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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3668",
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"results": [
{
"id": "jvasp-41002",
"created_at": "2022-09-04T14:37:32.987944Z",
"updated_at": "2022-09-04T14:37:32.987968Z",
"structure_string": "Li1 Mg2 Rh1\n1.0\n-0.000000 3.177473 3.177473\n3.177473 -0.000000 3.177473\n3.177473 3.177473 -0.000000\nLi Mg Rh\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 4,
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"elements": [
"Li",
"Mg",
"Rh"
],
"chemical_system": "Li-Mg-Rh",
"density": 4.100941310601863,
"density_atomic": 0.062342525120718584,
"volume": 64.16166159863585,
"volume_molar": 9.659763938561792,
"formula_full": "Li1 Mg2 Rh1",
"formula_reduced": "LiMg2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3674152749999999,
"spacegroup": 225
},
{
"id": "jvasp-110219",
"created_at": "2022-09-04T14:38:20.065719Z",
"updated_at": "2022-09-04T14:38:20.065745Z",
"structure_string": "Li2 Mg1 Sb1\n1.0\n4.243657 0.000000 2.450076\n1.414552 4.000958 2.450076\n-0.000000 0.000000 4.900153\nLi Mg Sb\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 3.19235580101346,
"density_atomic": 0.04807796581705013,
"volume": 83.1981955147832,
"volume_molar": 12.525781109200627,
"formula_full": "Li2 Mg1 Sb1",
"formula_reduced": "Li2MgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5851625208333335,
"spacegroup": 216
},
{
"id": "jvasp-93160",
"created_at": "2022-09-04T14:35:47.315839Z",
"updated_at": "2022-09-04T14:35:47.315865Z",
"structure_string": "Li1 Mg6 Sb1\n1.0\n6.372989 0.023311 0.000000\n-3.166308 5.530825 0.000000\n0.000000 0.000000 5.073898\nLi Mg Sb\n1 6 1\ndirect\n0.166690 0.333310 0.250000 Li\n0.163104 0.821549 0.250000 Mg\n0.678451 0.336896 0.250000 Mg\n0.664122 0.835879 0.250000 Mg\n0.332910 0.663809 0.750000 Mg\n0.836192 0.167090 0.750000 Mg\n0.831604 0.668396 0.750000 Mg\n0.326924 0.173076 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 2.5436491035442677,
"density_atomic": 0.04463820246423185,
"volume": 179.2186862006892,
"volume_molar": 13.491001939035252,
"formula_full": "Li1 Mg6 Sb1",
"formula_reduced": "LiMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-78883",
"created_at": "2022-09-04T14:36:43.878936Z",
"updated_at": "2022-09-04T14:36:43.878952Z",
"structure_string": "Li1 Mg1 Sb1\n1.0\n4.056828 -0.000000 2.342211\n1.352276 3.824814 2.342211\n-0.000000 -0.000000 4.684421\nLi Mg Sb\n1 1 1\ndirect\n0.500001 0.499999 0.499999 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 3.495463121465234,
"density_atomic": 0.0412732264345067,
"volume": 72.68634558435767,
"volume_molar": 14.590913481300213,
"formula_full": "Li1 Mg1 Sb1",
"formula_reduced": "LiMgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4699533611111114,
"spacegroup": 216
},
{
"id": "jvasp-105933",
"created_at": "2022-09-04T14:35:48.365503Z",
"updated_at": "2022-09-04T14:35:48.365529Z",
"structure_string": "Li1 Mg1 Sb1\n1.0\n4.067381 0.000000 2.348304\n1.355793 3.834764 2.348304\n0.000000 -0.000000 4.696608\nLi Mg Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 3.468324696559007,
"density_atomic": 0.04095278524622689,
"volume": 73.25509075787218,
"volume_molar": 14.705082264349379,
"formula_full": "Li1 Mg1 Sb1",
"formula_reduced": "LiMgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4064066944444448,
"spacegroup": 216
},
{
"id": "jvasp-94840",
"created_at": "2022-09-04T14:36:01.945392Z",
"updated_at": "2022-09-04T14:36:01.945420Z",
"structure_string": "Li1 Mg4 Si2\n1.0\n-3.185666 -3.185666 -0.000000\n-3.185666 3.185666 0.000000\n-0.000000 -0.000000 -6.693215\nLi Mg Si\n1 4 2\ndirect\n0.500001 0.500001 0.000000 Li\n0.500001 0.000000 0.735738 Mg\n0.000000 0.500001 0.264263 Mg\n0.500001 0.000000 0.264263 Mg\n0.000000 0.500001 0.735738 Mg\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.500000 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.9597652624145916,
"density_atomic": 0.05152675441975566,
"volume": 135.85175466274194,
"volume_molar": 11.68740555817169,
"formula_full": "Li1 Mg4 Si2",
"formula_reduced": "Li(Mg2Si)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7037287809523809,
"spacegroup": 123
},
{
"id": "jvasp-79622",
"created_at": "2022-09-04T14:36:50.221661Z",
"updated_at": "2022-09-04T14:36:50.221693Z",
"structure_string": "Li1 Mg2 Si1\n1.0\n-3.307946 -3.307946 -0.000000\n-3.307946 -0.000000 -3.307946\n0.000000 -3.307946 -3.307946\nLi Mg Si\n1 2 1\ndirect\n0.500001 0.500001 0.500001 Li\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.9184024392451788,
"density_atomic": 0.05525285982772711,
"volume": 72.39444279394044,
"volume_molar": 10.899238118671924,
"formula_full": "Li1 Mg2 Si1",
"formula_reduced": "LiMg2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6431214333333334,
"spacegroup": 225
},
{
"id": "jvasp-93170",
"created_at": "2022-09-04T14:36:07.307451Z",
"updated_at": "2022-09-04T14:36:07.307478Z",
"structure_string": "Li1 Mg6 Si1\n1.0\n6.187113 0.027893 0.000000\n-3.069400 5.372144 0.000000\n0.000000 0.000000 4.961162\nLi Mg Si\n1 6 1\ndirect\n0.169226 0.330773 0.250000 Li\n0.169273 0.843336 0.250000 Mg\n0.656663 0.330726 0.250000 Mg\n0.663989 0.836010 0.250000 Mg\n0.333828 0.657444 0.750000 Mg\n0.842555 0.166171 0.750000 Mg\n0.834132 0.665866 0.750000 Mg\n0.330329 0.169670 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.816548082578697,
"density_atomic": 0.04838978197356458,
"volume": 165.32415881456984,
"volume_molar": 12.44506694262418,
"formula_full": "Li1 Mg6 Si1",
"formula_reduced": "LiMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-35673",
"created_at": "2022-09-04T14:37:32.322030Z",
"updated_at": "2022-09-04T14:37:32.322062Z",
"structure_string": "Li2 Mg1 Si1\n1.0\n3.184596 3.184596 -0.000000\n3.184596 -0.000000 -3.184596\n0.000000 3.184596 -3.184596\nLi Mg Si\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Li\n0.750001 0.750001 0.750001 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.7036854710848752,
"density_atomic": 0.0619251346859443,
"volume": 64.59412676752588,
"volume_molar": 9.724873091583117,
"formula_full": "Li2 Mg1 Si1",
"formula_reduced": "Li2MgSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9093055416666668,
"spacegroup": 216
},
{
"id": "jvasp-93166",
"created_at": "2022-09-04T14:35:59.694137Z",
"updated_at": "2022-09-04T14:35:59.694172Z",
"structure_string": "Li1 Mg6 Si1\n1.0\n6.211454 0.006425 0.000000\n-3.100162 5.369638 0.000000\n0.000000 0.000000 4.968942\nLi Mg Si\n1 6 1\ndirect\n0.166104 0.333052 0.250000 Li\n0.669486 0.332618 0.250000 Mg\n0.669486 0.836867 0.250000 Mg\n0.326812 0.162498 0.750000 Mg\n0.326812 0.664316 0.750000 Mg\n0.836294 0.168148 0.750000 Mg\n0.836674 0.668338 0.750000 Mg\n0.168335 0.834167 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.811013665707993,
"density_atomic": 0.04824235442771949,
"volume": 165.82938571097793,
"volume_molar": 12.48309878619802,
"formula_full": "Li1 Mg6 Si1",
"formula_reduced": "LiMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00051375,
"spacegroup": 38
},
{
"id": "jvasp-76280",
"created_at": "2022-09-04T14:35:58.714083Z",
"updated_at": "2022-09-04T14:35:58.714120Z",
"structure_string": "Li24 Mg6 Si8\n1.0\n8.704611 0.000000 -3.077544\n-4.352305 7.538413 -3.077544\n-0.000000 -0.000000 9.232634\nLi Mg Si\n24 6 8\ndirect\n0.112769 0.082827 0.269708 Li\n0.887230 0.470058 0.156939 Li\n0.029942 0.917172 0.686879 Li\n0.343061 0.813120 0.730292 Li\n0.612769 0.769708 0.582827 Li\n0.769707 0.582827 0.612770 Li\n0.387230 0.656938 0.970058 Li\n0.186879 0.417173 0.529942 Li\n0.313120 0.843061 0.230292 Li\n0.082827 0.269708 0.112769 Li\n0.269708 0.112769 0.082827 Li\n0.970057 0.387230 0.656939 Li\n0.582827 0.612769 0.769708 Li\n0.230292 0.313120 0.843061 Li\n0.656938 0.970057 0.387231 Li\n0.529942 0.186880 0.417173 Li\n0.843061 0.230292 0.313121 Li\n0.686880 0.029942 0.917173 Li\n0.813120 0.730292 0.343062 Li\n0.730292 0.343061 0.813120 Li\n0.470058 0.156938 0.887230 Li\n0.156938 0.887230 0.470058 Li\n0.917172 0.686879 0.029943 Li\n0.417172 0.529942 0.186880 Li\n0.749999 0.875000 0.125000 Mg\n0.625000 0.375000 0.250000 Mg\n0.875000 0.125000 0.750000 Mg\n0.375000 0.250000 0.625000 Mg\n0.250000 0.625000 0.375000 Mg\n0.124999 0.750000 0.875000 Mg\n0.093026 0.500000 0.000000 Si\n0.406974 0.406974 0.406974 Si\n0.593026 0.500000 0.000000 Si\n-0.000000 0.593026 0.500000 Si\n0.500000 0.000000 0.593026 Si\n-0.000000 0.093026 0.500000 Si\n0.500000 -0.000000 0.093026 Si\n0.906973 0.906974 0.906974 Si\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.472135271543493,
"density_atomic": 0.06272326863817376,
"volume": 605.8357739486964,
"volume_molar": 9.601127126743659,
"formula_full": "Li24 Mg6 Si8",
"formula_reduced": "Li12Mg3Si4",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 1.240815005263158,
"spacegroup": 220
},
{
"id": "jvasp-39859",
"created_at": "2022-09-04T14:37:51.820918Z",
"updated_at": "2022-09-04T14:37:51.820938Z",
"structure_string": "Li2 Mg1 Sn1\n1.0\n-0.000000 3.327497 3.327497\n3.327497 0.000000 3.327497\n3.327497 3.327497 -0.000000\nLi Mg Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250001 0.250001 0.250001 Mg\n0.750001 0.750001 0.750001 Sn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Sn"
],
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"density": 3.535743271685726,
"density_atomic": 0.05428464197702361,
"volume": 73.6856660433172,
"volume_molar": 11.09363632268021,
"formula_full": "Li2 Mg1 Sn1",
"formula_reduced": "Li2MgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1481526875,
"spacegroup": 225
}
]
}