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{
"id": "jvasp-79110",
"created_at": "2022-09-04T14:37:12.785407Z",
"updated_at": "2022-09-04T14:37:12.785419Z",
"structure_string": "Sm2 Mg1\n1.0\n3.611896 0.000027 -0.000015\n-0.000030 -2.559957 2.547960\n-1.805916 -3.533935 -6.110665\nSm Mg\n2 1\ndirect\n0.355384 0.438674 0.710782 Sm\n0.033502 0.116881 0.067006 Sm\n0.694447 0.777779 0.388876 Mg\n",
"nsites": 3,
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"density": 6.062620794122885,
"density_atomic": 0.03369890544665307,
"volume": 89.02366294208394,
"volume_molar": 17.870434306934175,
"formula_full": "Sm2 Mg1",
"formula_reduced": "Sm2Mg",
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},
{
"id": "jvasp-18745",
"created_at": "2022-09-04T14:35:51.765220Z",
"updated_at": "2022-09-04T14:35:51.765244Z",
"structure_string": "Sm1 Mg3\n1.0\n4.494111 0.000000 2.594676\n1.498037 4.237089 2.594676\n0.000000 0.000000 5.189353\nSm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750001 Mg\n",
"nsites": 4,
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"volume": 98.81539144760299,
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"formula_full": "Sm1 Mg3",
"formula_reduced": "SmMg3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-110033",
"created_at": "2022-09-04T14:38:37.336037Z",
"updated_at": "2022-09-04T14:38:37.336061Z",
"structure_string": "Sm1 Mg5\n1.0\n7.016512 0.035330 1.607399\n6.269575 3.150416 1.607399\n-0.019106 -0.004581 6.730367\nSm Mg\n1 5\ndirect\n0.499999 0.500001 0.500000 Sm\n0.174476 0.174477 0.669657 Mg\n0.830487 0.830491 0.844576 Mg\n0.499999 0.500001 0.000000 Mg\n0.169510 0.169511 0.155425 Mg\n0.825521 0.825524 0.330344 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 3.0632471863418056,
"density_atomic": 0.04070979806579833,
"volume": 147.38466622463554,
"volume_molar": 14.792853431172885,
"formula_full": "Sm1 Mg5",
"formula_reduced": "SmMg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-122870",
"created_at": "2022-09-04T14:38:54.789437Z",
"updated_at": "2022-09-04T14:38:54.789465Z",
"structure_string": "Sm3 Mg1\n1.0\n1.781635 -3.085882 -0.000000\n1.781635 3.085882 -0.000000\n0.000000 0.000000 11.261764\nSm Mg\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333335 0.666668 0.240190 Sm\n0.666668 0.333335 0.759810 Sm\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 6.374705161709366,
"density_atomic": 0.032301710656061015,
"volume": 123.8324509370667,
"volume_molar": 18.64341125497024,
"formula_full": "Sm3 Mg1",
"formula_reduced": "Sm3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0864292124999997,
"spacegroup": 164
},
{
"id": "jvasp-14762",
"created_at": "2022-09-04T14:36:51.499503Z",
"updated_at": "2022-09-04T14:36:51.499525Z",
"structure_string": "Sm2 Mg4\n1.0\n5.250332 0.000000 3.031280\n1.750110 4.950060 3.031280\n-0.000000 0.000000 6.062561\nSm Mg\n2 4\ndirect\n0.875000 0.875000 0.875000 Sm\n0.125000 0.125000 0.125000 Sm\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 4.193854335481456,
"density_atomic": 0.03808008414926901,
"volume": 157.5626770277286,
"volume_molar": 15.81441032639,
"formula_full": "Sm2 Mg4",
"formula_reduced": "SmMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3293664416666666,
"spacegroup": 227
},
{
"id": "jvasp-37671",
"created_at": "2022-09-04T14:37:30.135041Z",
"updated_at": "2022-09-04T14:37:30.135062Z",
"structure_string": "Sm5 Mg1\n1.0\n3.625919 0.000000 0.000000\n1.812959 9.037101 0.000000\n0.000000 0.000000 5.711409\nSm Mg\n5 1\ndirect\n0.994770 0.010463 0.000000 Sm\n0.326285 0.347430 0.000000 Sm\n0.665622 0.668756 0.000000 Sm\n0.446194 0.107612 0.500000 Sm\n0.119223 0.761557 0.500000 Sm\n0.781244 0.437514 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 6.886191296503282,
"density_atomic": 0.03205979600865399,
"volume": 187.15028624575163,
"volume_molar": 18.784089450770136,
"formula_full": "Sm5 Mg1",
"formula_reduced": "Sm5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 1.3609857666666667,
"spacegroup": 38
},
{
"id": "jvasp-30465",
"created_at": "2022-09-04T14:37:57.901745Z",
"updated_at": "2022-09-04T14:37:57.901761Z",
"structure_string": "Sm4 Mg2\n1.0\n3.738507 -0.000000 0.000000\n1.869254 8.612830 0.000000\n0.000000 0.000000 5.536861\nSm Mg\n4 2\ndirect\n0.979258 0.041488 0.000000 Sm\n0.660614 0.678773 0.000000 Sm\n0.798522 0.402956 0.499999 Sm\n0.117162 0.765671 0.499999 Sm\n0.321230 0.357537 0.000000 Mg\n0.456545 0.086908 0.499999 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 6.054637770587382,
"density_atomic": 0.0336545320371266,
"volume": 178.28208080210393,
"volume_molar": 17.89399642626606,
"formula_full": "Sm4 Mg2",
"formula_reduced": "Sm2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8377559916666666,
"spacegroup": 63
},
{
"id": "jvasp-37446",
"created_at": "2022-09-04T14:38:02.291540Z",
"updated_at": "2022-09-04T14:38:02.291573Z",
"structure_string": "Sm5 Mg1\n1.0\n-5.356646 3.092659 0.000000\n0.000000 -6.185324 -0.000000\n-1.785549 3.092659 5.612435\nSm Mg\n5 1\ndirect\n0.689455 0.356122 0.000000 Sm\n0.977211 0.000000 -0.000000 Sm\n0.333333 0.643877 0.000000 Sm\n0.496102 0.837231 0.511694 Sm\n0.170565 0.162768 0.488306 Sm\n0.833333 0.500000 0.500001 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 6.930472654155669,
"density_atomic": 0.03226595515123294,
"volume": 185.95451372437455,
"volume_molar": 18.664070943425592,
"formula_full": "Sm5 Mg1",
"formula_reduced": "Sm5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 1.3589374333333335,
"spacegroup": 155
},
{
"id": "jvasp-37305",
"created_at": "2022-09-04T14:37:55.600339Z",
"updated_at": "2022-09-04T14:37:55.600367Z",
"structure_string": "Sm3 Mg1\n1.0\n-2.455737 2.455737 4.949005\n2.455737 -2.455737 4.949005\n2.455737 2.455737 -4.949005\nSm Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sm\n0.750000 0.250000 0.500001 Sm\n0.250000 0.750000 0.500001 Sm\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Mg"
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"chemical_system": "Mg-Sm",
"density": 6.612306562869147,
"density_atomic": 0.033505677195225604,
"volume": 119.38275345677778,
"volume_molar": 17.973493640827307,
"formula_full": "Sm3 Mg1",
"formula_reduced": "Sm3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0854867124999998,
"spacegroup": 139
},
{
"id": "jvasp-33858",
"created_at": "2022-09-04T14:37:57.908132Z",
"updated_at": "2022-09-04T14:37:57.908156Z",
"structure_string": "Sm2 Mg6\n1.0\n6.735777 0.000000 -0.000000\n-3.367889 5.833354 0.000000\n0.000000 0.000000 5.190008\nSm Mg\n2 6\ndirect\n0.666668 0.333333 0.250001 Sm\n0.333333 0.666666 0.750000 Sm\n0.163263 0.326525 0.250001 Mg\n0.163263 0.836736 0.250001 Mg\n0.673473 0.836736 0.250001 Mg\n0.326527 0.163263 0.750000 Mg\n0.836737 0.163263 0.750000 Mg\n0.836737 0.673473 0.750000 Mg\n",
"nsites": 8,
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"elements": [
"Sm",
"Mg"
],
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"density": 3.636177964653838,
"density_atomic": 0.039229784864625326,
"volume": 203.92668549181465,
"volume_molar": 15.350940059399472,
"formula_full": "Sm2 Mg6",
"formula_reduced": "SmMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1816448875,
"spacegroup": 194
},
{
"id": "jvasp-111297",
"created_at": "2022-09-04T14:38:49.598453Z",
"updated_at": "2022-09-04T14:38:49.598475Z",
"structure_string": "Sm4 Mg2\n1.0\n7.021448 0.120746 1.805392\n6.024597 3.608261 1.805392\n0.009073 0.002593 7.255624\nSm Mg\n4 2\ndirect\n0.839783 0.839783 0.580086 Sm\n0.160217 0.160217 0.419913 Sm\n0.839789 0.839790 0.080092 Sm\n0.160211 0.160210 0.919907 Sm\n0.499995 0.499994 0.749985 Mg\n0.500006 0.500006 0.250013 Mg\n",
"nsites": 6,
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"elements": [
"Sm",
"Mg"
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"density": 6.047824049509292,
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"volume": 178.4829405430393,
"volume_molar": 17.91415652014823,
"formula_full": "Sm4 Mg2",
"formula_reduced": "Sm2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8353493249999999,
"spacegroup": 139
},
{
"id": "jvasp-39053",
"created_at": "2022-09-04T14:37:47.687343Z",
"updated_at": "2022-09-04T14:37:47.687364Z",
"structure_string": "Sm2 Lu6\n1.0\n3.520945 -6.098456 0.000000\n3.520945 6.098456 0.000000\n-0.000000 0.000000 5.510500\nSm Lu\n2 6\ndirect\n0.333334 0.666668 0.750000 Sm\n0.666668 0.333334 0.250000 Sm\n0.165144 0.330288 0.250000 Lu\n0.669714 0.834857 0.250000 Lu\n0.165144 0.834857 0.250000 Lu\n0.834857 0.669714 0.750000 Lu\n0.330288 0.165144 0.750000 Lu\n0.834857 0.165144 0.750000 Lu\n",
"nsites": 8,
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"elements": [
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"Lu"
],
"chemical_system": "Lu-Sm",
"density": 9.476557944826592,
"density_atomic": 0.03380569343336217,
"volume": 236.64652866149933,
"volume_molar": 17.813983824561543,
"formula_full": "Sm2 Lu6",
"formula_reduced": "SmLu3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.38576653125,
"spacegroup": 194
}
]
}