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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3818",
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"results": [
{
"id": "jvasp-94744",
"created_at": "2022-09-04T14:35:55.262220Z",
"updated_at": "2022-09-04T14:35:55.262258Z",
"structure_string": "Mg6 Nb1 Al1\n1.0\n6.257645 0.164594 0.000000\n-2.986279 5.172388 0.000000\n0.000000 0.000000 4.952821\nMg Nb Al\n6 1 1\ndirect\n0.656366 0.328572 0.250000 Mg\n0.656366 0.827795 0.250000 Mg\n0.335325 0.158641 0.750000 Mg\n0.335325 0.676684 0.750000 Mg\n0.851435 0.175718 0.750000 Mg\n0.849579 0.674790 0.750000 Mg\n0.152396 0.826199 0.250000 Nb\n0.163208 0.331602 0.250000 Al\n",
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{
"id": "jvasp-91514",
"created_at": "2022-09-04T14:35:55.622303Z",
"updated_at": "2022-09-04T14:35:55.622335Z",
"structure_string": "Dy2 Sn6\n1.0\n4.421200 0.000000 0.000000\n0.000000 4.449504 0.000000\n0.000000 -2.224752 11.065678\nDy Sn\n2 6\ndirect\n0.500000 0.482277 0.964553 Dy\n0.000000 0.209528 0.419058 Dy\n0.500000 0.098210 0.196423 Sn\n0.500000 0.734558 0.469119 Sn\n0.500000 0.868880 0.737762 Sn\n0.000000 0.975744 0.951490 Sn\n0.000000 0.358580 0.717160 Sn\n0.000000 0.598218 0.196437 Sn\n",
"nsites": 8,
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{
"id": "jvasp-93164",
"created_at": "2022-09-04T14:35:55.641931Z",
"updated_at": "2022-09-04T14:35:55.641952Z",
"structure_string": "Na1 Li1 Mg6\n1.0\n6.518276 0.058733 0.000000\n-3.208274 5.556893 0.000000\n0.000000 0.000000 5.171181\nNa Li Mg\n1 1 6\ndirect\n0.162594 0.831295 0.250000 Na\n0.165604 0.332801 0.250000 Li\n0.662339 0.331179 0.250000 Mg\n0.662339 0.831158 0.250000 Mg\n0.337347 0.174937 0.750000 Mg\n0.337347 0.662409 0.750000 Mg\n0.842318 0.171159 0.750000 Mg\n0.830115 0.665057 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"Li",
"Mg"
],
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"density": 1.5501120180089807,
"density_atomic": 0.04248953987939083,
"volume": 188.28163408472983,
"volume_molar": 14.173231287263212,
"formula_full": "Na1 Li1 Mg6",
"formula_reduced": "NaLiMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0002449999999999,
"spacegroup": 38
},
{
"id": "jvasp-92904",
"created_at": "2022-09-04T14:35:55.703474Z",
"updated_at": "2022-09-04T14:35:55.703504Z",
"structure_string": "Hf1 Mg6 Mo1\n1.0\n6.325007 0.315658 0.000000\n-2.889135 5.004129 0.000000\n0.000000 0.000000 5.022970\nHf Mg Mo\n1 6 1\ndirect\n0.150447 0.825223 0.250000 Hf\n0.650305 0.325368 0.250000 Mg\n0.650304 0.824936 0.250000 Mg\n0.332374 0.172779 0.750000 Mg\n0.332374 0.659596 0.750000 Mg\n0.878683 0.189342 0.750000 Mg\n0.849253 0.674627 0.750000 Mg\n0.156260 0.328129 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Mo"
],
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"density": 4.266585298519498,
"density_atomic": 0.04891063102100667,
"volume": 163.56362273396294,
"volume_molar": 12.312539491493261,
"formula_full": "Hf1 Mg6 Mo1",
"formula_reduced": "HfMg6Mo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.95596665,
"spacegroup": 38
},
{
"id": "jvasp-94148",
"created_at": "2022-09-04T14:35:56.133924Z",
"updated_at": "2022-09-04T14:35:56.133942Z",
"structure_string": "Mg6 Cu1 Sb1\n1.0\n6.479614 -0.200422 0.000000\n-3.413378 5.511298 0.000000\n0.000000 0.000000 4.964528\nMg Cu Sb\n6 1 1\ndirect\n0.168160 0.826245 0.250000 Mg\n0.673755 0.331840 0.250000 Mg\n0.670893 0.829108 0.250000 Mg\n0.336121 0.638456 0.750000 Mg\n0.861544 0.163879 0.750000 Mg\n0.834184 0.665817 0.750000 Mg\n0.108652 0.391348 0.250000 Cu\n0.346690 0.153310 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"Cu",
"Sb"
],
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"density": 3.162095559510405,
"density_atomic": 0.04600547101498678,
"volume": 173.892361571386,
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"formula_full": "Mg6 Cu1 Sb1",
"formula_reduced": "Mg6CuSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-85815",
"created_at": "2022-09-04T14:35:56.048692Z",
"updated_at": "2022-09-04T14:35:56.048712Z",
"structure_string": "Fe6 O8\n1.0\n1.249173 3.331479 3.494752\n-4.674650 0.227976 3.411152\n3.817424 -4.287668 0.765956\nFe O\n6 8\ndirect\n0.325688 0.604193 0.717549 Fe\n0.325699 0.104178 0.217556 Fe\n0.827657 0.355171 0.966565 Fe\n0.827653 0.855173 0.466556 Fe\n0.316451 0.609479 0.211656 Fe\n0.316452 0.109482 0.711660 Fe\n0.104526 0.965473 0.355718 O\n0.567228 0.227433 0.594130 O\n0.567233 0.727422 0.094121 O\n0.104532 0.465474 0.855719 O\n0.527459 0.753951 0.567116 O\n0.527457 0.253949 0.067117 O\n0.080981 0.984314 0.837266 O\n0.080982 0.484312 0.337266 O\n",
"nsites": 14,
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"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.461050530327603,
"density_atomic": 0.09942898106672414,
"volume": 140.8040175993051,
"volume_molar": 6.05672581111809,
"formula_full": "Fe6 O8",
"formula_reduced": "Fe3O4",
"formula_anonymous": "A3B4",
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"spacegroup": 38
},
{
"id": "jvasp-94770",
"created_at": "2022-09-04T14:35:56.264042Z",
"updated_at": "2022-09-04T14:35:56.264079Z",
"structure_string": "Mg6 Al1 Cr1\n1.0\n6.215806 0.004033 0.000000\n-3.104410 5.385062 0.000000\n0.000000 0.000000 4.891166\nMg Al Cr\n6 1 1\ndirect\n0.171021 0.842709 0.250000 Mg\n0.657291 0.328979 0.250000 Mg\n0.668114 0.831885 0.250000 Mg\n0.330677 0.662323 0.750001 Mg\n0.837677 0.169323 0.750001 Mg\n0.833627 0.666372 0.750001 Mg\n0.175893 0.324106 0.250000 Al\n0.325703 0.174297 0.750001 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Mg",
"density": 2.279277409034602,
"density_atomic": 0.04884577580554837,
"volume": 163.78079512642898,
"volume_molar": 12.328887525450968,
"formula_full": "Mg6 Al1 Cr1",
"formula_reduced": "Mg6AlCr",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2157168124999999,
"spacegroup": 38
},
{
"id": "jvasp-92881",
"created_at": "2022-09-04T14:35:56.238530Z",
"updated_at": "2022-09-04T14:35:56.238557Z",
"structure_string": "Mg6 Nb1 Mo1\n1.0\n6.222983 0.298185 0.000000\n-2.853256 4.941983 0.000000\n0.000000 0.000000 4.970856\nMg Nb Mo\n6 1 1\ndirect\n0.650212 0.324919 0.250000 Mg\n0.650212 0.825290 0.250000 Mg\n0.330574 0.162725 0.750001 Mg\n0.330573 0.667848 0.750001 Mg\n0.861897 0.180948 0.750001 Mg\n0.873012 0.686506 0.750001 Mg\n0.151504 0.325751 0.250000 Nb\n0.152011 0.826005 0.250000 Mo\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mg-Mo-Nb",
"density": 3.5374609827189474,
"density_atomic": 0.050922238320620816,
"volume": 157.10228504940685,
"volume_molar": 11.826150928564644,
"formula_full": "Mg6 Nb1 Mo1",
"formula_reduced": "Mg6NbMo",
"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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"V",
"Ni"
],
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"density": 2.8577139531124933,
"density_atomic": 0.05389250948652978,
"volume": 148.44363486171613,
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"formula_full": "Mg6 V1 Ni1",
"formula_reduced": "Mg6VNi",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
"updated_at": "2022-09-04T14:35:56.305761Z",
"structure_string": "Rb1 Mg6 Fe1\n1.0\n8.333731 0.337389 0.000000\n-3.874654 6.710679 0.000000\n0.000000 0.000000 4.008049\nRb Mg Fe\n1 6 1\ndirect\n0.073404 0.786688 0.250000 Rb\n0.628431 0.261965 0.250000 Mg\n0.628422 0.866474 0.250000 Mg\n0.316520 0.218881 0.750000 Mg\n0.316518 0.597630 0.750000 Mg\n0.918100 0.209047 0.750000 Mg\n0.672143 0.586082 0.750000 Mg\n0.446460 0.473231 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"Fe"
],
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"density_atomic": 0.03487514922758951,
"volume": 229.38969946173737,
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93091",
"created_at": "2022-09-04T14:35:56.311122Z",
"updated_at": "2022-09-04T14:35:56.311147Z",
"structure_string": "Mg6 Si1 B1\n1.0\n6.163209 0.921959 0.000000\n-2.283165 5.798474 0.000000\n0.000000 0.000000 4.011434\nMg Si B\n6 1 1\ndirect\n0.186769 0.941767 0.250000 Mg\n0.558233 0.313231 0.250000 Mg\n0.629606 0.870394 0.250000 Mg\n0.336241 0.600470 0.749999 Mg\n0.899530 0.163759 0.749999 Mg\n0.856011 0.643989 0.749999 Mg\n0.048614 0.451386 0.250000 Si\n0.485002 0.014998 0.749999 B\n",
"nsites": 8,
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"elements": [
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],
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"formula_full": "Mg6 Si1 B1",
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},
{
"id": "jvasp-92858",
"created_at": "2022-09-04T14:35:56.309976Z",
"updated_at": "2022-09-04T14:35:56.310009Z",
"structure_string": "Mg6 Nb1 Sb1\n1.0\n6.243467 0.152506 0.000000\n-2.989660 5.178242 0.000000\n0.000000 0.000000 5.224658\nMg Nb Sb\n6 1 1\ndirect\n0.661878 0.328707 0.250000 Mg\n0.661878 0.833169 0.250000 Mg\n0.337381 0.180125 0.750000 Mg\n0.337381 0.657255 0.750000 Mg\n0.849567 0.174784 0.750000 Mg\n0.830605 0.665302 0.750000 Mg\n0.161356 0.330676 0.250000 Nb\n0.159957 0.829978 0.250000 Sb\n",
"nsites": 8,
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"density": 3.494636908037291,
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"formula_full": "Mg6 Nb1 Sb1",
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"spacegroup": 38
}
]
}