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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3821",
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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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],
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"volume": 161.34701177293567,
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"formula_full": "Sm1 Mg2 Ni9",
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{
"id": "jvasp-94109",
"created_at": "2022-09-04T14:36:15.377880Z",
"updated_at": "2022-09-04T14:36:15.377900Z",
"structure_string": "Mg6 Ni1 Sn1\n1.0\n6.380955 -0.127725 0.000000\n-3.301089 5.462205 0.000000\n0.000000 0.000000 4.807747\nMg Ni Sn\n6 1 1\ndirect\n0.169336 0.817077 0.250000 Mg\n0.682924 0.330666 0.250000 Mg\n0.670438 0.829563 0.250000 Mg\n0.329404 0.639905 0.750000 Mg\n0.860096 0.170597 0.750000 Mg\n0.832673 0.667329 0.750000 Mg\n0.121937 0.378064 0.250000 Ni\n0.333192 0.166809 0.750000 Sn\n",
"nsites": 8,
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"formula_full": "Mg6 Ni1 Sn1",
"formula_reduced": "Mg6NiSn",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-18742",
"created_at": "2022-09-04T14:35:42.454316Z",
"updated_at": "2022-09-04T14:35:42.454341Z",
"structure_string": "Mg1 Ni2 Sn1\n1.0\n3.777742 -0.000000 2.181080\n1.259247 3.561689 2.181080\n-0.000000 -0.000000 4.362161\nMg Ni Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Ni-Sn",
"density": 7.36721084393821,
"density_atomic": 0.06815065137971607,
"volume": 58.69349623253249,
"volume_molar": 8.83651240022101,
"formula_full": "Mg1 Ni2 Sn1",
"formula_reduced": "MgNi2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5170797875,
"spacegroup": 225
},
{
"id": "jvasp-94194",
"created_at": "2022-09-04T14:35:56.831785Z",
"updated_at": "2022-09-04T14:35:56.831812Z",
"structure_string": "Sr1 Mg6 Ni1\n1.0\n7.399760 0.833776 0.000000\n-2.977808 5.157715 0.000000\n0.000000 0.000000 4.872238\nSr Mg Ni\n1 6 1\ndirect\n0.096553 0.798276 0.250000 Sr\n0.613777 0.302307 0.250000 Mg\n0.613777 0.811471 0.250000 Mg\n0.343060 0.184222 0.750000 Mg\n0.343060 0.658840 0.750000 Mg\n0.923775 0.211889 0.750000 Mg\n0.759437 0.629721 0.750000 Mg\n0.306562 0.403281 0.250000 Ni\n",
"nsites": 8,
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"elements": [
"Sr",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Sr",
"density": 2.449459462492862,
"density_atomic": 0.04039383309468866,
"volume": 198.0500335595017,
"volume_molar": 14.908564745225538,
"formula_full": "Sr1 Mg6 Ni1",
"formula_reduced": "SrMg6Ni",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-106298",
"created_at": "2022-09-04T14:37:48.020886Z",
"updated_at": "2022-09-04T14:37:48.020919Z",
"structure_string": "Tb4 Mg2 Ni4\n1.0\n7.344235 -0.000000 0.000000\n0.000000 7.344235 0.000000\n0.000000 -0.000000 3.716879\nTb Mg Ni\n4 2 4\ndirect\n0.671274 0.171275 0.500000 Tb\n0.328725 0.828724 0.500000 Tb\n0.171275 0.328725 0.500000 Tb\n0.828724 0.671274 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.123197 0.623196 0.000000 Ni\n0.876803 0.376803 0.000000 Ni\n0.623196 0.876803 0.000000 Ni\n0.376803 0.123197 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 7.612603716181612,
"density_atomic": 0.04988022995129669,
"volume": 200.48023053951536,
"volume_molar": 12.073201679062123,
"formula_full": "Tb4 Mg2 Ni4",
"formula_reduced": "Tb2MgNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.78165813,
"spacegroup": 127
},
{
"id": "jvasp-93363",
"created_at": "2022-09-04T14:36:32.052521Z",
"updated_at": "2022-09-04T14:36:32.052549Z",
"structure_string": "Tb2 Mg2 Ni2\n1.0\n-3.648422 0.000000 0.000000\n-0.000000 -0.000000 -3.978204\n1.824210 -8.743622 -0.000000\nTb Mg Ni\n2 2 2\ndirect\n0.586865 0.749999 0.173732 Tb\n0.413134 0.250000 0.826268 Tb\n0.796333 0.749999 0.592666 Mg\n0.203666 0.250000 0.407334 Mg\n0.954938 0.749999 0.909877 Ni\n0.045061 0.250000 0.090122 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 6.331026176319618,
"density_atomic": 0.04727894322349537,
"volume": 126.9063898411817,
"volume_molar": 12.737469049450505,
"formula_full": "Tb2 Mg2 Ni2",
"formula_reduced": "TbMgNi",
"formula_anonymous": "ABC",
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"spacegroup": 63
},
{
"id": "jvasp-94106",
"created_at": "2022-09-04T14:36:10.585291Z",
"updated_at": "2022-09-04T14:36:10.585324Z",
"structure_string": "Mg6 Ti1 Ni1\n1.0\n6.248836 -0.142753 0.000000\n-3.248046 5.340274 0.000000\n0.000000 0.000000 4.737939\nMg Ti Ni\n6 1 1\ndirect\n0.175454 0.844163 0.250000 Mg\n0.655836 0.324545 0.250000 Mg\n0.672451 0.827549 0.250000 Mg\n0.319758 0.663778 0.750000 Mg\n0.836223 0.180241 0.750000 Mg\n0.832990 0.667010 0.750000 Mg\n0.308668 0.191332 0.750000 Ti\n0.198620 0.301380 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Ni"
],
"chemical_system": "Mg-Ni-Ti",
"density": 2.688106318884848,
"density_atomic": 0.05131147503475341,
"volume": 155.91054427068363,
"volume_molar": 11.736440544578356,
"formula_full": "Mg6 Ti1 Ni1",
"formula_reduced": "Mg6TiNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94113",
"created_at": "2022-09-04T14:36:21.186100Z",
"updated_at": "2022-09-04T14:36:21.186112Z",
"structure_string": "Mg6 Ti1 Ni1\n1.0\n6.221525 0.195390 0.000000\n-2.941551 5.094914 0.000000\n0.000000 0.000000 4.794493\nMg Ti Ni\n6 1 1\ndirect\n0.646800 0.325431 0.250000 Mg\n0.646800 0.821367 0.250000 Mg\n0.330800 0.167041 0.750000 Mg\n0.330800 0.663759 0.750000 Mg\n0.877240 0.188621 0.750000 Mg\n0.843593 0.671797 0.750000 Mg\n0.145270 0.822633 0.250000 Ti\n0.178694 0.339346 0.250000 Ni\n",
"nsites": 8,
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"elements": [
"Mg",
"Ti",
"Ni"
],
"chemical_system": "Mg-Ni-Ti",
"density": 2.7085786891450936,
"density_atomic": 0.05170225850493497,
"volume": 154.7321186991551,
"volume_molar": 11.64773248624175,
"formula_full": "Mg6 Ti1 Ni1",
"formula_reduced": "Mg6TiNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0043525000000001,
"spacegroup": 38
},
{
"id": "jvasp-99884",
"created_at": "2022-09-04T14:36:36.676465Z",
"updated_at": "2022-09-04T14:36:36.676484Z",
"structure_string": "Tm4 Mg2 Ni4\n1.0\n7.266870 -0.000000 0.000000\n0.000000 7.266870 -0.000000\n-0.000000 0.000000 3.631340\nTm Mg Ni\n4 2 4\ndirect\n0.669077 0.169077 0.500000 Tm\n0.330923 0.830923 0.500000 Tm\n0.169077 0.330923 0.500000 Tm\n0.830923 0.669077 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.125126 0.625126 0.000000 Ni\n0.874874 0.374874 0.000000 Ni\n0.625126 0.874874 0.000000 Ni\n0.374874 0.125126 0.000000 Ni\n",
"nsites": 10,
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"elements": [
"Tm",
"Mg",
"Ni"
],
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"density": 8.305399901335955,
"density_atomic": 0.05214807776510298,
"volume": 191.76162245220684,
"volume_molar": 11.54815482773166,
"formula_full": "Tm4 Mg2 Ni4",
"formula_reduced": "Tm2MgNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7407864699999999,
"spacegroup": 127
},
{
"id": "jvasp-94111",
"created_at": "2022-09-04T14:36:17.438696Z",
"updated_at": "2022-09-04T14:36:17.438723Z",
"structure_string": "Mg6 V1 Ni1\n1.0\n6.184466 -0.165438 0.000000\n-3.235507 5.273185 0.000000\n0.000000 0.000000 4.682208\nMg V Ni\n6 1 1\ndirect\n0.176899 0.848332 0.250000 Mg\n0.651669 0.323101 0.250000 Mg\n0.672926 0.827075 0.250000 Mg\n0.321498 0.661520 0.750000 Mg\n0.838480 0.178502 0.750000 Mg\n0.831589 0.668411 0.750000 Mg\n0.307549 0.192451 0.750000 V\n0.199391 0.300609 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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"V",
"Ni"
],
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"density": 2.8245019523275414,
"density_atomic": 0.0532661773564647,
"volume": 150.18911431287592,
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"formula_full": "Mg6 V1 Ni1",
"formula_reduced": "Mg6VNi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94124",
"created_at": "2022-09-04T14:35:56.295372Z",
"updated_at": "2022-09-04T14:35:56.295401Z",
"structure_string": "Mg6 V1 Ni1\n1.0\n6.104857 0.141998 0.000000\n-2.929454 5.073964 0.000000\n0.000000 0.000000 4.728739\nMg V Ni\n6 1 1\ndirect\n0.651382 0.327085 0.250000 Mg\n0.651382 0.824295 0.250000 Mg\n0.328274 0.162716 0.750000 Mg\n0.328274 0.665558 0.750000 Mg\n0.872176 0.186088 0.750000 Mg\n0.850883 0.675441 0.750000 Mg\n0.147843 0.823920 0.250000 V\n0.169790 0.334894 0.250000 Ni\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.8577139531124933,
"density_atomic": 0.05389250948652978,
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"formula_full": "Mg6 V1 Ni1",
"formula_reduced": "Mg6VNi",
"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-94097",
"created_at": "2022-09-04T14:35:51.000764Z",
"updated_at": "2022-09-04T14:35:51.000781Z",
"structure_string": "Mg6 Ni1 W1\n1.0\n6.136312 -0.166949 0.000000\n-3.212739 5.230727 0.000000\n0.000000 0.000000 4.702060\nMg Ni W\n6 1 1\ndirect\n0.177174 0.846957 0.250000 Mg\n0.653043 0.322826 0.250000 Mg\n0.673971 0.826029 0.250000 Mg\n0.321924 0.666534 0.750000 Mg\n0.833466 0.178076 0.750000 Mg\n0.829717 0.670283 0.750000 Mg\n0.199780 0.300220 0.250000 Ni\n0.310925 0.189075 0.750000 W\n",
"nsites": 8,
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],
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"formula_full": "Mg6 Ni1 W1",
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"formula_anonymous": "ABC6",
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}
]
}