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{
"count": 55712,
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"results": [
{
"id": "jvasp-86724",
"created_at": "2022-09-04T14:35:57.552461Z",
"updated_at": "2022-09-04T14:35:57.552486Z",
"structure_string": "Pr1 Mg2 Ni9\n1.0\n4.666679 -0.013019 6.967422\n2.108128 4.163395 6.967422\n-0.021251 -0.013019 8.385845\nPr Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Pr\n0.855478 0.855475 0.855477 Mg\n0.144523 0.144523 0.144523 Mg\n0.587189 0.082588 0.587189 Ni\n0.412812 0.917410 0.412811 Ni\n0.666495 0.666493 0.666494 Ni\n0.587190 0.587188 0.082589 Ni\n0.917412 0.412810 0.412811 Ni\n0.333507 0.333506 0.333506 Ni\n0.500001 0.499999 0.500000 Ni\n0.412812 0.412810 0.917412 Ni\n0.082589 0.587188 0.587189 Ni\n",
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],
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"volume": 164.0111128312828,
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"formula_full": "Pr1 Mg2 Ni9",
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{
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"created_at": "2022-09-04T14:36:08.991847Z",
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"structure_string": "Pr1 Mg2 Ni9\n1.0\n4.666679 -0.013019 6.967422\n2.108128 4.163395 6.967422\n-0.021251 -0.013019 8.385845\nPr Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Pr\n0.855478 0.855475 0.855477 Mg\n0.144523 0.144523 0.144523 Mg\n0.587189 0.082588 0.587189 Ni\n0.412812 0.917410 0.412811 Ni\n0.666495 0.666493 0.666494 Ni\n0.587190 0.587188 0.082589 Ni\n0.917412 0.412810 0.412811 Ni\n0.333507 0.333506 0.333506 Ni\n0.500001 0.499999 0.500000 Ni\n0.412812 0.412810 0.917412 Ni\n0.082590 0.587188 0.587189 Ni\n",
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"Ni"
],
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"density_atomic": 0.07316577390913948,
"volume": 164.0111128312828,
"volume_molar": 8.230816730618558,
"formula_full": "Pr1 Mg2 Ni9",
"formula_reduced": "PrMg2Ni9",
"formula_anonymous": "AB2C9",
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"spacegroup": 166
},
{
"id": "jvasp-99468",
"created_at": "2022-09-04T14:36:38.927480Z",
"updated_at": "2022-09-04T14:36:38.927510Z",
"structure_string": "Mg2 Ni1 Rh1\n1.0\n3.755376 -0.000000 2.168167\n1.251792 3.540602 2.168167\n-0.000000 -0.000000 4.336334\nMg Ni Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Rh"
],
"chemical_system": "Mg-Ni-Rh",
"density": 6.054062979532571,
"density_atomic": 0.06937559626685529,
"volume": 57.65716210371557,
"volume_molar": 8.680488650267822,
"formula_full": "Mg2 Ni1 Rh1",
"formula_reduced": "Mg2NiRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4563033749999999,
"spacegroup": 225
},
{
"id": "jvasp-58476",
"created_at": "2022-09-04T14:38:33.840439Z",
"updated_at": "2022-09-04T14:38:33.840467Z",
"structure_string": "Mg2 Ni4 S8\n1.0\n6.204497 0.000000 -3.257440\n-1.710197 5.964145 -3.257440\n-0.286363 -0.380017 6.992182\nMg Ni S\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 -0.000000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.765786 0.797283 0.531572 S\n0.765713 0.234214 0.968428 S\n0.202717 0.234214 0.968428 S\n0.234215 0.202717 0.468428 S\n0.234215 0.765713 0.468429 S\n0.234287 0.765786 0.031572 S\n0.765786 0.234287 0.531572 S\n0.797283 0.765786 0.031572 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"S"
],
"chemical_system": "Mg-Ni-S",
"density": 3.683645510146241,
"density_atomic": 0.05752286980785516,
"volume": 243.38145935285377,
"volume_molar": 10.469124332836456,
"formula_full": "Mg2 Ni4 S8",
"formula_reduced": "Mg(NiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3498148357142856,
"spacegroup": 227
},
{
"id": "jvasp-10816",
"created_at": "2022-09-04T14:37:17.698746Z",
"updated_at": "2022-09-04T14:37:17.698770Z",
"structure_string": "Mg1 Ni4 S8\n1.0\n6.803075 0.015820 0.011186\n3.415238 5.915366 -0.000000\n3.415238 1.971789 5.577061\nMg Ni S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.265824 0.259978 0.259978 S\n0.265824 0.259978 0.714221 S\n0.265824 0.714221 0.259978 S\n0.716649 0.261117 0.261118 S\n0.283352 0.738883 0.738883 S\n0.734177 0.740022 0.285780 S\n0.734177 0.285780 0.740022 S\n0.734177 0.740023 0.740022 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"S"
],
"chemical_system": "Mg-Ni-S",
"density": 3.8224695689867536,
"density_atomic": 0.058039887509727,
"volume": 223.98389379754238,
"volume_molar": 10.375865664782241,
"formula_full": "Mg1 Ni4 S8",
"formula_reduced": "Mg(NiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.7092752807692309,
"spacegroup": 166
},
{
"id": "jvasp-17322",
"created_at": "2022-09-04T14:38:29.473636Z",
"updated_at": "2022-09-04T14:38:29.473655Z",
"structure_string": "Mg1 Ni1 Sb1\n1.0\n3.726470 0.000000 2.151479\n1.242157 3.513349 2.151479\n0.000000 0.000000 4.302956\nMg Ni Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Sb"
],
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"density": 6.035385254560053,
"density_atomic": 0.05325193919714569,
"volume": 56.33597659032857,
"volume_molar": 11.30877269596745,
"formula_full": "Mg1 Ni1 Sb1",
"formula_reduced": "MgNiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3881725166666668,
"spacegroup": 216
},
{
"id": "jvasp-18741",
"created_at": "2022-09-04T14:35:56.775174Z",
"updated_at": "2022-09-04T14:35:56.775206Z",
"structure_string": "Mg1 Ni2 Sb1\n1.0\n3.789000 -0.000000 2.187581\n1.263000 3.572304 2.187581\n0.000000 0.000000 4.375160\nMg Ni Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ni\n0.750000 0.749999 0.750000 Ni\n0.500000 0.499999 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Sb"
],
"chemical_system": "Mg-Ni-Sb",
"density": 7.387258776220598,
"density_atomic": 0.06754497361007908,
"volume": 59.21980254357697,
"volume_molar": 8.915749667420663,
"formula_full": "Mg1 Ni2 Sb1",
"formula_reduced": "MgNi2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6509449875,
"spacegroup": 225
},
{
"id": "jvasp-17323",
"created_at": "2022-09-04T14:38:29.695815Z",
"updated_at": "2022-09-04T14:38:29.695825Z",
"structure_string": "Mg2 Si1 Ni3\n1.0\n4.227602 -0.006120 2.010735\n1.267724 4.033054 2.010735\n-0.008353 -0.006120 4.681411\nMg Si Ni\n2 1 3\ndirect\n0.125721 0.125721 0.125721 Mg\n0.874279 0.874278 0.874277 Mg\n0.500000 0.500000 0.499999 Si\n0.499999 0.500000 -0.000001 Ni\n0.500000 0.000000 0.499999 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
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"elements": [
"Mg",
"Si",
"Ni"
],
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"density": 5.2494676917556875,
"density_atomic": 0.07503814654434703,
"volume": 79.95933103776812,
"volume_molar": 8.025439109747943,
"formula_full": "Mg2 Si1 Ni3",
"formula_reduced": "Mg2SiNi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8206559111111112,
"spacegroup": 166
},
{
"id": "jvasp-94182",
"created_at": "2022-09-04T14:35:45.487063Z",
"updated_at": "2022-09-04T14:35:45.487093Z",
"structure_string": "Mg6 Si1 Ni1\n1.0\n6.135792 0.030955 0.000000\n-3.041088 5.329228 0.000000\n0.000000 0.000000 4.624007\nMg Si Ni\n6 1 1\ndirect\n0.166099 0.852182 0.250000 Mg\n0.647818 0.333901 0.250000 Mg\n0.662679 0.837322 0.250000 Mg\n0.324766 0.642042 0.750001 Mg\n0.857958 0.175235 0.750001 Mg\n0.832268 0.667733 0.750001 Mg\n0.317441 0.182559 0.750001 Si\n0.190970 0.309030 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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"Ni"
],
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"density": 2.547261449984299,
"density_atomic": 0.05275797103078451,
"volume": 151.63585414101624,
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"formula_full": "Mg6 Si1 Ni1",
"formula_reduced": "Mg6SiNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94121",
"created_at": "2022-09-04T14:35:50.786835Z",
"updated_at": "2022-09-04T14:35:50.786854Z",
"structure_string": "Mg6 Si1 Ni1\n1.0\n6.020366 -0.158919 0.000000\n-3.147810 5.452168 0.000000\n0.000000 0.000000 4.661460\nMg Si Ni\n6 1 1\ndirect\n0.676698 0.335839 0.250000 Mg\n0.676698 0.840857 0.250000 Mg\n0.318814 0.171764 0.750000 Mg\n0.318814 0.647052 0.750000 Mg\n0.844582 0.172291 0.750000 Mg\n0.835786 0.667894 0.750000 Mg\n0.167980 0.833990 0.250000 Si\n0.160631 0.330316 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.5634866003301675,
"density_atomic": 0.0530940205603382,
"volume": 150.67610091626938,
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"formula_full": "Mg6 Si1 Ni1",
"formula_reduced": "Mg6SiNi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-56516",
"created_at": "2022-09-04T14:37:09.583279Z",
"updated_at": "2022-09-04T14:37:09.583314Z",
"structure_string": "Mg6 Si7 Ni16\n1.0\n6.942896 -0.000000 4.008483\n2.314299 6.545827 4.008483\n-0.000000 -0.000000 8.016967\nMg Si Ni\n6 7 16\ndirect\n0.204861 0.795139 0.204861 Mg\n0.795139 0.204861 0.204861 Mg\n0.795139 0.795139 0.204860 Mg\n0.204861 0.795139 0.795138 Mg\n0.204861 0.204861 0.795139 Mg\n0.795139 0.204861 0.795138 Mg\n0.500000 0.500000 -0.000001 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 -0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.832796 0.832796 0.501613 Ni\n0.382085 0.853746 0.382085 Ni\n0.832796 0.501614 0.832795 Ni\n0.832796 0.832796 0.832795 Ni\n0.167205 0.167205 0.167204 Ni\n0.382085 0.382085 0.382085 Ni\n0.617915 0.617915 0.146254 Ni\n0.853746 0.382085 0.382085 Ni\n0.617915 0.146255 0.617914 Ni\n0.146255 0.617915 0.617914 Ni\n0.167205 0.498387 0.167204 Ni\n0.617915 0.617915 0.617914 Ni\n0.382085 0.382085 0.853745 Ni\n0.498387 0.167205 0.167204 Ni\n0.501614 0.832796 0.832795 Ni\n0.167205 0.167205 0.498386 Ni\n",
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"formula_full": "Mg6 Si7 Ni16",
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"formula_anonymous": "A6B7C16",
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{
"id": "jvasp-56230",
"created_at": "2022-09-04T14:37:39.173877Z",
"updated_at": "2022-09-04T14:37:39.173902Z",
"structure_string": "Sm1 Mg2 Ni9\n1.0\n4.650821 -0.001256 6.953070\n2.110121 4.144578 6.953070\n-0.002050 -0.001256 8.365125\nSm Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Sm\n0.144028 0.144028 0.144028 Mg\n0.855972 0.855970 0.855972 Mg\n0.333535 0.333535 0.333535 Ni\n0.917764 0.413316 0.413317 Ni\n0.586683 0.586683 0.082237 Ni\n0.413317 0.917763 0.413317 Ni\n0.082236 0.586683 0.586683 Ni\n0.666465 0.666464 0.666465 Ni\n0.500000 0.499999 0.500000 Ni\n0.586684 0.082235 0.586684 Ni\n0.413317 0.413316 0.917764 Ni\n",
"nsites": 12,
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"elements": [
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],
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"volume": 161.34701177293567,
"volume_molar": 8.0971201341833,
"formula_full": "Sm1 Mg2 Ni9",
"formula_reduced": "SmMg2Ni9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.9058932145833332,
"spacegroup": 166
}
]
}