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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3801",
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"results": [
{
"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,
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"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Yb",
"density": 7.205803046935743,
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"volume": 121.3144028249415,
"volume_molar": 14.611448200542789,
"formula_full": "Yb1 Mn2 Sb2",
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"spacegroup": 164
},
{
"id": "jvasp-59603",
"created_at": "2022-09-04T14:37:13.118835Z",
"updated_at": "2022-09-04T14:37:13.118859Z",
"structure_string": "Yb4 Mn2 Se8\n1.0\n6.965018 -0.000000 4.021255\n2.321673 6.566682 4.021255\n-0.000000 -0.000000 8.042510\nYb Mn Se\n4 2 8\ndirect\n0.500000 0.500000 0.500001 Yb\n0.500000 0.000000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 0.000001 Yb\n0.875000 0.875000 0.875001 Mn\n0.125000 0.125000 0.125000 Mn\n0.244962 0.244962 0.765116 Se\n0.755038 0.755038 0.755039 Se\n0.755038 0.755038 0.234886 Se\n0.244962 0.765115 0.244963 Se\n0.244962 0.244962 0.244962 Se\n0.234884 0.755038 0.755039 Se\n0.755038 0.234885 0.755039 Se\n0.765116 0.244962 0.244962 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"chemical_system": "Mn-Se-Yb",
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"volume": 367.84074899182804,
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"formula_full": "Yb4 Mn2 Se8",
"formula_reduced": "Yb2MnSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1789817297208542,
"spacegroup": 227
},
{
"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,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Yb",
"density": 7.058702975650738,
"density_atomic": 0.06268080409237879,
"volume": 79.7692383242406,
"volume_molar": 9.607631630131268,
"formula_full": "Yb1 Mn2 Si2",
"formula_reduced": "Yb(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.885020476551724,
"spacegroup": 139
},
{
"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",
"formula_reduced": "Yb(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.885022476551724,
"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": [
"Yb",
"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-56751",
"created_at": "2022-09-04T14:38:27.797045Z",
"updated_at": "2022-09-04T14:38:27.797064Z",
"structure_string": "Yb4 Mn2 Sn5\n1.0\n4.401534 0.000000 -1.194115\n-0.570998 7.371637 -2.104708\n-0.045524 -0.127397 8.541330\nYb Mn Sn\n4 2 5\ndirect\n0.919188 0.133153 0.838376 Yb\n0.851788 0.557576 0.703576 Yb\n0.080812 0.866847 0.161623 Yb\n0.148211 0.442424 0.296424 Yb\n0.274857 0.894598 0.549714 Mn\n0.725143 0.105402 0.450285 Mn\n0.428120 0.838767 0.856238 Sn\n0.300399 0.256251 0.600798 Sn\n0.499999 0.500000 -0.000000 Sn\n0.571880 0.161233 0.143761 Sn\n0.699601 0.743749 0.399201 Sn\n",
"nsites": 11,
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"elements": [
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"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Yb",
"density": 8.412666685086663,
"density_atomic": 0.03993196095718359,
"volume": 275.4685654379602,
"volume_molar": 15.081004327478794,
"formula_full": "Yb4 Mn2 Sn5",
"formula_reduced": "Yb4Mn2Sn5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 0.7761723438871477,
"spacegroup": 12
},
{
"id": "jvasp-57705",
"created_at": "2022-09-04T14:38:16.573740Z",
"updated_at": "2022-09-04T14:38:16.573752Z",
"structure_string": "Yb1 Mo6 S8\n1.0\n6.517037 0.007037 0.078318\n0.077468 6.516581 0.078318\n0.007114 0.007037 6.517503\nYb Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Yb\n0.224846 0.418866 0.560252 Mo\n0.581134 0.439749 0.775154 Mo\n0.439748 0.775155 0.581135 Mo\n0.560252 0.224846 0.418865 Mo\n0.418866 0.560252 0.224846 Mo\n0.775154 0.581135 0.439748 Mo\n0.761096 0.761096 0.761096 S\n0.873819 0.250620 0.625206 S\n0.250619 0.625206 0.873819 S\n0.625206 0.873819 0.250619 S\n0.126181 0.749381 0.374794 S\n0.749381 0.374795 0.126181 S\n0.238904 0.238905 0.238904 S\n0.374794 0.126181 0.749381 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Yb",
"Mo",
"S"
],
"chemical_system": "Mo-S-Yb",
"density": 6.0306925359850965,
"density_atomic": 0.0541947065427789,
"volume": 276.77979929939585,
"volume_molar": 11.112046072703407,
"formula_full": "Yb1 Mo6 S8",
"formula_reduced": "Yb(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.099626406666666,
"spacegroup": 148
},
{
"id": "jvasp-39781",
"created_at": "2022-09-04T14:37:47.926913Z",
"updated_at": "2022-09-04T14:37:47.926934Z",
"structure_string": "Na1 Yb1 Au2\n1.0\n-0.000000 3.505366 3.505366\n3.505366 -0.000000 3.505366\n3.505366 3.505366 -0.000000\nYb Na Au\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250001 0.250001 0.250001 Na\n0.000000 0.000000 0.000000 Au\n0.500001 0.500001 0.500001 Au\n",
"nsites": 4,
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"elements": [
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"Na",
"Au"
],
"chemical_system": "Au-Na-Yb",
"density": 11.37217931805586,
"density_atomic": 0.04643333591307074,
"volume": 86.14500598209273,
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"formula_full": "Na1 Yb1 Au2",
"formula_reduced": "NaYbAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-53045",
"created_at": "2022-09-04T14:37:31.700173Z",
"updated_at": "2022-09-04T14:37:31.700197Z",
"structure_string": "Na2 Yb2 F8\n1.0\n5.631938 -0.004130 0.075010\n-0.004433 5.636262 -0.025752\n-2.747601 -2.836605 4.819519\nYb Na F\n2 2 8\ndirect\n0.014477 0.004839 -0.000479 Yb\n0.735397 0.245172 0.500473 Yb\n0.484925 0.494508 -0.001137 Na\n0.265193 0.755486 0.501147 Na\n0.370383 0.884467 0.241212 F\n0.878995 0.370133 0.259030 F\n0.100948 0.610703 0.723652 F\n0.649065 0.639296 0.776366 F\n0.871112 0.879976 0.241188 F\n0.650398 0.137120 0.776003 F\n0.099582 0.112863 0.723954 F\n0.379526 0.365432 0.258594 F\n",
"nsites": 12,
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"elements": [
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"Na",
"F"
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"density": 5.87633451295839,
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"volume": 153.73714752841428,
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"formula_full": "Na2 Yb2 F8",
"formula_reduced": "NaYbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-92248",
"created_at": "2022-09-04T14:36:17.064249Z",
"updated_at": "2022-09-04T14:36:17.064274Z",
"structure_string": "Na2 Yb2 O4\n1.0\n-2.341578 2.341578 4.812701\n2.341578 -2.341578 4.812701\n2.341578 2.341578 -4.812701\nYb Na O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Yb\n0.500000 0.500000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.233500 0.233500 0.000000 O\n0.516501 0.016500 0.500000 O\n0.766500 0.766500 0.000000 O\n0.983500 0.483500 0.500000 O\n",
"nsites": 8,
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"volume": 105.5519182760912,
"volume_molar": 7.945606366832971,
"formula_full": "Na2 Yb2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 141
},
{
"id": "jvasp-52206",
"created_at": "2022-09-04T14:38:11.516983Z",
"updated_at": "2022-09-04T14:38:11.517010Z",
"structure_string": "Na1 Yb1 O2\n1.0\n2.918824 1.685452 0.049768\n-2.918824 1.685452 -0.049768\n-2.039589 0.000000 5.398999\nYb Na O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.500000 0.500000 Na\n0.258250 0.741749 0.774844 O\n0.741749 0.258250 0.225156 O\n",
"nsites": 4,
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"density": 7.082431478828107,
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"formula_full": "Na1 Yb1 O2",
"formula_reduced": "NaYbO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-15398",
"created_at": "2022-09-04T14:36:02.082579Z",
"updated_at": "2022-09-04T14:36:02.082610Z",
"structure_string": "Na1 Yb1 S2\n1.0\n3.754064 -0.071502 5.729358\n1.656559 3.369557 5.729358\n-0.117303 -0.071502 6.848706\nYb Na S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500001 0.500000 Na\n0.255102 0.255103 0.255103 S\n0.744897 0.744899 0.744898 S\n",
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"formula_full": "Na1 Yb1 S2",
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}
]
}