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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3645",
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"results": [
{
"id": "jvasp-15110",
"created_at": "2022-09-04T14:37:00.875212Z",
"updated_at": "2022-09-04T14:37:00.875238Z",
"structure_string": "Ce1 Mn2 Si2\n1.0\n3.721915 0.000000 -1.325012\n-0.471707 3.691902 -1.325012\n-0.002325 -0.002641 5.883344\nCe Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249998 0.750000 0.500000 Mn\n0.749998 0.250000 0.500000 Mn\n0.622419 0.622421 0.244843 Si\n0.377577 0.377579 0.755157 Si\n",
"nsites": 5,
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"elements": [
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"Mn",
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],
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"density": 6.290729771314465,
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"volume": 80.81666041581389,
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"formula_full": "Ce1 Mn2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-93504",
"created_at": "2022-09-04T14:36:06.312692Z",
"updated_at": "2022-09-04T14:36:06.312719Z",
"structure_string": "Ce1 Mn1 Ni4\n1.0\n-3.479183 -3.479183 0.000000\n-3.479183 -0.000000 -3.479183\n0.000000 -3.479183 -3.479183\nCe Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.749999 0.749999 0.749999 Mn\n0.871286 0.376238 0.376238 Ni\n0.376238 0.871286 0.376238 Ni\n0.376238 0.376238 0.871286 Ni\n0.376238 0.376238 0.376238 Ni\n",
"nsites": 6,
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"elements": [
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"Mn",
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"chemical_system": "Ce-Mn-Ni",
"density": 8.473866706992872,
"density_atomic": 0.07123434525756095,
"volume": 84.22903275527963,
"volume_molar": 8.453984855515742,
"formula_full": "Ce1 Mn1 Ni4",
"formula_reduced": "CeMnNi4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-93332",
"created_at": "2022-09-04T14:35:58.265622Z",
"updated_at": "2022-09-04T14:35:58.265648Z",
"structure_string": "Ce1 Mn1 Ni4\n1.0\n-3.479136 -3.479136 0.000000\n-3.479136 0.000000 -3.479136\n0.000000 -3.479136 -3.479136\nCe Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750001 0.750001 0.750001 Mn\n0.871292 0.376237 0.376237 Ni\n0.376237 0.871292 0.376237 Ni\n0.376237 0.376237 0.871292 Ni\n0.376237 0.376237 0.376237 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ce-Mn-Ni",
"density": 8.474210134598644,
"density_atomic": 0.07123723223247884,
"volume": 84.22561927194653,
"volume_molar": 8.453642247563845,
"formula_full": "Ce1 Mn1 Ni4",
"formula_reduced": "CeMnNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.911312056896552,
"spacegroup": 216
},
{
"id": "jvasp-15665",
"created_at": "2022-09-04T14:37:06.528724Z",
"updated_at": "2022-09-04T14:37:06.528756Z",
"structure_string": "Ce1 Mn1 Ni4\n1.0\n4.261013 0.000000 2.460097\n1.420338 4.017321 2.460097\n0.000000 0.000000 4.920194\nCe Mn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Mn\n0.623762 0.623762 0.623762 Ni\n0.623762 0.128713 0.623762 Ni\n0.623762 0.623762 0.128714 Ni\n0.128713 0.623762 0.623762 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Ni"
],
"chemical_system": "Ce-Mn-Ni",
"density": 8.474455832880372,
"density_atomic": 0.07123929765984924,
"volume": 84.22317733463036,
"volume_molar": 8.453397152726428,
"formula_full": "Ce1 Mn1 Ni4",
"formula_reduced": "CeMnNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9114153902298847,
"spacegroup": 216
},
{
"id": "jvasp-98212",
"created_at": "2022-09-04T14:35:51.788859Z",
"updated_at": "2022-09-04T14:35:51.788890Z",
"structure_string": "Ce1 Mn2 Ge2\n1.0\n3.838539 -0.000000 -1.358457\n-0.480757 3.808314 -1.358457\n-0.088360 -0.100216 5.852757\nCe Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.749999 0.499999 Mn\n0.750000 0.249999 0.500000 Mn\n0.630530 0.630529 0.261060 Ge\n0.369469 0.369468 0.738939 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Ge"
],
"chemical_system": "Ce-Ge-Mn",
"density": 7.766474835230176,
"density_atomic": 0.059162796800195164,
"volume": 84.51256989905363,
"volume_molar": 10.1789318384288,
"formula_full": "Ce1 Mn2 Ge2",
"formula_reduced": "Ce(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.543330376551724,
"spacegroup": 139
},
{
"id": "jvasp-18075",
"created_at": "2022-09-04T14:38:11.316846Z",
"updated_at": "2022-09-04T14:38:11.316869Z",
"structure_string": "Ce2 Mn2 Ge2\n1.0\n4.189757 0.000000 -0.000000\n0.000000 4.189757 -0.000000\n-0.000000 -0.000000 6.613988\nCe Mn Ge\n2 2 2\ndirect\n0.500000 0.000000 0.304004 Ce\n0.000000 0.500000 0.695997 Ce\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.201465 Ge\n0.500000 0.000000 0.798535 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ce-Ge-Mn",
"density": 7.657318828416789,
"density_atomic": 0.05167853305611637,
"volume": 116.10236678902547,
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"formula_full": "Ce2 Mn2 Ge2",
"formula_reduced": "CeMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0019095637931037,
"spacegroup": 129
},
{
"id": "jvasp-103111",
"created_at": "2022-09-04T14:36:41.070242Z",
"updated_at": "2022-09-04T14:36:41.070277Z",
"structure_string": "Ce1 Mn1 Cr1 Si2\n1.0\n3.761351 -0.000000 1.368039\n-0.497568 3.728296 1.368039\n-0.009936 -0.011350 5.882159\nCe Mn Cr Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.750001 0.500000 Mn\n0.749999 0.250000 0.500000 Cr\n0.377534 0.377535 0.244931 Si\n0.622464 0.622466 0.755070 Si\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"Cr",
"Si"
],
"chemical_system": "Ce-Cr-Mn-Si",
"density": 6.095411427719139,
"density_atomic": 0.060529132327698514,
"volume": 82.60485170893435,
"volume_molar": 9.949160889002586,
"formula_full": "Ce1 Mn1 Cr1 Si2",
"formula_reduced": "CeMnCrSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.640351468275862,
"spacegroup": 119
},
{
"id": "jvasp-91729",
"created_at": "2022-09-04T14:36:02.924929Z",
"updated_at": "2022-09-04T14:36:02.924963Z",
"structure_string": "Ce2 Mn2 As2 O2\n1.0\n3.926835 -0.000000 -0.000000\n-0.000000 3.926835 0.000000\n-0.000000 0.000000 8.316243\nCe Mn As O\n2 2 2 2\ndirect\n0.750001 0.750001 0.848893 Ce\n0.250000 0.250000 0.151107 Ce\n0.750001 0.250000 0.500000 Mn\n0.250000 0.750001 0.500000 Mn\n0.750001 0.750001 0.341109 As\n0.250000 0.250000 0.658891 As\n0.750001 0.250000 0.000000 O\n0.250000 0.750001 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"As",
"O"
],
"chemical_system": "As-Ce-Mn-O",
"density": 7.406188353591217,
"density_atomic": 0.062384616498005474,
"volume": 128.2367424708906,
"volume_molar": 9.653246422044667,
"formula_full": "Ce2 Mn2 As2 O2",
"formula_reduced": "CeMnAsO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.322401997844828,
"spacegroup": 129
},
{
"id": "jvasp-62523",
"created_at": "2022-09-04T14:36:05.085286Z",
"updated_at": "2022-09-04T14:36:05.085320Z",
"structure_string": "Ce1 Mn4 Al8\n1.0\n-4.418868 4.418868 2.478117\n4.418868 -4.418868 2.478117\n4.418868 4.418868 -2.478117\nCe Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.656987 0.656987 Al\n-0.000000 0.343013 0.343013 Al\n0.343013 -0.000000 0.343013 Al\n0.656987 0.000000 0.656987 Al\n0.500001 0.719819 0.219818 Al\n0.500000 0.280182 0.780182 Al\n0.280182 0.500000 0.780182 Al\n0.719819 0.500001 0.219818 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Al"
],
"chemical_system": "Al-Ce-Mn",
"density": 4.939203586500655,
"density_atomic": 0.06716445528319667,
"volume": 193.55475965949455,
"volume_molar": 8.96626159567266,
"formula_full": "Ce1 Mn4 Al8",
"formula_reduced": "Ce(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.0607774511936343,
"spacegroup": 139
},
{
"id": "jvasp-104968",
"created_at": "2022-09-04T14:36:54.752806Z",
"updated_at": "2022-09-04T14:36:54.752831Z",
"structure_string": "Ce2 Mn2 Al2\n1.0\n4.208932 -0.407631 3.030115\n-3.316116 4.540929 0.000000\n0.000000 0.000000 6.060231\nCe Mn Al\n2 2 2\ndirect\n0.120545 0.060273 0.189727 Ce\n0.879453 0.939727 0.810274 Ce\n0.500000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500001 Mn\n-0.000000 0.500000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n",
"nsites": 6,
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"elements": [
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"Mn",
"Al"
],
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"density": 6.850971789648194,
"density_atomic": 0.05574446555643199,
"volume": 107.63400348552986,
"volume_molar": 10.803118659203191,
"formula_full": "Ce2 Mn2 Al2",
"formula_reduced": "CeMnAl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3112285137931035,
"spacegroup": 74
},
{
"id": "jvasp-17204",
"created_at": "2022-09-04T14:38:13.391895Z",
"updated_at": "2022-09-04T14:38:13.391920Z",
"structure_string": "Ce1 Mg1 Zn2\n1.0\n4.240285 0.000000 2.448129\n1.413428 3.997779 2.448129\n0.000000 0.000000 4.896259\nCe Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Zn\n0.749999 0.750000 0.750001 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Zn"
],
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"density": 5.906695874408157,
"density_atomic": 0.048192757724406,
"volume": 83.00002300914814,
"volume_molar": 12.495945541108222,
"formula_full": "Ce1 Mg1 Zn2",
"formula_reduced": "CeMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20894",
"created_at": "2022-09-04T14:38:29.028358Z",
"updated_at": "2022-09-04T14:38:29.028395Z",
"structure_string": "Ce4 Mg4 Si8\n1.0\n4.170242 -0.000000 -0.479741\n-0.055189 4.169877 -0.479741\n0.051418 0.052103 18.812190\nCe Mg Si\n4 4 8\ndirect\n0.703124 0.953125 0.906249 Ce\n0.453125 0.203125 0.406249 Ce\n0.296875 0.046875 0.093751 Ce\n0.546875 0.796875 0.593751 Ce\n0.624906 0.374905 0.749811 Mg\n0.375094 0.625095 0.250189 Mg\n0.125094 0.875094 0.750189 Mg\n0.874905 0.124906 0.249811 Mg\n0.076911 0.326911 0.653821 Si\n0.173089 0.423088 0.846179 Si\n0.826911 0.576911 0.153821 Si\n0.923088 0.673089 0.346179 Si\n0.014312 0.264312 0.528623 Si\n0.764311 0.514312 0.028623 Si\n0.985688 0.735688 0.471377 Si\n0.235688 0.485688 0.971377 Si\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.476084789806986,
"density_atomic": 0.048878676773823106,
"volume": 327.34110364805895,
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"formula_full": "Ce4 Mg4 Si8",
"formula_reduced": "CeMgSi2",
"formula_anonymous": "ABC2",
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"spacegroup": 141
}
]
}