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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=890",
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"results": [
{
"id": "jvasp-116399",
"created_at": "2022-09-04T14:38:48.091284Z",
"updated_at": "2022-09-04T14:38:48.091304Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n5.090237 0.000000 0.000000\n-2.545119 4.408275 -0.000000\n-0.000000 0.000000 3.681930\nSr Pb O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666666 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.247050332918617,
"density_atomic": 0.036311069823159355,
"volume": 82.61943298863056,
"volume_molar": 16.58486183229736,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
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"spacegroup": 187
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{
"id": "jvasp-116400",
"created_at": "2022-09-04T14:38:48.117062Z",
"updated_at": "2022-09-04T14:38:48.117079Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.789750 -0.000000 0.000000\n0.000000 3.789750 0.000000\n0.000000 0.000000 7.543884\nSr Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.011593 Sr\n0.000000 0.000000 0.567509 Pb\n0.000000 0.000000 0.294684 O\n",
"nsites": 3,
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"elements": [
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"density": 4.763663657808955,
"density_atomic": 0.027688863459490405,
"volume": 108.34680897571276,
"volume_molar": 21.749324484952457,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-101758",
"created_at": "2022-09-04T14:36:56.364943Z",
"updated_at": "2022-09-04T14:36:56.364968Z",
"structure_string": "Sr1 Pb2 N2\n1.0\n3.606565 -0.000000 -0.000001\n-1.803282 3.123377 -0.000000\n0.000000 0.000000 9.307627\nSr Pb N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Sr\n0.666666 0.333334 0.188033 Pb\n0.333334 0.666667 0.811968 Pb\n0.666666 0.333334 0.673592 N\n0.333334 0.666667 0.326408 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"N"
],
"chemical_system": "N-Pb-Sr",
"density": 8.394506940851882,
"density_atomic": 0.04768841211334703,
"volume": 104.84727375941712,
"volume_molar": 12.628100817629287,
"formula_full": "Sr1 Pb2 N2",
"formula_reduced": "Sr(PbN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.12470689,
"spacegroup": 164
},
{
"id": "jvasp-101111",
"created_at": "2022-09-04T14:36:37.601899Z",
"updated_at": "2022-09-04T14:36:37.601928Z",
"structure_string": "Sr1 Pb3 S4\n1.0\n4.209426 0.006130 13.442073\n2.060603 3.670589 13.442073\n0.010453 0.006130 14.085755\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249706 0.249706 0.249706 Pb\n0.499999 0.500000 0.500000 Pb\n0.750293 0.750294 0.750294 Pb\n0.125165 0.125165 0.125165 S\n0.374486 0.374487 0.374487 S\n0.625513 0.625513 0.625513 S\n0.874834 0.874835 0.874835 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sr",
"density": 6.4154049185443585,
"density_atomic": 0.03690545108202867,
"volume": 216.7701454784724,
"volume_molar": 16.31775410796298,
"formula_full": "Sr1 Pb3 S4",
"formula_reduced": "SrPb3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.99519859625,
"spacegroup": 166
},
{
"id": "jvasp-17986",
"created_at": "2022-09-04T14:38:14.142161Z",
"updated_at": "2022-09-04T14:38:14.142183Z",
"structure_string": "Sr1 Pb3\n1.0\n5.011463 0.000000 0.000000\n0.000000 5.011463 0.000000\n0.000000 0.000000 5.012549\nSr Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Pb"
],
"chemical_system": "Pb-Sr",
"density": 9.354969675020369,
"density_atomic": 0.03177403017849072,
"volume": 125.88897214265823,
"volume_molar": 18.95302775937017,
"formula_full": "Sr1 Pb3",
"formula_reduced": "SrPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.15074041,
"spacegroup": 221
},
{
"id": "jvasp-17967",
"created_at": "2022-09-04T14:38:14.099778Z",
"updated_at": "2022-09-04T14:38:14.099805Z",
"structure_string": "Sr2 Pb2\n1.0\n4.669600 -0.000000 0.000000\n0.000000 4.683063 -1.921472\n-0.000000 -0.016458 6.627468\nSr Pb\n2 2\ndirect\n0.250000 0.867064 0.734131 Sr\n0.750000 0.132935 0.265870 Sr\n0.250000 0.586034 0.172069 Pb\n0.750000 0.413965 0.827931 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Pb"
],
"chemical_system": "Pb-Sr",
"density": 6.762720601556639,
"density_atomic": 0.027627742620717734,
"volume": 144.78200607676303,
"volume_molar": 21.79744050273606,
"formula_full": "Sr2 Pb2",
"formula_reduced": "SrPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-100292",
"created_at": "2022-09-04T14:36:36.713359Z",
"updated_at": "2022-09-04T14:36:36.713386Z",
"structure_string": "Sr2 P2 Au2\n1.0\n4.379274 0.000000 -0.000000\n-2.189637 3.792563 0.000000\n0.000000 -0.000000 8.440107\nSr P Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333332 0.666667 0.250000 P\n0.666666 0.333333 0.750000 P\n0.333332 0.666667 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"P",
"Au"
],
"chemical_system": "Au-P-Sr",
"density": 7.476160581537597,
"density_atomic": 0.0428024250443016,
"volume": 140.17897335933296,
"volume_molar": 14.06962515270322,
"formula_full": "Sr2 P2 Au2",
"formula_reduced": "SrPAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5094497933333333,
"spacegroup": 194
},
{
"id": "jvasp-27534",
"created_at": "2022-09-04T14:38:35.911788Z",
"updated_at": "2022-09-04T14:38:35.911811Z",
"structure_string": "Sr2 P12 Pt8\n1.0\n5.814618 0.000806 0.050244\n0.192227 5.811440 0.050244\n-0.007541 -0.007296 11.588201\nSr P Pt\n2 12 8\ndirect\n0.597912 0.402089 0.250000 Sr\n0.402089 0.597912 0.750000 Sr\n0.129821 0.089453 0.305365 P\n0.608863 0.116376 0.948766 P\n0.116376 0.608862 0.448766 P\n0.391138 0.883625 0.051233 P\n0.615779 0.885576 0.446900 P\n0.883625 0.391138 0.551233 P\n0.384222 0.114425 0.553099 P\n0.885576 0.615778 0.946900 P\n0.089454 0.129820 0.805365 P\n0.870180 0.910547 0.694635 P\n0.910547 0.870180 0.194635 P\n0.114425 0.384222 0.053099 P\n0.506706 0.922687 0.249781 Pt\n0.922687 0.506706 0.749781 Pt\n0.493295 0.077313 0.750218 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 -0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.077314 0.493295 0.250218 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sr",
"density": 8.93743705778744,
"density_atomic": 0.05618223063568522,
"volume": 391.58288574655273,
"volume_molar": 10.7189420780579,
"formula_full": "Sr2 P12 Pt8",
"formula_reduced": "Sr(P3Pt2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.9816522645454544,
"spacegroup": 15
},
{
"id": "jvasp-45322",
"created_at": "2022-09-04T14:36:47.947134Z",
"updated_at": "2022-09-04T14:36:47.947157Z",
"structure_string": "Sr2 P12 Pt8\n1.0\n5.814618 0.000806 0.050244\n0.192227 5.811440 0.050244\n-0.007541 -0.007296 11.588201\nSr P Pt\n2 12 8\ndirect\n0.597912 0.402089 0.250000 Sr\n0.402089 0.597912 0.750000 Sr\n0.129821 0.089453 0.305365 P\n0.608863 0.116376 0.948766 P\n0.116376 0.608862 0.448766 P\n0.391138 0.883625 0.051233 P\n0.615779 0.885576 0.446900 P\n0.883625 0.391138 0.551233 P\n0.384222 0.114425 0.553099 P\n0.885576 0.615778 0.946900 P\n0.089454 0.129820 0.805365 P\n0.870180 0.910547 0.694635 P\n0.910547 0.870180 0.194635 P\n0.114425 0.384222 0.053099 P\n0.506706 0.922687 0.249781 Pt\n0.922687 0.506706 0.749781 Pt\n0.493295 0.077313 0.750218 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.000000 -0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.077314 0.493295 0.250218 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sr",
"density": 8.93743705778744,
"density_atomic": 0.05618223063568522,
"volume": 391.58288574655273,
"volume_molar": 10.7189420780579,
"formula_full": "Sr2 P12 Pt8",
"formula_reduced": "Sr(P3Pt2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.9816522645454544,
"spacegroup": 15
},
{
"id": "jvasp-7695",
"created_at": "2022-09-04T14:36:43.786631Z",
"updated_at": "2022-09-04T14:36:43.786650Z",
"structure_string": "Sr2 P6\n1.0\n5.435840 -0.006452 1.776719\n1.488567 5.547171 1.340267\n-0.007643 -0.007316 5.897723\nSr P\n2 6\ndirect\n0.147978 0.662719 0.662719 Sr\n0.852023 0.337281 0.337281 Sr\n0.305554 0.991041 0.991042 P\n0.694447 0.008958 0.008958 P\n0.681330 0.396906 0.883167 P\n0.318672 0.116832 0.603093 P\n0.318672 0.603094 0.116832 P\n0.681330 0.883168 0.396906 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "P-Sr",
"density": 3.3684326279660453,
"density_atomic": 0.04494301748398615,
"volume": 178.00317931145847,
"volume_molar": 13.399502519264033,
"formula_full": "Sr2 P6",
"formula_reduced": "SrP3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9033907025000003,
"spacegroup": 12
},
{
"id": "jvasp-56342",
"created_at": "2022-09-04T14:37:33.475634Z",
"updated_at": "2022-09-04T14:37:33.475660Z",
"structure_string": "Sr4 P12\n1.0\n6.720868 -0.006347 1.339519\n2.598656 6.198154 1.339519\n0.002508 0.001666 8.613095\nSr P\n4 12\ndirect\n0.042042 0.042042 0.259377 Sr\n0.707045 0.707044 0.225149 Sr\n0.292956 0.292956 0.774851 Sr\n0.957959 0.957958 0.740623 Sr\n0.359969 0.837658 0.977399 P\n0.094624 0.605141 0.487618 P\n0.324993 0.324993 0.161601 P\n0.394860 0.905376 0.512382 P\n0.418931 0.418930 0.365170 P\n0.675008 0.675007 0.838398 P\n0.605142 0.094624 0.487618 P\n0.581071 0.581070 0.634829 P\n0.640033 0.162342 0.022600 P\n0.905377 0.394859 0.512382 P\n0.837659 0.359968 0.977399 P\n0.162343 0.640032 0.022600 P\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "P-Sr",
"density": 3.3412047213671223,
"density_atomic": 0.04457973152357594,
"volume": 358.90750018398876,
"volume_molar": 13.508696787048164,
"formula_full": "Sr4 P12",
"formula_reduced": "SrP3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9033982025000005,
"spacegroup": 12
},
{
"id": "jvasp-10190",
"created_at": "2022-09-04T14:37:11.095679Z",
"updated_at": "2022-09-04T14:37:11.095698Z",
"structure_string": "Sr6 P6\n1.0\n4.034277 -6.987572 -0.000000\n4.034277 6.987572 -0.000000\n0.000000 0.000000 6.046066\nSr P\n6 6\ndirect\n0.359544 0.000000 0.500000 Sr\n0.640457 0.640457 0.500000 Sr\n0.000000 0.359544 0.500000 Sr\n0.694410 0.000000 0.000000 Sr\n0.305590 0.305590 0.000000 Sr\n0.000000 0.694410 0.000000 Sr\n0.666667 0.333333 0.805556 P\n0.666667 0.333333 0.194445 P\n0.333333 0.666667 0.194445 P\n0.333333 0.666667 0.805556 P\n0.000000 0.000000 0.311455 P\n0.000000 0.000000 0.688546 P\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.46630923471347,
"density_atomic": 0.0352035415426761,
"volume": 340.87479481156157,
"volume_molar": 17.10663329909451,
"formula_full": "Sr6 P6",
"formula_reduced": "SrP",
"formula_anonymous": "AB",
"energy_above_hull": 0.2135459049999999,
"spacegroup": 189
}
]
}