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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1116",
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"results": [
{
"id": "jvasp-120445",
"created_at": "2022-09-04T14:38:52.171957Z",
"updated_at": "2022-09-04T14:38:52.171984Z",
"structure_string": "Sm2 Mn3 Cu9 P7\n1.0\n3.791625 -0.000000 0.000000\n-0.000000 8.345582 4.708644\n-0.000000 0.160901 9.451504\nSm Mn Cu P\n2 3 9 7\ndirect\n0.000000 0.670528 0.663729 Sm\n0.500001 0.329162 0.337344 Sm\n0.500001 0.790170 0.118869 Mn\n0.500001 0.136392 0.081831 Mn\n0.500001 0.065021 0.816706 Mn\n0.500001 0.421904 0.613775 Cu\n0.500001 0.958727 0.425490 Cu\n0.500001 0.612296 0.961277 Cu\n0.000000 0.888845 0.266030 Cu\n0.000000 0.286136 0.834774 Cu\n0.000000 0.048561 0.572366 Cu\n0.000000 0.381961 0.050058 Cu\n0.000000 0.570336 0.384385 Cu\n0.000000 0.832622 0.882288 Cu\n0.500001 0.416385 0.877688 P\n0.000000 0.585533 0.130141 P\n0.000000 0.124299 0.284922 P\n0.000000 0.278179 0.595391 P\n0.500001 0.883978 0.712243 P\n0.500001 0.711114 0.407991 P\n0.000000 0.007846 -0.017304 P\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "Cu-Mn-P-Sm",
"density": 7.03148161592839,
"density_atomic": 0.07089701057291406,
"volume": 296.2043086203549,
"volume_molar": 8.494209715382183,
"formula_full": "Sm2 Mn3 Cu9 P7",
"formula_reduced": "Sm2Mn3Cu9P7",
"formula_anonymous": "A2B3C7D9",
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"spacegroup": 6
},
{
"id": "jvasp-46366",
"created_at": "2022-09-04T14:38:08.355417Z",
"updated_at": "2022-09-04T14:38:08.355436Z",
"structure_string": "Sm4 Mn4 O14\n1.0\n0.000000 5.052541 5.052541\n5.052541 0.000000 5.052541\n5.052541 5.052541 0.000000\nSm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.924811 0.325189 0.924811 O\n0.625000 0.625000 0.625000 O\n0.325189 0.325189 0.924811 O\n0.924811 0.924811 0.325189 O\n0.325189 0.924811 0.325189 O\n0.075189 0.674811 0.075189 O\n0.075189 0.075189 0.674811 O\n0.375000 0.375000 0.375000 O\n0.674811 0.674811 0.075189 O\n0.075189 0.674811 0.674811 O\n0.924811 0.325189 0.325189 O\n0.674811 0.075189 0.075189 O\n0.674811 0.075189 0.674811 O\n0.325189 0.924811 0.924811 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sm",
"density": 6.727941770287597,
"density_atomic": 0.08528313291990215,
"volume": 257.96425678524713,
"volume_molar": 7.061350297316107,
"formula_full": "Sm4 Mn4 O14",
"formula_reduced": "Sm2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8748469757053288,
"spacegroup": 227
},
{
"id": "jvasp-122039",
"created_at": "2022-09-04T14:38:55.016504Z",
"updated_at": "2022-09-04T14:38:55.016531Z",
"structure_string": "Sm2 Mn2 Fe15\n1.0\n6.233756 0.027801 0.800117\n0.707495 6.193540 0.800117\n0.031019 0.027801 6.284817\nSm Mn Fe\n2 2 15\ndirect\n0.654465 0.654464 0.654465 Sm\n0.345537 0.345536 0.345536 Sm\n0.909197 0.909195 0.909196 Mn\n0.090805 0.090805 0.090805 Mn\n0.663927 0.663926 0.152894 Fe\n0.336075 0.847106 0.336075 Fe\n0.847108 0.336074 0.336075 Fe\n0.336075 0.336074 0.847107 Fe\n0.291958 0.708043 0.000000 Fe\n0.708043 -0.000000 0.291958 Fe\n0.291958 -0.000000 0.708043 Fe\n0.152894 0.663926 0.663926 Fe\n0.000001 0.708043 0.291958 Fe\n0.708043 0.291957 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.291957 0.708043 Fe\n0.663927 0.152893 0.663926 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Sm",
"density": 8.556425304509009,
"density_atomic": 0.07843103652073972,
"volume": 242.25103789079444,
"volume_molar": 7.678262365444513,
"formula_full": "Sm2 Mn2 Fe15",
"formula_reduced": "Sm2Mn2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 4.1831581438294,
"spacegroup": 166
},
{
"id": "jvasp-36064",
"created_at": "2022-09-04T14:37:17.401569Z",
"updated_at": "2022-09-04T14:37:17.401590Z",
"structure_string": "Sm2 Mn12 P7\n1.0\n0.000000 9.332538 0.000552\n3.645639 0.000000 0.000000\n0.000000 -4.665617 -8.082270\nSm Mn P\n2 12 7\ndirect\n0.666664 0.500000 0.333332 Sm\n0.333332 0.000000 0.666667 Sm\n0.895228 0.500000 0.121921 Mn\n0.226690 0.500000 0.104770 Mn\n0.878082 0.500000 0.773309 Mn\n0.392951 0.500000 0.437165 Mn\n0.044212 0.500000 0.607048 Mn\n0.562837 0.500000 0.955788 Mn\n0.155159 0.000000 0.274699 Mn\n0.119539 0.000000 0.844838 Mn\n0.952133 0.000000 0.375542 Mn\n0.423408 0.000000 0.047868 Mn\n0.624459 0.000000 0.576594 Mn\n0.725305 0.000000 0.880463 Mn\n0.408273 0.000000 0.291825 P\n0.279756 0.500000 0.875619 P\n0.124381 0.500000 0.404137 P\n0.595863 0.500000 0.720245 P\n0.000001 0.000000 -0.000000 P\n0.883550 0.000000 0.591725 P\n0.708180 0.000000 0.116454 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"Mn",
"P"
],
"chemical_system": "Mn-P-Sm",
"density": 7.106523116557522,
"density_atomic": 0.07637080008990174,
"volume": 274.97420447709516,
"volume_molar": 7.885396974905187,
"formula_full": "Sm2 Mn12 P7",
"formula_reduced": "Sm2Mn12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.481935387931034,
"spacegroup": 174
},
{
"id": "jvasp-37272",
"created_at": "2022-09-04T14:38:00.860197Z",
"updated_at": "2022-09-04T14:38:00.860224Z",
"structure_string": "Sm2 Mg1 Tl1\n1.0\n0.000000 3.821542 3.821542\n3.821542 -0.000000 3.821542\n3.821542 3.821542 -0.000000\nSm Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Tl"
],
"chemical_system": "Mg-Sm-Tl",
"density": 7.875786537772565,
"density_atomic": 0.03583555085371341,
"volume": 111.6209993904839,
"volume_molar": 16.804934252534206,
"formula_full": "Sm2 Mg1 Tl1",
"formula_reduced": "Sm2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.40991221875,
"spacegroup": 225
},
{
"id": "jvasp-100303",
"created_at": "2022-09-04T14:36:37.316770Z",
"updated_at": "2022-09-04T14:36:37.316781Z",
"structure_string": "Sm4 Mg2 Si4\n1.0\n7.291902 0.000000 -0.000000\n0.000000 7.291902 0.000000\n0.000000 0.000000 4.316648\nSm Mg Si\n4 2 4\ndirect\n0.679384 0.179384 0.500000 Sm\n0.320616 0.820616 0.500000 Sm\n0.179384 0.320616 0.500000 Sm\n0.820616 0.679384 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.117100 0.617100 0.000000 Si\n0.882900 0.382900 0.000000 Si\n0.617100 0.882900 0.000000 Si\n0.382900 0.117100 0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sm",
"density": 5.515681062614238,
"density_atomic": 0.04356841068349107,
"volume": 229.52409424907475,
"volume_molar": 13.822264033794347,
"formula_full": "Sm4 Mg2 Si4",
"formula_reduced": "Sm2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6657107999999994,
"spacegroup": 127
},
{
"id": "jvasp-112712",
"created_at": "2022-09-04T14:38:43.554887Z",
"updated_at": "2022-09-04T14:38:43.554911Z",
"structure_string": "Sm8 Mg4 Se16\n1.0\n4.075679 -0.000000 0.000000\n0.000000 13.346747 0.000000\n-0.000000 -0.000000 14.275740\nSm Mg Se\n8 4 16\ndirect\n0.250000 0.118185 0.075007 Sm\n0.750000 0.881815 0.924993 Sm\n0.750000 0.381815 0.575007 Sm\n0.250000 0.618185 0.424993 Sm\n0.250000 0.138077 0.704029 Sm\n0.750000 0.861923 0.295971 Sm\n0.750000 0.361923 0.204029 Sm\n0.250000 0.638077 0.795971 Sm\n0.750000 0.608840 0.041135 Mg\n0.250000 0.391161 0.958865 Mg\n0.250000 0.891161 0.541135 Mg\n0.750000 0.108840 0.458865 Mg\n0.250000 0.736197 0.987568 Se\n0.750000 0.263804 0.012432 Se\n0.250000 0.724092 0.249659 Se\n0.750000 0.275908 0.750341 Se\n0.750000 0.775909 0.749659 Se\n0.250000 0.224092 0.250341 Se\n0.250000 0.529083 0.617471 Se\n0.250000 0.996299 0.383463 Se\n0.750000 0.970917 0.117471 Se\n0.250000 0.029083 0.882529 Se\n0.750000 0.503701 0.883463 Se\n0.250000 0.496299 0.116537 Se\n0.250000 0.236197 0.512432 Se\n0.750000 0.003701 0.616537 Se\n0.750000 0.470917 0.382529 Se\n0.750000 0.763804 0.487568 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Sm",
"density": 5.481527700676302,
"density_atomic": 0.036056536061890875,
"volume": 776.5582348769757,
"volume_molar": 16.701939281308174,
"formula_full": "Sm8 Mg4 Se16",
"formula_reduced": "Sm2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.020997180952381,
"spacegroup": 62
},
{
"id": "jvasp-39030",
"created_at": "2022-09-04T14:37:55.533491Z",
"updated_at": "2022-09-04T14:37:55.533508Z",
"structure_string": "Sm2 Mg1 Ru1\n1.0\n-0.000000 3.600852 3.600852\n3.600852 -0.000000 3.600852\n3.600852 3.600852 0.000000\nSm Mg Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ru"
],
"chemical_system": "Mg-Ru-Sm",
"density": 7.577216999129994,
"density_atomic": 0.04283651988743801,
"volume": 93.37826720076336,
"volume_molar": 14.058426725197204,
"formula_full": "Sm2 Mg1 Ru1",
"formula_reduced": "Sm2MgRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.637866825,
"spacegroup": 225
},
{
"id": "jvasp-108034",
"created_at": "2022-09-04T14:38:28.004432Z",
"updated_at": "2022-09-04T14:38:28.004465Z",
"structure_string": "Sm4 Mg2 Pd4\n1.0\n7.683550 -0.000000 0.000000\n0.000000 7.683550 0.000000\n-0.000000 0.000000 3.927372\nSm Mg Pd\n4 2 4\ndirect\n0.669751 0.169751 0.500000 Sm\n0.330249 0.830249 0.500000 Sm\n0.169751 0.330249 0.500000 Sm\n0.830249 0.669751 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.132040 0.632040 -0.000000 Pd\n0.867960 0.367960 -0.000000 Pd\n0.632040 0.867960 -0.000000 Pd\n0.367960 0.132040 -0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mg",
"Pd"
],
"chemical_system": "Mg-Pd-Sm",
"density": 7.7041813091593445,
"density_atomic": 0.04312946956982886,
"volume": 231.86002748792166,
"volume_molar": 13.962937221497336,
"formula_full": "Sm4 Mg2 Pd4",
"formula_reduced": "Sm2MgPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.02316164,
"spacegroup": 127
},
{
"id": "jvasp-106648",
"created_at": "2022-09-04T14:37:02.085552Z",
"updated_at": "2022-09-04T14:37:02.085572Z",
"structure_string": "Sm4 Mg2 Ni4\n1.0\n7.402045 -0.000000 0.000000\n0.000000 7.402045 0.000000\n-0.000000 -0.000000 3.792368\nSm Mg Ni\n4 2 4\ndirect\n0.673183 0.173182 0.500000 Sm\n0.326818 0.826818 0.500000 Sm\n0.173182 0.326818 0.500000 Sm\n0.826818 0.673183 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.121463 0.621463 -0.000000 Ni\n0.878538 0.378537 -0.000000 Ni\n0.621463 0.878538 -0.000000 Ni\n0.378537 0.121463 -0.000000 Ni\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Mg-Ni-Sm",
"density": 7.071179790860814,
"density_atomic": 0.04812670011802033,
"volume": 207.7848673496658,
"volume_molar": 12.513097189776156,
"formula_full": "Sm4 Mg2 Ni4",
"formula_reduced": "Sm2MgNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8290683200000001,
"spacegroup": 127
},
{
"id": "jvasp-37537",
"created_at": "2022-09-04T14:38:09.651165Z",
"updated_at": "2022-09-04T14:38:09.651199Z",
"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n0.000000 5.403398 -0.007046\n5.754971 0.000000 0.000000\n0.000000 -5.361674 -7.758351\nSm Mg Ir O\n4 2 2 12\ndirect\n0.268923 0.430788 0.249166 Sm\n0.731079 0.930787 0.250834 Sm\n0.268923 0.069212 0.749166 Sm\n0.731079 0.569212 0.750834 Sm\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.000000 Ir\n0.500001 0.000000 0.500000 Ir\n0.145111 0.465814 0.751240 O\n0.854891 0.965814 0.748760 O\n0.365306 0.300121 0.553940 O\n0.246885 0.801976 0.553428 O\n0.753117 0.198024 0.446573 O\n0.365306 0.199879 0.053940 O\n0.145111 0.034186 0.251240 O\n0.854890 0.534186 0.248760 O\n0.634696 0.800121 0.946061 O\n0.246884 0.698023 0.053428 O\n0.634695 0.699878 0.446061 O\n0.753117 0.301976 0.946573 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sm",
"density": 8.434080017822785,
"density_atomic": 0.08282458676101247,
"volume": 241.47418999758273,
"volume_molar": 7.270957810362137,
"formula_full": "Sm4 Mg2 Ir2 O12",
"formula_reduced": "Sm2MgIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.27609389,
"spacegroup": 14
},
{
"id": "jvasp-37271",
"created_at": "2022-09-04T14:38:06.043247Z",
"updated_at": "2022-09-04T14:38:06.043273Z",
"structure_string": "Sm2 Mg1 Ir1\n1.0\n-0.000000 3.605695 3.605695\n3.605695 0.000000 3.605695\n3.605695 3.605695 -0.000000\nSm Mg Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.750001 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Sm",
"density": 9.161064083439982,
"density_atomic": 0.04266414362400675,
"volume": 93.75554412275216,
"volume_molar": 14.115227093440106,
"formula_full": "Sm2 Mg1 Ir1",
"formula_reduced": "Sm2MgIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.601036975,
"spacegroup": 225
}
]
}