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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3811",
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"results": [
{
"id": "jvasp-97312",
"created_at": "2022-09-04T14:36:21.751257Z",
"updated_at": "2022-09-04T14:36:21.751285Z",
"structure_string": "Na8 Sr4 Mg4 P8 O32\n1.0\n9.077134 0.000000 -0.007015\n0.000000 5.317573 0.000000\n-0.007695 0.000000 13.526570\nNa Sr Mg P O\n8 4 4 8 32\ndirect\n0.082372 0.224204 0.910542 Na\n0.917629 0.724204 0.589458 Na\n0.917628 0.775795 0.089458 Na\n0.082371 0.275796 0.410542 Na\n0.417668 0.224209 0.589483 Na\n0.582332 0.724209 0.910517 Na\n0.582332 0.775790 0.410517 Na\n0.417668 0.275790 0.089483 Na\n0.750028 0.310327 0.249994 Sr\n0.249972 0.810327 0.250006 Sr\n0.249972 0.689672 0.750006 Sr\n0.750028 0.189672 0.749994 Sr\n0.750003 0.249988 0.499990 Mg\n0.249997 0.749987 0.000010 Mg\n0.249997 0.750012 0.500010 Mg\n0.750003 0.250012 -0.000010 Mg\n0.417584 0.271222 0.367353 P\n0.582416 0.771222 0.132646 P\n0.582416 0.728777 0.632646 P\n0.417584 0.228778 0.867353 P\n0.082404 0.271212 0.132658 P\n0.917596 0.771212 0.367342 P\n0.917596 0.728787 0.867342 P\n0.082404 0.228788 0.632658 P\n0.645653 0.963679 0.577905 O\n0.645653 0.536320 0.077905 O\n0.354347 0.036321 0.422094 O\n0.424205 0.283999 0.756321 O\n0.575795 0.783999 0.743679 O\n0.575795 0.716001 0.243679 O\n0.574070 0.176738 0.909418 O\n0.354347 0.463679 0.922094 O\n0.425930 0.676738 0.590582 O\n0.425930 0.823261 0.090582 O\n0.574070 0.323262 0.409418 O\n0.682369 0.497809 0.610168 O\n0.317632 0.997808 0.889831 O\n0.424205 0.216001 0.256321 O\n0.145639 0.036284 0.077935 O\n0.074064 0.823258 0.409444 O\n0.854361 0.963716 0.922065 O\n0.145639 0.463716 0.577935 O\n0.182380 0.502160 0.110193 O\n0.817620 0.002160 0.389807 O\n0.817620 0.497840 0.889807 O\n0.182380 0.997839 0.610193 O\n0.075717 0.216031 0.243693 O\n0.924283 0.716031 0.256307 O\n0.924283 0.783968 0.756307 O\n0.075717 0.283969 0.743693 O\n0.317631 0.502191 0.389831 O\n0.925936 0.323258 0.090555 O\n0.925936 0.176742 0.590555 O\n0.074064 0.676741 0.909444 O\n0.854361 0.536284 0.422065 O\n0.682368 0.002191 0.110168 O\n",
"nsites": 56,
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"elements": [
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"Sr",
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],
"chemical_system": "Mg-Na-O-P-Sr",
"density": 3.5387344826992098,
"density_atomic": 0.08577057592648647,
"volume": 652.9045584117019,
"volume_molar": 7.021219917144484,
"formula_full": "Na8 Sr4 Mg4 P8 O32",
"formula_reduced": "Na2SrMg(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.780484454285714,
"spacegroup": 15
},
{
"id": "jvasp-9790",
"created_at": "2022-09-04T14:36:49.402138Z",
"updated_at": "2022-09-04T14:36:49.402161Z",
"structure_string": "Na4 Mg2 Si2 O8\n1.0\n0.000000 5.293648 0.000975\n5.535386 0.000000 0.000000\n0.000000 -5.272587 -7.017876\nNa Mg Si O\n4 2 2 8\ndirect\n0.737581 0.329696 0.249670 Na\n0.485782 0.183288 0.494481 Na\n0.737581 0.670305 0.749671 Na\n0.485782 0.816712 0.994482 Na\n0.001101 0.184900 0.000206 Mg\n0.001101 0.815101 0.500206 Mg\n0.252751 0.313919 0.747666 Si\n0.252751 0.686082 0.247666 Si\n0.303965 0.789947 0.441191 O\n0.303965 0.210054 0.941191 O\n0.980007 0.843764 0.055852 O\n0.980007 0.156237 0.555852 O\n0.590452 0.288581 0.776676 O\n0.147840 0.602459 0.717808 O\n0.147840 0.397542 0.217807 O\n0.590452 0.711419 0.276676 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-Na-O-Si",
"density": 2.6225876254185243,
"density_atomic": 0.07781645151081606,
"volume": 205.6120484725018,
"volume_molar": 7.738904361583431,
"formula_full": "Na4 Mg2 Si2 O8",
"formula_reduced": "Na2MgSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.19859620625,
"spacegroup": 7
},
{
"id": "jvasp-40812",
"created_at": "2022-09-04T14:38:01.439323Z",
"updated_at": "2022-09-04T14:38:01.439341Z",
"structure_string": "Na1 Mg1 P1\n1.0\n3.870415 0.000000 2.234585\n1.290138 3.649062 2.234585\n0.000000 0.000000 4.469170\nNa Mg P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Mg",
"P"
],
"chemical_system": "Mg-Na-P",
"density": 2.0590677208322594,
"density_atomic": 0.04752866363040341,
"volume": 63.11980541529349,
"volume_molar": 12.670545098490257,
"formula_full": "Na1 Mg1 P1",
"formula_reduced": "NaMgP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.41682785,
"spacegroup": 216
},
{
"id": "jvasp-91734",
"created_at": "2022-09-04T14:35:49.360265Z",
"updated_at": "2022-09-04T14:35:49.360297Z",
"structure_string": "Na4 Mg2 Pb2\n1.0\n-2.560589 -4.434920 0.000000\n-2.560589 4.434920 -0.000000\n0.000000 0.000000 -10.116342\nNa Mg Pb\n4 2 2\ndirect\n0.666675 0.333326 0.078895 Na\n0.333326 0.666675 0.921104 Na\n0.333326 0.666675 0.578895 Na\n0.666675 0.333326 0.421105 Na\n-0.000012 0.000012 0.750000 Mg\n0.000012 -0.000012 0.250000 Mg\n0.666655 0.333346 0.750000 Pb\n0.333346 0.666655 0.250000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Pb"
],
"chemical_system": "Mg-Na-Pb",
"density": 4.010871221002233,
"density_atomic": 0.03481856134659244,
"volume": 229.76250857598774,
"volume_molar": 17.29577710019132,
"formula_full": "Na4 Mg2 Pb2",
"formula_reduced": "Na2MgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-41306",
"created_at": "2022-09-04T14:37:41.010720Z",
"updated_at": "2022-09-04T14:37:41.010742Z",
"structure_string": "Na1 Mg1 Pb2\n1.0\n0.000000 3.762868 3.762868\n3.762868 0.000000 3.762868\n3.762868 3.762868 0.000000\nNa Mg Pb\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Mg",
"Pb"
],
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"density": 7.194773145604011,
"density_atomic": 0.03753816548681047,
"volume": 106.55821743354647,
"volume_molar": 16.04271461298757,
"formula_full": "Na1 Mg1 Pb2",
"formula_reduced": "NaMgPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2529",
"created_at": "2022-09-04T14:36:33.934310Z",
"updated_at": "2022-09-04T14:36:33.934330Z",
"structure_string": "Na2 Mg2 Sb2\n1.0\n4.632967 0.000000 0.000000\n0.000000 4.632967 0.000000\n0.000000 0.000000 7.652503\nNa Mg Sb\n2 2 2\ndirect\n0.000000 0.500000 0.359464 Na\n0.500000 0.000000 0.640536 Na\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.771851 Sb\n0.500000 0.000000 0.228148 Sb\n",
"nsites": 6,
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"elements": [
"Na",
"Mg",
"Sb"
],
"chemical_system": "Mg-Na-Sb",
"density": 3.4180986940557596,
"density_atomic": 0.036528288841463634,
"volume": 164.25625700783823,
"volume_molar": 16.48623834019897,
"formula_full": "Na2 Mg2 Sb2",
"formula_reduced": "NaMgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-93143",
"created_at": "2022-09-04T14:35:53.949142Z",
"updated_at": "2022-09-04T14:35:53.949166Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.364231 0.030546 0.000000\n-3.155662 5.465766 0.000000\n0.000000 0.000000 5.079176\nNa Mg Si\n1 6 1\ndirect\n0.166890 0.833444 0.250000 Na\n0.667780 0.336373 0.250000 Mg\n0.667780 0.831408 0.250000 Mg\n0.327964 0.171430 0.750001 Mg\n0.327964 0.656536 0.750001 Mg\n0.835876 0.167939 0.750001 Mg\n0.827371 0.663687 0.750001 Mg\n0.178378 0.339188 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.8455015200632234,
"density_atomic": 0.04515417985956059,
"volume": 177.17075196320152,
"volume_molar": 13.336840085968074,
"formula_full": "Na1 Mg6 Si1",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00016,
"spacegroup": 38
},
{
"id": "jvasp-93144",
"created_at": "2022-09-04T14:35:57.301131Z",
"updated_at": "2022-09-04T14:35:57.301164Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.358379 0.007213 0.000000\n-3.172943 5.510124 0.000000\n0.000000 0.000000 5.053760\nNa Mg Si\n1 6 1\ndirect\n0.328767 0.171233 0.750000 Na\n0.164221 0.825831 0.250000 Mg\n0.674169 0.335778 0.250000 Mg\n0.668883 0.831117 0.250000 Mg\n0.328743 0.659034 0.750000 Mg\n0.840965 0.171256 0.750000 Mg\n0.835526 0.664473 0.750000 Mg\n0.158726 0.341274 0.250000 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.845442143683267,
"density_atomic": 0.04515272708820776,
"volume": 177.17645236292512,
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"formula_full": "Na1 Mg6 Si1",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-39645",
"created_at": "2022-09-04T14:37:41.478733Z",
"updated_at": "2022-09-04T14:37:41.478760Z",
"structure_string": "Na4 Mg2 Sn2\n1.0\n2.527550 -4.377845 -0.000000\n2.527550 4.377845 0.000000\n-0.000000 -0.000000 10.013912\nNa Mg Sn\n4 2 2\ndirect\n0.666667 0.333333 0.079121 Na\n0.666667 0.333333 0.420879 Na\n0.333333 0.666667 0.579121 Na\n0.333333 0.666667 0.920879 Na\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.83226864608988,
"density_atomic": 0.0360990758626971,
"volume": 221.61232133553816,
"volume_molar": 16.682257415412025,
"formula_full": "Na4 Mg2 Sn2",
"formula_reduced": "Na2MgSn",
"formula_anonymous": "ABC2",
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"spacegroup": 194
},
{
"id": "jvasp-93086",
"created_at": "2022-09-04T14:35:48.465203Z",
"updated_at": "2022-09-04T14:35:48.465217Z",
"structure_string": "Na1 Sr1 Mg6\n1.0\n7.065786 -0.196899 0.000000\n-3.703413 6.020700 0.000000\n0.000000 0.000000 5.316373\nNa Sr Mg\n1 1 6\ndirect\n0.148281 0.351720 0.250000 Na\n0.315613 0.184387 0.750000 Sr\n0.176309 0.825989 0.250000 Mg\n0.674012 0.323692 0.250000 Mg\n0.689698 0.810303 0.250000 Mg\n0.335421 0.693833 0.750000 Mg\n0.806167 0.164579 0.750000 Mg\n0.854504 0.645497 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
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"density": 1.9156685981370511,
"density_atomic": 0.03598950656950128,
"volume": 222.28701537073783,
"volume_molar": 16.733046196035836,
"formula_full": "Na1 Sr1 Mg6",
"formula_reduced": "NaSrMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-81204",
"created_at": "2022-09-04T14:37:09.827043Z",
"updated_at": "2022-09-04T14:37:09.827065Z",
"structure_string": "Na1 Sr2 Mg1\n1.0\n-14.240648 3.517406 -2.477941\n-10.376301 0.817879 1.349223\n-8.642982 5.720443 -1.652972\nNa Sr Mg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.749932 -0.000015 -0.000014 Sr\n0.250067 0.000015 0.000015 Sr\n0.499999 0.000000 0.000001 Mg\n",
"nsites": 4,
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],
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"formula_full": "Na1 Sr2 Mg1",
"formula_reduced": "NaSr2Mg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-80817",
"created_at": "2022-09-04T14:37:15.692993Z",
"updated_at": "2022-09-04T14:37:15.693014Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-11.057629 0.001389 -6.385259\n-3.955147 -0.213656 -5.918251\n-4.903241 -2.895150 -4.276203\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.729823 0.000012 -0.000012 Mg\n0.270177 -0.000012 0.000012 Mg\n0.500000 0.000000 -0.000000 Tl\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.03541348157076516,
"volume": 112.95133442350142,
"volume_molar": 17.005220873203974,
"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
}
]
}