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{
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"results": [
{
"id": "jvasp-106562",
"created_at": "2022-09-04T14:36:53.676270Z",
"updated_at": "2022-09-04T14:36:53.676288Z",
"structure_string": "Mg1 Pd3\n1.0\n3.638055 0.016443 -3.161031\n-0.745500 3.560890 -3.161031\n-0.013295 -0.016443 4.819479\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 -0.000001 Pd\n0.749998 0.250000 0.499999 Pd\n0.249999 0.750000 0.500000 Pd\n",
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{
"id": "jvasp-101589",
"created_at": "2022-09-04T14:36:53.299455Z",
"updated_at": "2022-09-04T14:36:53.299480Z",
"structure_string": "Mg2 Pd6\n1.0\n5.621439 0.000000 0.000000\n-2.810720 4.868308 0.000000\n-0.000000 -0.000000 4.541970\nMg Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333334 0.666667 0.750000 Mg\n0.166822 0.333644 0.250000 Pd\n0.166822 0.833179 0.250000 Pd\n0.666356 0.833179 0.250000 Pd\n0.333644 0.166822 0.750000 Pd\n0.833179 0.166822 0.750000 Pd\n0.833179 0.666356 0.750000 Pd\n",
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"formula_full": "Mg2 Pd6",
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"spacegroup": 194
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{
"id": "jvasp-14913",
"created_at": "2022-09-04T14:36:57.289333Z",
"updated_at": "2022-09-04T14:36:57.289362Z",
"structure_string": "Mg1 Pd3\n1.0\n3.959773 0.000000 -0.000000\n0.000000 3.959773 -0.000000\n0.000000 0.000000 3.959773\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Pd",
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"volume": 62.08845744255283,
"volume_molar": 9.347635757258068,
"formula_full": "Mg1 Pd3",
"formula_reduced": "MgPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.06561399,
"spacegroup": 221
},
{
"id": "jvasp-11005",
"created_at": "2022-09-04T14:36:49.085721Z",
"updated_at": "2022-09-04T14:36:49.085738Z",
"structure_string": "Mg4 Pd8\n1.0\n4.164844 -0.000000 0.000000\n0.000000 5.514205 0.000000\n0.000000 0.000000 8.162412\nMg Pd\n4 8\ndirect\n0.749999 0.666883 0.098325 Mg\n0.250000 0.333118 0.901675 Mg\n0.749999 0.166883 0.401675 Mg\n0.250000 0.833118 0.598325 Mg\n0.749999 0.656820 0.427325 Pd\n0.250000 0.343181 0.572675 Pd\n0.749999 0.156820 0.072675 Pd\n0.250000 0.843181 0.927325 Pd\n0.749999 0.570922 0.764750 Pd\n0.250000 0.429079 0.235249 Pd\n0.749999 0.070921 0.735249 Pd\n0.250000 0.929079 0.264750 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 8.402778244974419,
"density_atomic": 0.06401490233880823,
"volume": 187.45635096790815,
"volume_molar": 9.407404432372541,
"formula_full": "Mg4 Pd8",
"formula_reduced": "MgPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.73198342,
"spacegroup": 62
},
{
"id": "jvasp-90065",
"created_at": "2022-09-04T14:35:58.621263Z",
"updated_at": "2022-09-04T14:35:58.621293Z",
"structure_string": "Pr3 Mg3 Pd3\n1.0\n0.000000 0.000000 -4.116903\n-3.842947 -6.656179 0.000000\n-3.843680 6.656602 0.000000\nPr Mg Pd\n3 3 3\ndirect\n0.500000 0.585013 0.000000 Pr\n0.500000 0.414967 0.414985 Pr\n0.500000 0.999982 0.585015 Pr\n0.000000 0.238585 0.000000 Mg\n0.000000 0.761399 0.761407 Mg\n0.000000 -0.000008 0.238594 Mg\n0.000000 0.333320 0.666668 Pd\n0.000000 0.666653 0.333332 Pd\n0.500000 0.999990 0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Mg",
"Pd"
],
"chemical_system": "Mg-Pd-Pr",
"density": 6.424023046711229,
"density_atomic": 0.04272649592692365,
"volume": 210.6421274375731,
"volume_molar": 14.094628237943594,
"formula_full": "Pr3 Mg3 Pd3",
"formula_reduced": "PrMgPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5168248666666667,
"spacegroup": 189
},
{
"id": "jvasp-105895",
"created_at": "2022-09-04T14:35:42.214509Z",
"updated_at": "2022-09-04T14:35:42.214532Z",
"structure_string": "Pr4 Mg2 Pd4\n1.0\n7.786271 0.000000 0.000000\n0.000000 7.786271 -0.000000\n0.000000 0.000000 4.037964\nPr Mg Pd\n4 2 4\ndirect\n0.670902 0.170902 0.500000 Pr\n0.329098 0.829098 0.500000 Pr\n0.170902 0.329098 0.500000 Pr\n0.829098 0.670902 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.130987 0.630987 0.000000 Pd\n0.869013 0.369013 0.000000 Pd\n0.630987 0.869013 0.000000 Pd\n0.369013 0.130987 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mg",
"Pd"
],
"chemical_system": "Mg-Pd-Pr",
"density": 7.040309570432351,
"density_atomic": 0.0408487270045228,
"volume": 244.80567041643167,
"volume_molar": 14.742542060939194,
"formula_full": "Pr4 Mg2 Pd4",
"formula_reduced": "Pr2MgPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.10367003,
"spacegroup": 127
},
{
"id": "jvasp-41217",
"created_at": "2022-09-04T14:37:40.008940Z",
"updated_at": "2022-09-04T14:37:40.008977Z",
"structure_string": "Mg2 Pd1 Pt1\n1.0\n0.000000 3.166730 3.166730\n3.166730 -0.000000 3.166730\n3.166730 3.166730 0.000000\nMg Pd Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249999 0.249999 0.249999 Pd\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"Pd",
"Pt"
],
"chemical_system": "Mg-Pd-Pt",
"density": 9.153674602111046,
"density_atomic": 0.06297916329446938,
"volume": 63.513069891026426,
"volume_molar": 9.562116174586976,
"formula_full": "Mg2 Pd1 Pt1",
"formula_reduced": "Mg2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4324088,
"spacegroup": 225
},
{
"id": "jvasp-41211",
"created_at": "2022-09-04T14:37:19.909716Z",
"updated_at": "2022-09-04T14:37:19.909749Z",
"structure_string": "Mg2 Pd1 Rh1\n1.0\n-0.000010 3.133705 3.133705\n3.133705 -0.000010 3.133705\n3.133705 3.133705 -0.000010\nMg Pd Rh\n2 1 1\ndirect\n0.499993 0.499993 0.499993 Mg\n0.000005 0.000005 0.000005 Mg\n0.249997 0.249997 0.249997 Pd\n0.750003 0.750003 0.750003 Rh\n",
"nsites": 4,
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"elements": [
"Mg",
"Pd",
"Rh"
],
"chemical_system": "Mg-Pd-Rh",
"density": 6.959111744154062,
"density_atomic": 0.06499105474406995,
"volume": 61.54693158545756,
"volume_molar": 9.266107133842883,
"formula_full": "Mg2 Pd1 Rh1",
"formula_reduced": "Mg2PdRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5450192,
"spacegroup": 225
},
{
"id": "jvasp-15913",
"created_at": "2022-09-04T14:37:55.605868Z",
"updated_at": "2022-09-04T14:37:55.605887Z",
"structure_string": "Mg1 Sb1 Pd1\n1.0\n3.884361 0.000000 2.242637\n1.294787 3.662211 2.242637\n-0.000000 -0.000000 4.485274\nMg Sb Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
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"elements": [
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"Sb",
"Pd"
],
"chemical_system": "Mg-Pd-Sb",
"density": 6.5710194539999955,
"density_atomic": 0.04701856043213824,
"volume": 63.804590621822456,
"volume_molar": 12.808007528626359,
"formula_full": "Mg1 Sb1 Pd1",
"formula_reduced": "MgSbPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5111936166666669,
"spacegroup": 216
},
{
"id": "jvasp-38886",
"created_at": "2022-09-04T14:37:57.738779Z",
"updated_at": "2022-09-04T14:37:57.738807Z",
"structure_string": "Mg1 Sb1 Pd2\n1.0\n0.000000 3.276330 3.276330\n3.276330 0.000000 3.276330\n3.276330 3.276330 0.000000\nMg Sb Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Sb\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
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"density_atomic": 0.05686788548010616,
"volume": 70.33846900109029,
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"formula_full": "Mg1 Sb1 Pd2",
"formula_reduced": "MgSbPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8778941375,
"spacegroup": 225
},
{
"id": "jvasp-38874",
"created_at": "2022-09-04T14:37:56.104584Z",
"updated_at": "2022-09-04T14:37:56.104608Z",
"structure_string": "Mg1 Sc1 Pd2\n1.0\n-0.000000 3.242453 3.242453\n3.242453 0.000000 3.242453\n3.242453 3.242453 0.000000\nMg Sc Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Sc\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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],
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"density": 6.870724317050859,
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"volume": 68.17906868086338,
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"formula_full": "Mg1 Sc1 Pd2",
"formula_reduced": "MgScPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-108034",
"created_at": "2022-09-04T14:38:28.004432Z",
"updated_at": "2022-09-04T14:38:28.004465Z",
"structure_string": "Sm4 Mg2 Pd4\n1.0\n7.683550 -0.000000 0.000000\n0.000000 7.683550 0.000000\n-0.000000 0.000000 3.927372\nSm Mg Pd\n4 2 4\ndirect\n0.669751 0.169751 0.500000 Sm\n0.330249 0.830249 0.500000 Sm\n0.169751 0.330249 0.500000 Sm\n0.830249 0.669751 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.132040 0.632040 -0.000000 Pd\n0.867960 0.367960 -0.000000 Pd\n0.632040 0.867960 -0.000000 Pd\n0.367960 0.132040 -0.000000 Pd\n",
"nsites": 10,
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"elements": [
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"Pd"
],
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"volume": 231.86002748792166,
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"formula_full": "Sm4 Mg2 Pd4",
"formula_reduced": "Sm2MgPd2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
}
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}