"spacegroup": 63
},
{
"id": "jvasp-107289",
"created_at": "2022-09-04T14:36:53.561221Z",
"updated_at": "2022-09-04T14:36:53.561247Z",
"structure_string": "Sm1 Mn2 Ni3\n1.0\n5.104165 0.000000 0.000000\n-2.552082 4.420337 0.000000\n0.000000 0.000000 3.915031\nSm Mn Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666668 0.333334 -0.000000 Mn\n0.333334 0.666667 -0.000000 Mn\n0.500001 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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],
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"density": 8.202292155667601,
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"formula_full": "Sm1 Mn2 Ni3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-40582",
"created_at": "2022-09-04T14:37:48.560564Z",
"updated_at": "2022-09-04T14:37:48.560574Z",
"structure_string": "Sm1 Mg1 Zn2\n1.0\n0.000000 3.446646 3.446646\n3.446646 0.000000 3.446646\n3.446646 3.446646 -0.000000\nSm Mg Zn\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"elements": [
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],
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"density": 6.19464051904652,
"density_atomic": 0.04884723166420313,
"volume": 81.88795687538078,
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"formula_full": "Sm1 Mg1 Zn2",
"formula_reduced": "SmMgZn2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-16693",
"created_at": "2022-09-04T14:38:32.576984Z",
"updated_at": "2022-09-04T14:38:32.576998Z",
"structure_string": "Sm3 Mg3 Tl3\n1.0\n3.816989 -6.611220 -0.000000\n3.816989 6.611220 0.000000\n-0.000000 0.000000 4.685360\nSm Mg Tl\n3 3 3\ndirect\n0.573543 0.573543 0.000000 Sm\n0.000000 0.426457 0.000000 Sm\n0.426457 0.000000 0.000000 Sm\n0.756311 0.000000 0.500000 Mg\n0.243689 0.243689 0.500000 Mg\n0.000000 0.756311 0.500000 Mg\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666667 0.500000 Tl\n",
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],
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"density_atomic": 0.03805984633640039,
"volume": 236.46968830224657,
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"formula_full": "Sm3 Mg3 Tl3",
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"formula_anonymous": "ABC",
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}
]
}