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{
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{
"id": "jvasp-90917",
"created_at": "2022-09-04T14:36:04.487963Z",
"updated_at": "2022-09-04T14:36:04.487993Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-11.041477 0.002755 -6.377049\n-7.094587 0.214207 -0.461470\n-6.146301 2.898984 -2.106088\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.729978 -0.000040 0.000041 Mg\n0.270022 0.000039 -0.000039 Mg\n0.500000 -0.000000 0.000001 Tl\n",
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"density": 4.057802780477501,
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"spacegroup": 71
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{
"id": "jvasp-41309",
"created_at": "2022-09-04T14:37:42.079501Z",
"updated_at": "2022-09-04T14:37:42.079521Z",
"structure_string": "Na1 Mg1 Tl2\n1.0\n-0.000000 3.715703 3.715703\n3.715703 0.000000 3.715703\n3.715703 3.715703 0.000000\nNa Mg Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Na\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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"volume": 102.60132633366347,
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"formula_full": "Na1 Mg1 Tl2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-94056",
"created_at": "2022-09-04T14:35:54.364433Z",
"updated_at": "2022-09-04T14:35:54.364451Z",
"structure_string": "Na1 Mg6 V1\n1.0\n6.337131 0.000355 0.000000\n-3.168259 5.488294 0.000000\n0.000000 0.000000 5.109653\nNa Mg V\n1 6 1\ndirect\n0.416668 0.083331 0.750000 Na\n0.077322 0.913655 0.250000 Mg\n0.586343 0.422677 0.250000 Mg\n0.586353 0.913645 0.250000 Mg\n0.402768 0.576393 0.750000 Mg\n0.923605 0.097230 0.750000 Mg\n0.923584 0.576414 0.750000 Mg\n0.083352 0.416648 0.250000 V\n",
"nsites": 8,
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"elements": [
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"Mg",
"V"
],
"chemical_system": "Mg-Na-V",
"density": 2.0533583444715955,
"density_atomic": 0.04501471265037757,
"volume": 177.71967272422205,
"volume_molar": 13.378161062079972,
"formula_full": "Na1 Mg6 V1",
"formula_reduced": "NaMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-93072",
"created_at": "2022-09-04T14:36:15.061502Z",
"updated_at": "2022-09-04T14:36:15.061529Z",
"structure_string": "Na1 Mg6 W1\n1.0\n5.987414 -1.609164 0.000000\n-4.387286 7.598992 0.000000\n0.000000 0.000000 4.386116\nNa Mg W\n1 6 1\ndirect\n0.250041 0.375021 0.250000 Na\n0.750006 0.374991 0.250000 Mg\n0.750005 0.875014 0.250000 Mg\n0.249981 0.104087 0.750001 Mg\n0.249997 0.645906 0.750001 Mg\n0.708741 0.104367 0.750001 Mg\n0.791237 0.645624 0.750001 Mg\n0.249983 0.874993 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"W"
],
"chemical_system": "Mg-Na-W",
"density": 3.4734340274286115,
"density_atomic": 0.04745085311813868,
"volume": 168.59549353269477,
"volume_molar": 12.69132241944447,
"formula_full": "Na1 Mg6 W1",
"formula_reduced": "NaMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3366504124999999,
"spacegroup": 123
},
{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "Mg-Nb",
"density": 6.094693296232851,
"density_atomic": 0.052403615379718126,
"volume": 57.24795852847008,
"volume_molar": 11.491842149369644,
"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0997805809523804,
"spacegroup": 12
},
{
"id": "jvasp-102531",
"created_at": "2022-09-04T14:36:55.182379Z",
"updated_at": "2022-09-04T14:36:55.182402Z",
"structure_string": "Mg1 Nb3\n1.0\n4.192384 -0.000000 0.000000\n0.000000 4.192384 0.000000\n0.000000 0.000000 4.192384\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n-0.000000 0.500000 0.500000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Nb",
"density": 6.828780610024606,
"density_atomic": 0.05428462308902305,
"volume": 73.68569168179127,
"volume_molar": 11.093640182642703,
"formula_full": "Mg1 Nb3",
"formula_reduced": "MgNb3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-78471",
"created_at": "2022-09-04T14:37:11.030642Z",
"updated_at": "2022-09-04T14:37:11.030673Z",
"structure_string": "Mg1 Nb2\n1.0\n-1.453343 -2.517264 -0.000000\n1.453343 -2.517264 -0.000000\n-0.000000 -1.678175 7.822947\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.222352 0.222352 0.332943 Nb\n0.777647 0.777647 0.667058 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "Mg-Nb",
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"density_atomic": 0.052411185476297945,
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"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.110067247619047,
"spacegroup": 166
},
{
"id": "jvasp-105819",
"created_at": "2022-09-04T14:35:47.061727Z",
"updated_at": "2022-09-04T14:35:47.061752Z",
"structure_string": "Mg1 Nb3\n1.0\n3.965218 -0.287338 -2.543236\n-1.336199 3.744341 -2.543236\n0.218518 0.287338 4.705662\nMg Nb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000001 Nb\n0.750001 0.250000 0.499999 Nb\n0.250000 0.750000 0.499999 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Nb",
"density": 6.783865369512413,
"density_atomic": 0.053927574438407753,
"volume": 74.17355669442385,
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"formula_full": "Mg1 Nb3",
"formula_reduced": "MgNb3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-91899",
"created_at": "2022-09-04T14:35:46.086517Z",
"updated_at": "2022-09-04T14:35:46.086542Z",
"structure_string": "Mg7 Nb1\n1.0\n6.304156 -0.000000 -0.000000\n-3.152077 5.459559 0.000000\n-0.000000 0.000000 4.960253\nMg Nb\n7 1\ndirect\n0.169785 0.834892 0.250000 Mg\n0.665108 0.330215 0.250000 Mg\n0.665108 0.834892 0.250000 Mg\n0.325403 0.174597 0.750000 Mg\n0.325403 0.650807 0.750000 Mg\n0.849194 0.174597 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mg-Nb",
"density": 2.558496505865191,
"density_atomic": 0.04685993085228762,
"volume": 170.72154940257352,
"volume_molar": 12.851365015844896,
"formula_full": "Mg7 Nb1",
"formula_reduced": "Mg7Nb",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-79163",
"created_at": "2022-09-04T14:37:57.001182Z",
"updated_at": "2022-09-04T14:37:57.001196Z",
"structure_string": "Mg3 Nb1\n1.0\n6.306030 0.328464 -0.000000\n-1.434277 2.484242 0.000000\n-0.000000 0.000000 5.050789\nMg Nb\n3 1\ndirect\n0.649772 0.649771 0.250000 Mg\n0.331448 0.331448 0.750000 Mg\n0.866631 0.366630 0.750000 Mg\n0.152147 0.652146 0.250000 Nb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Nb",
"density": 3.3784121631683863,
"density_atomic": 0.049077564301845775,
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"spacegroup": 25
},
{
"id": "jvasp-78478",
"created_at": "2022-09-04T14:37:02.271428Z",
"updated_at": "2022-09-04T14:37:02.271453Z",
"structure_string": "Mg1 Nb2\n1.0\n2.181056 1.715836 -0.666448\n2.181056 -1.715836 -0.666448\n0.049841 0.000000 -7.633063\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.327572 0.327572 0.344659 Nb\n0.672430 0.672430 0.655341 Nb\n",
"nsites": 3,
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"elements": [
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"volume": 57.016960618390634,
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"formula_full": "Mg1 Nb2",
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"formula_anonymous": "AB2",
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"spacegroup": 69
},
{
"id": "jvasp-94101",
"created_at": "2022-09-04T14:36:02.454130Z",
"updated_at": "2022-09-04T14:36:02.454146Z",
"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.243670 -0.189655 0.000000\n-3.286081 5.312348 0.000000\n0.000000 0.000000 4.757366\nMg Nb Ni\n6 1 1\ndirect\n0.178373 0.842903 0.250000 Mg\n0.657097 0.321626 0.250000 Mg\n0.675977 0.824023 0.250000 Mg\n0.320293 0.669072 0.750001 Mg\n0.830928 0.179706 0.750001 Mg\n0.831300 0.668699 0.750001 Mg\n0.308163 0.191837 0.750001 Nb\n0.197870 0.302130 0.250000 Ni\n",
"nsites": 8,
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"volume_molar": 11.655102785773844,
"formula_full": "Mg6 Nb1 Ni1",
"formula_reduced": "Mg6NbNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2220382624999999,
"spacegroup": 38
}
]
}