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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4088",
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"results": [
{
"id": "jvasp-34172",
"created_at": "2022-09-04T14:37:28.906684Z",
"updated_at": "2022-09-04T14:37:28.906709Z",
"structure_string": "Mg18 Sn10\n1.0\n8.790197 0.048783 -1.092622\n-1.242779 8.702037 -1.092622\n0.042074 0.048783 8.857743\nMg Sn\n18 10\ndirect\n0.650884 0.339203 0.247184 Mg\n0.665132 0.597464 0.968408 Mg\n0.597464 0.968408 0.665133 Mg\n0.989199 0.071543 0.670882 Mg\n0.071543 0.670882 0.989199 Mg\n0.000717 0.918417 0.319099 Mg\n0.918417 0.319099 0.000718 Mg\n0.319098 0.000717 0.918416 Mg\n0.968408 0.665132 0.597464 Mg\n0.670882 0.989200 0.071544 Mg\n0.324804 0.392432 0.021476 Mg\n0.021475 0.324804 0.392432 Mg\n0.742731 0.339031 0.650709 Mg\n0.650709 0.742731 0.339031 Mg\n0.339031 0.650709 0.742731 Mg\n0.247184 0.650884 0.339204 Mg\n0.339203 0.247184 0.650883 Mg\n0.392432 0.021475 0.324804 Mg\n0.244970 0.906870 0.583444 Sn\n0.406510 0.744939 0.083054 Sn\n0.083053 0.406510 0.744938 Sn\n0.744939 0.083053 0.406510 Sn\n0.863124 0.863124 0.863124 Sn\n0.626451 0.626451 0.626452 Sn\n0.126827 0.126827 0.126827 Sn\n0.906870 0.583444 0.244970 Sn\n0.363495 0.363495 0.363495 Sn\n0.583444 0.244970 0.906869 Sn\n",
"nsites": 28,
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],
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"volume": 679.0215490602934,
"volume_molar": 14.604154812551187,
"formula_full": "Mg18 Sn10",
"formula_reduced": "Mg9Sn5",
"formula_anonymous": "A5B9",
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"spacegroup": 148
},
{
"id": "jvasp-90578",
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"updated_at": "2022-09-04T14:36:04.329098Z",
"structure_string": "Mg6 Sn2\n1.0\n4.486622 -0.000000 0.000000\n0.000000 4.486622 0.000000\n0.000000 0.000000 9.071785\nMg Sn\n6 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "Mg-Sn",
"density": 3.484974052690699,
"density_atomic": 0.04380848907502405,
"volume": 182.6130087778109,
"volume_molar": 13.74651554333866,
"formula_full": "Mg6 Sn2",
"formula_reduced": "Mg3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1348259571428571,
"spacegroup": 139
},
{
"id": "jvasp-78555",
"created_at": "2022-09-04T14:36:33.948017Z",
"updated_at": "2022-09-04T14:36:33.948034Z",
"structure_string": "Mg1 Sn1\n1.0\n3.368095 0.000000 0.000000\n0.000000 3.368095 0.000000\n0.000000 0.000000 4.231082\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.500000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.947782274601056,
"density_atomic": 0.04166869393808688,
"volume": 47.99766469694695,
"volume_molar": 14.452434647814863,
"formula_full": "Mg1 Sn1",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.2584478714285714,
"spacegroup": 123
},
{
"id": "jvasp-94351",
"created_at": "2022-09-04T14:35:40.739447Z",
"updated_at": "2022-09-04T14:35:40.739475Z",
"structure_string": "Mg3 Sn3\n1.0\n3.382623 -0.000000 0.000000\n-1.691312 2.929438 0.000000\n-0.000000 -0.000000 15.214237\nMg Sn\n3 3\ndirect\n0.000000 0.000000 0.163755 Mg\n0.333333 0.666667 0.325141 Mg\n0.000000 0.000000 0.841310 Mg\n0.333333 0.666667 0.001897 Sn\n0.000000 0.000000 0.488930 Sn\n0.333333 0.666667 0.678967 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.725675071865612,
"density_atomic": 0.039798175685952585,
"volume": 150.76067926695941,
"volume_molar": 15.131700526980719,
"formula_full": "Mg3 Sn3",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3097228714285714,
"spacegroup": 156
},
{
"id": "jvasp-94353",
"created_at": "2022-09-04T14:35:46.979923Z",
"updated_at": "2022-09-04T14:35:46.979952Z",
"structure_string": "Mg2 Sn4\n1.0\n5.895810 0.000000 -0.000000\n-2.947905 5.105921 0.000000\n0.000000 0.000000 5.156084\nMg Sn\n2 4\ndirect\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.648519 -0.000000 0.000000 Sn\n0.351481 0.351481 -0.000000 Sn\n0.000000 0.648519 -0.000000 Sn\n-0.000000 -0.000000 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 5.59998349745528,
"density_atomic": 0.038655713692242306,
"volume": 155.21638140661523,
"volume_molar": 15.578914951474728,
"formula_full": "Mg2 Sn4",
"formula_reduced": "MgSn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3017758142857143,
"spacegroup": 189
},
{
"id": "jvasp-38927",
"created_at": "2022-09-04T14:37:47.668249Z",
"updated_at": "2022-09-04T14:37:47.668268Z",
"structure_string": "Mg2 Sn6\n1.0\n3.314753 -5.741321 0.000000\n3.314753 5.741321 -0.000000\n0.000000 0.000000 5.540512\nMg Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.831188 0.662376 0.750000 Sn\n0.831188 0.168811 0.750000 Sn\n0.337623 0.168812 0.750000 Sn\n0.662376 0.831188 0.250000 Sn\n0.168811 0.831188 0.250000 Sn\n0.168812 0.337623 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 5.9912392300275465,
"density_atomic": 0.03793561158413754,
"volume": 210.88364378301296,
"volume_molar": 15.874637335537535,
"formula_full": "Mg2 Sn6",
"formula_reduced": "MgSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3292922857142857,
"spacegroup": 194
},
{
"id": "jvasp-14507",
"created_at": "2022-09-04T14:38:13.009300Z",
"updated_at": "2022-09-04T14:38:13.009329Z",
"structure_string": "Mg2 Sn1\n1.0\n4.147653 -0.000000 2.394649\n1.382551 3.910445 2.394649\n-0.000000 -0.000000 4.789297\nMg Sn\n2 1\ndirect\n0.250000 0.250000 0.250001 Mg\n0.749999 0.749999 0.750002 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.5768158892056263,
"density_atomic": 0.03862076637254,
"volume": 77.67841712569043,
"volume_molar": 15.59301206483008,
"formula_full": "Mg2 Sn1",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1535332619047619,
"spacegroup": 225
},
{
"id": "jvasp-94348",
"created_at": "2022-09-04T14:36:12.671180Z",
"updated_at": "2022-09-04T14:36:12.671204Z",
"structure_string": "Mg5 Sn1\n1.0\n5.529216 -0.000000 -0.000000\n-2.764607 4.788441 0.000000\n-0.000000 -0.000000 5.254632\nMg Sn\n5 1\ndirect\n-0.000000 0.335251 0.000000 Mg\n0.664749 0.664749 0.000000 Mg\n0.335251 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 2.8673808122657185,
"density_atomic": 0.04312719845972818,
"volume": 139.12334244485533,
"volume_molar": 13.963672520076688,
"formula_full": "Mg5 Sn1",
"formula_reduced": "Mg5Sn",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0554286523809524,
"spacegroup": 189
},
{
"id": "jvasp-110450",
"created_at": "2022-09-04T14:38:38.802311Z",
"updated_at": "2022-09-04T14:38:38.802336Z",
"structure_string": "Mg2 Sn2\n1.0\n5.764442 -0.030441 1.531227\n4.774641 3.229943 1.531227\n0.003780 0.001147 5.180750\nMg Sn\n2 2\ndirect\n0.372546 0.372547 0.773289 Mg\n0.627454 0.627453 0.226712 Mg\n0.114154 0.114155 0.737993 Sn\n0.885845 0.885845 0.262009 Sn\n",
"nsites": 4,
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"elements": [
"Mg",
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],
"chemical_system": "Mg-Sn",
"density": 4.886871418987632,
"density_atomic": 0.04115572152758052,
"volume": 97.19183266704239,
"volume_molar": 14.632572426082389,
"formula_full": "Mg2 Sn2",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.2595078714285714,
"spacegroup": 12
},
{
"id": "jvasp-90769",
"created_at": "2022-09-04T14:35:55.493499Z",
"updated_at": "2022-09-04T14:35:55.493525Z",
"structure_string": "Mg2 Sn6\n1.0\n4.625761 -0.000000 0.000000\n0.000000 4.625761 0.000000\n0.000000 0.000000 9.854294\nMg Sn\n2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.250000 Sn\n0.000000 0.500000 0.250000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.750000 Sn\n0.500000 0.000000 0.750000 Sn\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.037940066810100107,
"volume": 210.85888013961807,
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"formula_full": "Mg2 Sn6",
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"spacegroup": 139
},
{
"id": "jvasp-91888",
"created_at": "2022-09-04T14:36:01.732166Z",
"updated_at": "2022-09-04T14:36:01.732194Z",
"structure_string": "Mg7 Sn1\n1.0\n6.370071 0.000000 0.000000\n-3.185036 5.516643 0.000000\n0.000000 0.000000 5.210654\nMg Sn\n7 1\ndirect\n0.164488 0.832243 0.250000 Mg\n0.667756 0.335511 0.250000 Mg\n0.667756 0.832243 0.250000 Mg\n0.335797 0.164202 0.749999 Mg\n0.335797 0.671596 0.749999 Mg\n0.828403 0.164202 0.749999 Mg\n0.833332 0.666667 0.749999 Mg\n0.166667 0.333333 0.250000 Sn\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.04368965324895635,
"volume": 183.10971603307706,
"volume_molar": 13.783906055935235,
"formula_full": "Mg7 Sn1",
"formula_reduced": "Mg7Sn",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-92312",
"created_at": "2022-09-04T14:36:00.790128Z",
"updated_at": "2022-09-04T14:36:00.790145Z",
"structure_string": "Mg4 Sn4\n1.0\n5.974944 -0.000000 -0.000000\n-0.000000 5.974944 -0.000000\n-0.000000 -0.000000 5.974944\nMg Sn\n4 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n",
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"formula_full": "Mg4 Sn4",
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"spacegroup": 225
}
]
}