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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=231",
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"results": [
{
"id": "jvasp-17220",
"created_at": "2022-09-04T14:37:44.173179Z",
"updated_at": "2022-09-04T14:37:44.173199Z",
"structure_string": "Yb1 Mn2 Si2\n1.0\n3.708963 0.000000 -1.296548\n-0.453236 3.681167 -1.296548\n-0.030298 -0.034257 5.866614\nYb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.249999 0.750000 0.499999 Mn\n0.749999 0.250000 0.499999 Mn\n0.623433 0.623434 0.246867 Si\n0.376565 0.376566 0.753131 Si\n",
"nsites": 5,
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"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Yb",
"density": 7.058702975650738,
"density_atomic": 0.06268080409237879,
"volume": 79.7692383242406,
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"formula_full": "Yb1 Mn2 Si2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-92289",
"created_at": "2022-09-04T14:36:20.642659Z",
"updated_at": "2022-09-04T14:36:20.642686Z",
"structure_string": "Yb1 Mn2 Si2\n1.0\n3.928988 -0.000000 0.000000\n-0.000000 3.928988 0.000000\n-1.964494 -1.964494 5.167224\nYb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750001 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.623434 0.623434 0.246866 Si\n0.376568 0.376568 0.753133 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Yb",
"density": 7.05897525168373,
"density_atomic": 0.06268322188510103,
"volume": 79.76616149637377,
"volume_molar": 9.607261048321101,
"formula_full": "Yb1 Mn2 Si2",
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"spacegroup": 139
},
{
"id": "jvasp-13769",
"created_at": "2022-09-04T14:37:00.991127Z",
"updated_at": "2022-09-04T14:37:00.991161Z",
"structure_string": "Yb4 Mn4 Si4\n1.0\n4.253048 -0.000000 0.000000\n-0.000000 6.964789 0.000000\n0.000000 0.000000 7.201749\nYb Mn Si\n4 4 4\ndirect\n0.750000 0.175934 0.503739 Yb\n0.250000 0.824066 0.496261 Yb\n0.750000 0.324066 0.003739 Yb\n0.250000 0.675934 -0.003739 Yb\n0.250000 0.063222 0.133332 Mn\n0.750000 0.936778 0.866668 Mn\n0.250000 0.436778 0.633332 Mn\n0.750000 0.563222 0.366668 Mn\n0.750000 0.887787 0.197175 Si\n0.250000 0.112213 0.802825 Si\n0.750000 0.612213 0.697175 Si\n0.250000 0.387787 0.302825 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Yb",
"density": 7.972795291938124,
"density_atomic": 0.05625161775602502,
"volume": 213.3271980202685,
"volume_molar": 10.70572012012042,
"formula_full": "Yb4 Mn4 Si4",
"formula_reduced": "YbMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8372821804597697,
"spacegroup": 62
},
{
"id": "jvasp-94800",
"created_at": "2022-09-04T14:35:55.627058Z",
"updated_at": "2022-09-04T14:35:55.627090Z",
"structure_string": "Yb2 Mn2 Sb4\n1.0\n4.301422 0.000000 -0.787037\n-0.144005 4.299012 -0.787037\n-0.283369 -0.293020 10.599168\nYb Mn Sb\n2 2 4\ndirect\n0.879120 0.879120 0.758239 Yb\n0.120880 0.120880 0.241761 Yb\n0.750000 0.250000 0.500000 Mn\n0.250001 0.750000 0.500000 Mn\n0.673978 0.673977 0.347954 Sb\n0.326023 0.326023 0.652045 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.000001 0.500000 -0.000000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Yb",
"density": 8.070956240803218,
"density_atomic": 0.041234049712095065,
"volume": 194.0144142003443,
"volume_molar": 14.604776397292703,
"formula_full": "Yb2 Mn2 Sb4",
"formula_reduced": "YbMnSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5631950353448274,
"spacegroup": 139
},
{
"id": "jvasp-15457",
"created_at": "2022-09-04T14:36:42.549301Z",
"updated_at": "2022-09-04T14:36:42.549317Z",
"structure_string": "Yb1 Mn2 Sb2\n1.0\n2.148814 -3.721856 -0.000000\n2.148814 3.721856 -0.000000\n-0.000000 0.000000 7.584448\nYb Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666666 0.333332 0.609445 Mn\n0.333332 0.666666 0.390555 Mn\n0.666666 0.333332 0.256739 Sb\n0.333332 0.666666 0.743261 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Yb",
"density": 7.205803046935743,
"density_atomic": 0.041215221635431655,
"volume": 121.3144028249415,
"volume_molar": 14.611448200542789,
"formula_full": "Yb1 Mn2 Sb2",
"formula_reduced": "Yb(MnSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.2965894765517234,
"spacegroup": 164
},
{
"id": "jvasp-91270",
"created_at": "2022-09-04T14:36:18.900652Z",
"updated_at": "2022-09-04T14:36:18.900679Z",
"structure_string": "Yb6 Mn6 O18\n1.0\n5.946328 -0.000000 -0.000000\n-2.973164 5.149672 -0.000000\n-0.000000 -0.000000 11.537877\nYb Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.275383 Yb\n0.333333 0.666667 0.232911 Yb\n0.666667 0.333333 0.732911 Yb\n0.333333 0.666667 0.732911 Yb\n0.666667 0.333333 0.232911 Yb\n0.000000 0.000000 0.775384 Yb\n0.333330 0.000000 0.000303 Mn\n0.333330 0.333330 0.500303 Mn\n0.000000 0.666670 0.500303 Mn\n0.000000 0.333330 0.000303 Mn\n0.666671 0.666670 0.000303 Mn\n0.666670 0.000000 0.500303 Mn\n0.698236 0.000000 0.654415 O\n0.698236 0.698236 0.154415 O\n0.000000 0.301764 0.154415 O\n0.666667 0.333333 0.015917 O\n0.301764 0.000000 0.154415 O\n0.636204 0.000000 0.346563 O\n0.636204 0.636204 0.846564 O\n0.000000 0.363796 0.846564 O\n0.000000 0.636204 0.346563 O\n0.363796 0.363796 0.346563 O\n0.363796 0.000000 0.846564 O\n0.000000 0.000000 0.479116 O\n0.000000 0.000000 0.979116 O\n0.333333 0.666667 0.015917 O\n0.666667 0.333333 0.515917 O\n0.333333 0.666667 0.515917 O\n0.301764 0.301764 0.654415 O\n0.000000 0.698236 0.654415 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Yb",
"density": 7.7824746506245965,
"density_atomic": 0.08491157966039692,
"volume": 353.30870206377887,
"volume_molar": 7.092249118536596,
"formula_full": "Yb6 Mn6 O18",
"formula_reduced": "YbMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.779739688275862,
"spacegroup": 185
},
{
"id": "jvasp-17793",
"created_at": "2022-09-04T14:38:14.562675Z",
"updated_at": "2022-09-04T14:38:14.562703Z",
"structure_string": "Yb1 Mn2 Ge2\n1.0\n3.721688 0.000000 -1.304066\n-0.456940 3.693530 -1.304066\n0.047917 0.054211 6.099467\nYb Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750000 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.621678 0.621678 0.243355 Ge\n0.378323 0.378322 0.756645 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Yb",
"density": 8.427547590179861,
"density_atomic": 0.05926242561813289,
"volume": 84.37049189006059,
"volume_molar": 10.161819563047667,
"formula_full": "Yb1 Mn2 Ge2",
"formula_reduced": "Yb(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.898375416551724,
"spacegroup": 139
},
{
"id": "jvasp-14015",
"created_at": "2022-09-04T14:36:21.527171Z",
"updated_at": "2022-09-04T14:36:21.527201Z",
"structure_string": "Yb3 Mn3 Ge3\n1.0\n3.375385 -5.846338 -0.000000\n3.375385 5.846338 0.000000\n-0.000000 -0.000000 4.347913\nYb Mn Ge\n3 3 3\ndirect\n0.434758 0.434758 0.000000 Yb\n0.000000 0.565243 0.000000 Yb\n0.565243 0.000000 0.000000 Yb\n0.000000 0.229073 0.500000 Mn\n0.229073 0.000000 0.500000 Mn\n0.770928 0.770928 0.500000 Mn\n0.333334 0.666668 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.666668 0.333334 0.500000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Yb",
"density": 8.727047124807257,
"density_atomic": 0.05244745659520005,
"volume": 171.60031361413382,
"volume_molar": 11.482236033827315,
"formula_full": "Yb3 Mn3 Ge3",
"formula_reduced": "YbMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1454379637931034,
"spacegroup": 189
},
{
"id": "jvasp-17951",
"created_at": "2022-09-04T14:37:32.921376Z",
"updated_at": "2022-09-04T14:37:32.921406Z",
"structure_string": "Yb3 Mn3 Ge3\n1.0\n3.375385 -5.846338 -0.000000\n3.375385 5.846338 0.000000\n-0.000000 -0.000000 4.347913\nYb Mn Ge\n3 3 3\ndirect\n0.434758 0.434758 0.000000 Yb\n0.000000 0.565243 0.000000 Yb\n0.565243 0.000000 0.000000 Yb\n0.000000 0.229073 0.500000 Mn\n0.229073 0.000000 0.500000 Mn\n0.770928 0.770928 0.500000 Mn\n0.333334 0.666668 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.666668 0.333334 0.500000 Ge\n",
"nsites": 9,
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"elements": [
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"Mn",
"Ge"
],
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"density": 8.727047124807257,
"density_atomic": 0.05244745659520005,
"volume": 171.60031361413382,
"volume_molar": 11.482236033827315,
"formula_full": "Yb3 Mn3 Ge3",
"formula_reduced": "YbMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1454379637931034,
"spacegroup": 189
},
{
"id": "jvasp-14004",
"created_at": "2022-09-04T14:37:57.697641Z",
"updated_at": "2022-09-04T14:37:57.697667Z",
"structure_string": "Yb4 Mn4 Ge4\n1.0\n4.235676 0.000000 0.000000\n-0.000000 7.163769 0.000000\n0.000000 0.000000 7.410434\nYb Mn Ge\n4 4 4\ndirect\n0.250000 0.506141 0.182516 Yb\n0.750001 0.493860 0.817484 Yb\n0.250000 0.006140 0.317484 Yb\n0.750001 0.993860 0.682515 Yb\n0.750001 0.369126 0.440948 Mn\n0.250000 0.130874 0.940948 Mn\n0.750001 0.869126 0.059051 Mn\n0.250000 0.630874 0.559051 Mn\n0.250000 0.288351 0.612542 Ge\n0.750001 0.211649 0.112542 Ge\n0.250000 0.788351 0.887458 Ge\n0.750001 0.711649 0.387458 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Yb",
"density": 8.88006583978895,
"density_atomic": 0.05336706231033854,
"volume": 224.85779581079356,
"volume_molar": 11.284377477966142,
"formula_full": "Yb4 Mn4 Ge4",
"formula_reduced": "YbMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1245779637931037,
"spacegroup": 62
},
{
"id": "jvasp-100535",
"created_at": "2022-09-04T14:36:37.160475Z",
"updated_at": "2022-09-04T14:36:37.160507Z",
"structure_string": "Yb1 Mn1 Cu1 P2\n1.0\n3.900633 0.000000 -0.000000\n-1.950316 3.378047 0.000000\n-0.000000 0.000000 6.510526\nYb Mn Cu P\n1 1 1 2\ndirect\n0.333332 0.666668 0.990394 Yb\n0.000000 -0.000000 0.376871 Mn\n0.666666 0.333333 0.634891 Cu\n0.666666 0.333333 0.272856 P\n0.000000 -0.000000 0.724989 P\n",
"nsites": 5,
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"elements": [
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"Mn",
"Cu",
"P"
],
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"density": 6.842057649056686,
"density_atomic": 0.058284509814271954,
"volume": 85.78608649078258,
"volume_molar": 10.332317761940544,
"formula_full": "Yb1 Mn1 Cu1 P2",
"formula_reduced": "YbMnCuP2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.7750738782758615,
"spacegroup": 156
},
{
"id": "jvasp-14261",
"created_at": "2022-09-04T14:36:00.806303Z",
"updated_at": "2022-09-04T14:36:00.806332Z",
"structure_string": "Yb1 Mn2 As2\n1.0\n1.982139 -3.433166 0.000000\n1.982139 3.433166 -0.000000\n-0.000000 -0.000000 6.891302\nYb Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.383710 Mn\n0.333333 0.666667 0.616290 Mn\n0.666667 0.333333 0.733879 As\n0.333333 0.666667 0.266121 As\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.661879355680962,
"density_atomic": 0.05331013920231981,
"volume": 93.790788672006,
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"formula_full": "Yb1 Mn2 As2",
"formula_reduced": "Yb(MnAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.527109736551724,
"spacegroup": 164
}
]
}