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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3664",
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"results": [
{
"id": "jvasp-78547",
"created_at": "2022-09-04T14:37:08.849909Z",
"updated_at": "2022-09-04T14:37:08.849935Z",
"structure_string": "Li1 Mg1\n1.0\n3.421555 0.000000 0.000000\n0.000000 3.421555 -0.000000\n0.000000 0.000000 3.420335\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.499999 Mg\n",
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"formula_full": "Li1 Mg1",
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"spacegroup": 221
},
{
"id": "jvasp-38522",
"created_at": "2022-09-04T14:38:02.998483Z",
"updated_at": "2022-09-04T14:38:02.998498Z",
"structure_string": "Li3 Mg1\n1.0\n4.305827 -0.000000 0.000000\n-0.000000 4.305827 -0.000000\n0.000000 -0.000000 4.305827\nLi Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 79.83066189353363,
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"formula_full": "Li3 Mg1",
"formula_reduced": "Li3Mg",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-39228",
"created_at": "2022-09-04T14:37:52.880817Z",
"updated_at": "2022-09-04T14:37:52.880843Z",
"structure_string": "Li2 Mg4\n1.0\n3.148182 0.000000 0.000000\n1.574091 8.145276 0.000000\n0.000000 0.000000 5.043546\nLi Mg\n2 4\ndirect\n0.332601 0.334795 0.000000 Li\n0.111840 0.776318 0.499999 Li\n0.000424 -0.000848 0.000000 Mg\n0.667016 0.665969 0.000000 Mg\n0.444020 0.111959 0.499999 Mg\n0.777428 0.445144 0.499999 Mg\n",
"nsites": 6,
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"elements": [
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],
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"density": 1.4264920378553985,
"density_atomic": 0.046392697780165054,
"volume": 129.33069830151734,
"volume_molar": 12.98079449601384,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2714404761904762,
"spacegroup": 63
},
{
"id": "jvasp-38523",
"created_at": "2022-09-04T14:37:59.813526Z",
"updated_at": "2022-09-04T14:37:59.813540Z",
"structure_string": "Li3 Mg1\n1.0\n0.000000 3.419891 3.419891\n3.419891 -0.000000 3.419891\n3.419891 3.419891 0.000000\nLi Mg\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.249999 0.249999 0.249999 Li\n0.500000 0.500000 0.500000 Li\n0.749999 0.749999 0.749999 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 0.9367601245322416,
"density_atomic": 0.05000267089379366,
"volume": 79.9957267981955,
"volume_molar": 12.043638174430935,
"formula_full": "Li3 Mg1",
"formula_reduced": "Li3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5176539285714287,
"spacegroup": 225
},
{
"id": "jvasp-79165",
"created_at": "2022-09-04T14:38:04.289964Z",
"updated_at": "2022-09-04T14:38:04.289987Z",
"structure_string": "Li1 Mg3\n1.0\n6.336969 0.000581 0.000000\n-1.583990 2.743552 0.000000\n0.000000 0.000000 5.026475\nLi Mg\n1 3\ndirect\n0.166588 0.666588 0.250000 Li\n0.665288 0.665288 0.250000 Mg\n0.328819 0.328819 0.750001 Mg\n0.839303 0.339303 0.750001 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.5173136199457342,
"density_atomic": 0.045769766577519896,
"volume": 87.39393488549327,
"volume_molar": 13.157464436267874,
"formula_full": "Li1 Mg3",
"formula_reduced": "LiMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1864567857142857,
"spacegroup": 25
},
{
"id": "jvasp-39247",
"created_at": "2022-09-04T14:37:57.804037Z",
"updated_at": "2022-09-04T14:37:57.804063Z",
"structure_string": "Li2 Mg4\n1.0\n-3.430257 -0.005489 0.003056\n1.706957 5.442680 -0.003652\n-0.002450 -2.321711 -6.712345\nLi Mg\n2 4\ndirect\n0.298864 0.597702 0.620135 Li\n0.645621 0.291201 0.768756 Li\n0.980016 0.960034 0.925270 Mg\n0.304639 0.609329 0.097118 Mg\n0.639763 0.279543 0.291752 Mg\n0.964427 0.928857 0.463633 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4727066951370342,
"density_atomic": 0.047895701352133245,
"volume": 125.27220252789479,
"volume_molar": 12.573447282303503,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2692704761904762,
"spacegroup": 12
},
{
"id": "jvasp-90586",
"created_at": "2022-09-04T14:36:01.854629Z",
"updated_at": "2022-09-04T14:36:01.854648Z",
"structure_string": "Li4 Mg4\n1.0\n10.801436 0.000000 0.232785\n0.000000 3.450157 0.000000\n-2.273150 0.000000 4.290397\nLi Mg\n4 4\ndirect\n0.867096 0.500000 0.616984 Li\n0.632905 0.000000 0.383018 Li\n0.367096 0.000000 0.616984 Li\n0.132904 0.500000 0.383018 Li\n0.616380 0.500000 0.866468 Mg\n0.883621 0.000000 0.133535 Mg\n0.116380 0.000000 0.866467 Mg\n0.383621 0.500000 0.133534 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2833787521915667,
"density_atomic": 0.04946993213058722,
"volume": 161.71439206510667,
"volume_molar": 12.173335399173743,
"formula_full": "Li4 Mg4",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.3530728571428572,
"spacegroup": 74
},
{
"id": "jvasp-93294",
"created_at": "2022-09-04T14:36:05.781668Z",
"updated_at": "2022-09-04T14:36:05.781694Z",
"structure_string": "Li5 Mg1\n1.0\n-4.557744 2.631413 0.000000\n0.000007 -5.262817 0.000180\n-1.519349 2.631238 4.982988\nLi Mg\n5 1\ndirect\n-0.000266 -0.000000 0.000000 Li\n0.666933 0.333601 0.000002 Li\n0.333334 0.666399 -0.000002 Li\n0.499712 0.833617 0.500853 Li\n0.166948 0.166384 0.499148 Li\n0.833332 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 0.8198072954785812,
"density_atomic": 0.05019821994054955,
"volume": 119.52615067039994,
"volume_molar": 11.99672173063528,
"formula_full": "Li5 Mg1",
"formula_reduced": "Li5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.626297619047619,
"spacegroup": 155
},
{
"id": "jvasp-90587",
"created_at": "2022-09-04T14:36:07.282468Z",
"updated_at": "2022-09-04T14:36:07.282499Z",
"structure_string": "Li6 Mg2\n1.0\n3.362428 0.000000 0.000000\n0.000000 9.698100 0.000000\n0.000000 0.000000 4.880480\nLi Mg\n6 2\ndirect\n0.500000 0.000000 0.916823 Li\n0.000000 0.241741 0.916523 Li\n0.500000 0.258259 0.416524 Li\n0.000000 0.500000 0.416823 Li\n0.500000 0.741740 0.416524 Li\n0.000000 0.758259 0.916523 Li\n0.000000 0.000000 0.416795 Mg\n0.500000 0.500000 0.916795 Mg\n",
"nsites": 8,
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"elements": [
"Li",
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],
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"density_atomic": 0.05026755920845907,
"volume": 159.14836777381768,
"volume_molar": 11.980173405727225,
"formula_full": "Li6 Mg2",
"formula_reduced": "Li3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5173414285714286,
"spacegroup": 71
},
{
"id": "jvasp-94346",
"created_at": "2022-09-04T14:36:07.851661Z",
"updated_at": "2022-09-04T14:36:07.851687Z",
"structure_string": "Li2 Mg4\n1.0\n5.456598 0.000000 0.000000\n-2.728300 4.725552 0.000000\n0.000000 0.000000 5.019573\nLi Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n0.661355 -0.000000 0.000000 Mg\n0.338645 0.338645 0.000000 Mg\n-0.000000 0.661354 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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],
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"volume": 129.4318863304701,
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"formula_full": "Li2 Mg4",
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"spacegroup": 189
},
{
"id": "jvasp-90590",
"created_at": "2022-09-04T14:35:43.345123Z",
"updated_at": "2022-09-04T14:35:43.345153Z",
"structure_string": "Li2 Mg6\n1.0\n6.317607 0.000000 -0.000000\n-3.158803 5.471209 0.000000\n-0.000000 0.000000 5.040153\nLi Mg\n2 6\ndirect\n0.333334 0.666667 0.250000 Li\n0.666667 0.333333 0.749999 Li\n0.831293 0.168707 0.250000 Mg\n0.831294 0.662586 0.250000 Mg\n0.337415 0.168707 0.250000 Mg\n0.662586 0.831293 0.749999 Mg\n0.168708 0.831293 0.749999 Mg\n0.168708 0.337415 0.749999 Mg\n",
"nsites": 8,
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"volume": 174.21262775247587,
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"formula_full": "Li2 Mg6",
"formula_reduced": "LiMg3",
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"spacegroup": 194
},
{
"id": "jvasp-123937",
"created_at": "2022-09-04T14:38:55.577088Z",
"updated_at": "2022-09-04T14:38:55.577113Z",
"structure_string": "Li1 Mg1\n1.0\n1.549856 -2.684432 -0.000000\n1.549856 2.684432 -0.000000\n0.000000 0.000000 5.018821\nLi Mg\n1 1\ndirect\n0.666668 0.333335 0.750000 Li\n0.333335 0.666668 0.250000 Mg\n",
"nsites": 2,
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"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
}
]
}