HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1109",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1107",
"results": [
{
"id": "jvasp-119139",
"created_at": "2022-09-04T14:38:51.247017Z",
"updated_at": "2022-09-04T14:38:51.247046Z",
"structure_string": "Ta3 Al1 Cr8\n1.0\n4.849407 0.000000 0.000000\n-2.424705 4.199709 0.000000\n-0.000000 -0.000000 7.958034\nTa Al Cr\n3 1 8\ndirect\n0.000000 0.000000 0.441726 Ta\n0.000000 0.000000 0.060806 Ta\n0.333334 0.666667 0.936061 Ta\n0.333334 0.666667 0.564145 Al\n0.666667 0.333333 0.498671 Cr\n0.666667 0.333333 0.999560 Cr\n0.835999 0.671997 0.747974 Cr\n0.835999 0.164002 0.747974 Cr\n0.328003 0.164002 0.747974 Cr\n0.495885 0.991769 0.251702 Cr\n0.495885 0.504116 0.251702 Cr\n0.008231 0.504116 0.251702 Cr\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Ta",
"density": 10.100006058026066,
"density_atomic": 0.07404020657421985,
"volume": 162.07410210249594,
"volume_molar": 8.13360880343202,
"formula_full": "Ta3 Al1 Cr8",
"formula_reduced": "Ta3AlCr8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 6.106972466666666,
"spacegroup": 156
},
{
"id": "jvasp-119140",
"created_at": "2022-09-04T14:38:44.515288Z",
"updated_at": "2022-09-04T14:38:44.515320Z",
"structure_string": "Ta3 In2 S6\n1.0\n5.512353 0.015841 6.850817\n2.425065 4.950287 6.850817\n0.025319 0.015841 8.793127\nTa In S\n3 2 6\ndirect\n0.333127 0.333127 0.333128 Ta\n0.666872 0.666873 0.666874 Ta\n0.000000 0.000000 0.000000 Ta\n0.156954 0.156954 0.156955 In\n0.843045 0.843046 0.843047 In\n0.398639 0.728300 0.065700 S\n0.065699 0.398640 0.728300 S\n0.728299 0.065699 0.398641 S\n0.271700 0.601360 0.934302 S\n0.934300 0.271700 0.601361 S\n0.601359 0.934301 0.271702 S\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"In",
"S"
],
"chemical_system": "In-S-Ta",
"density": 6.720209953094228,
"density_atomic": 0.046137896220985075,
"volume": 238.41572548764864,
"volume_molar": 13.052482348037634,
"formula_full": "Ta3 In2 S6",
"formula_reduced": "Ta3(InS3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 3.265198867272727,
"spacegroup": 155
},
{
"id": "jvasp-119141",
"created_at": "2022-09-04T14:38:35.423975Z",
"updated_at": "2022-09-04T14:38:35.423993Z",
"structure_string": "Ta6 Mn1 C3 S6\n1.0\n5.683932 -0.001457 0.610632\n-2.939294 4.864940 0.610632\n0.042936 0.076082 8.528844\nTa Mn C S\n6 1 3 6\ndirect\n0.119438 0.119437 0.638487 Ta\n0.454485 0.786258 0.639994 Ta\n0.786259 0.454484 0.639994 Ta\n0.213742 0.545515 0.360006 Ta\n0.545515 0.213741 0.360006 Ta\n0.880563 0.880562 0.361512 Ta\n0.000000 0.000000 0.000000 Mn\n0.168609 0.831392 0.500000 C\n0.500000 0.500000 0.500000 C\n0.831392 0.168607 0.500000 C\n0.279471 0.279471 0.158921 S\n0.614315 0.946388 0.160679 S\n0.946389 0.614314 0.160679 S\n0.053612 0.385685 0.839321 S\n0.385686 0.053611 0.839321 S\n0.720530 0.720528 0.841079 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Mn",
"C",
"S"
],
"chemical_system": "C-Mn-S-Ta",
"density": 9.662560990777889,
"density_atomic": 0.06800559436708598,
"volume": 235.2747615679077,
"volume_molar": 8.855360821483615,
"formula_full": "Ta6 Mn1 C3 S6",
"formula_reduced": "Ta6Mn(CS2)3",
"formula_anonymous": "AB3C6D6",
"energy_above_hull": 5.713150152586207,
"spacegroup": 12
},
{
"id": "jvasp-119142",
"created_at": "2022-09-04T14:38:35.432877Z",
"updated_at": "2022-09-04T14:38:35.432902Z",
"structure_string": "Sr2 La2 Ga6 O14\n1.0\n8.089927 0.014992 0.000000\n-0.001758 8.089940 0.000000\n-0.000000 -0.000000 5.363498\nSr La Ga O\n2 2 6 14\ndirect\n0.161691 0.838309 0.491631 Sr\n0.838309 0.161691 0.491631 Sr\n0.663457 0.663457 0.506860 La\n0.336543 0.336543 0.506860 La\n0.500000 -0.000000 0.000665 Ga\n-0.000000 0.500000 0.000665 Ga\n0.356301 0.643699 0.032576 Ga\n0.855771 0.855770 0.966317 Ga\n0.643699 0.356301 0.032576 Ga\n0.144229 0.144229 0.966317 Ga\n0.165513 0.580606 0.206714 O\n0.659763 0.908518 0.791362 O\n0.834487 0.419394 0.206714 O\n0.340237 0.091481 0.791362 O\n0.091481 0.340237 0.791362 O\n0.580606 0.165513 0.206714 O\n0.851886 0.851886 0.304888 O\n0.419394 0.834486 0.206714 O\n0.148114 0.148114 0.304888 O\n0.631355 0.368645 0.693219 O\n0.000000 0.000000 0.815079 O\n0.368645 0.631355 0.693219 O\n0.908519 0.659763 0.791362 O\n0.500000 0.500000 0.200312 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"La",
"Ga",
"O"
],
"chemical_system": "Ga-La-O-Sr",
"density": 5.181743572618019,
"density_atomic": 0.06837117450484889,
"volume": 351.02512387435905,
"volume_molar": 8.808011276115945,
"formula_full": "Sr2 La2 Ga6 O14",
"formula_reduced": "SrLaGa3O7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.4952760654166664,
"spacegroup": 35
},
{
"id": "jvasp-119143",
"created_at": "2022-09-04T14:38:51.324887Z",
"updated_at": "2022-09-04T14:38:51.324914Z",
"structure_string": "Sr3 Nd1 Mn2 O8\n1.0\n6.753506 -0.037717 0.000000\n-4.527853 5.010968 0.000000\n-0.000000 -0.000000 5.448675\nSr Nd Mn O\n3 1 2 8\ndirect\n0.643930 0.356070 -0.000000 Sr\n0.358560 0.641440 -0.000000 Sr\n0.855503 0.144497 0.500000 Sr\n0.137552 0.862448 0.500000 Nd\n0.498644 0.501356 0.500000 Mn\n0.998403 0.001596 -0.000000 Mn\n0.843120 0.156880 -0.000000 O\n0.331291 0.668710 0.500000 O\n0.658541 0.341459 0.500000 O\n0.160139 0.839862 -0.000000 O\n0.249565 0.242406 0.255572 O\n0.757595 0.750435 0.744429 O\n0.249565 0.242406 0.744429 O\n0.757595 0.750435 0.255572 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Mn",
"O"
],
"chemical_system": "Mn-Nd-O-Sr",
"density": 5.837758974004189,
"density_atomic": 0.0763103364903339,
"volume": 183.46138470734374,
"volume_molar": 7.891644876658111,
"formula_full": "Sr3 Nd1 Mn2 O8",
"formula_reduced": "Sr3NdMn2O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.2428730651970445,
"spacegroup": 38
},
{
"id": "jvasp-119144",
"created_at": "2022-09-04T14:38:35.495055Z",
"updated_at": "2022-09-04T14:38:35.495066Z",
"structure_string": "Sr2 Ca2 Ti4 O12\n1.0\n5.495092 0.000000 0.000000\n0.000000 5.522604 0.000000\n-0.000000 -0.000000 7.752269\nSr Ca Ti O\n2 2 4 12\ndirect\n0.252033 0.984309 0.500000 Sr\n0.747967 0.484310 0.500000 Sr\n0.244287 0.038409 -0.000000 Ca\n0.755713 0.538409 -0.000000 Ca\n0.253904 0.510445 0.755117 Ti\n0.746096 0.010446 0.244883 Ti\n0.253904 0.510445 0.244883 Ti\n0.746096 0.010446 0.755117 Ti\n0.679331 0.976887 -0.000000 O\n0.320669 0.476887 -0.000000 O\n0.968913 0.274443 0.789074 O\n0.031087 0.774443 0.210926 O\n0.528425 0.715742 0.272881 O\n0.968913 0.274443 0.210926 O\n0.528425 0.715742 0.727119 O\n0.471574 0.215742 0.272881 O\n0.202147 0.499128 0.500000 O\n0.031087 0.774443 0.789074 O\n0.471574 0.215742 0.727119 O\n0.797852 -0.000871 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Sr-Ti",
"density": 4.509256231804023,
"density_atomic": 0.08501240265491525,
"volume": 235.25979004716015,
"volume_molar": 7.083837854160227,
"formula_full": "Sr2 Ca2 Ti4 O12",
"formula_reduced": "SrCaTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1881014396666667,
"spacegroup": 26
},
{
"id": "jvasp-119145",
"created_at": "2022-09-04T14:38:51.643218Z",
"updated_at": "2022-09-04T14:38:51.643240Z",
"structure_string": "Sr1 Ca2 Fe3 O6\n1.0\n3.847547 -0.000000 0.000000\n0.000000 3.847547 0.000000\n-0.000000 -0.000000 9.859974\nSr Ca Fe O\n1 2 3 6\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.500000 0.338771 Ca\n0.500000 0.500000 0.661229 Ca\n0.000000 0.000000 0.814153 Fe\n0.000000 0.000000 0.185847 Fe\n0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.181583 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.818417 O\n0.500000 0.000000 0.181583 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.818417 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Sr",
"density": 4.906732359606142,
"density_atomic": 0.08221245344199511,
"volume": 145.9632877696149,
"volume_molar": 7.325095539508395,
"formula_full": "Sr1 Ca2 Fe3 O6",
"formula_reduced": "SrCa2(FeO2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.185236220833333,
"spacegroup": 123
},
{
"id": "jvasp-119146",
"created_at": "2022-09-04T14:38:51.257469Z",
"updated_at": "2022-09-04T14:38:51.257493Z",
"structure_string": "Sr1 Ca3 Ru4 O12\n1.0\n7.745808 -0.000000 0.000000\n0.000000 5.417084 0.005988\n-0.000000 -0.001742 5.584058\nSr Ca Ru O\n1 3 4 12\ndirect\n0.500000 0.490796 0.546630 Sr\n0.500000 0.015520 0.054993 Ca\n-0.000000 0.513331 0.440360 Ca\n-0.000000 0.986010 0.945001 Ca\n0.247139 0.000552 0.500322 Ru\n0.752446 0.499273 0.999415 Ru\n0.752862 0.000552 0.500322 Ru\n0.247554 0.499273 0.999415 Ru\n0.500000 0.930506 0.471120 O\n0.500000 0.594629 0.991110 O\n0.285894 0.294866 0.290662 O\n0.704945 0.193702 0.801990 O\n0.798929 0.697581 0.701983 O\n0.714106 0.294866 0.290662 O\n0.201071 0.697581 0.701983 O\n0.801595 0.798851 0.204055 O\n-0.000000 0.404137 0.022123 O\n0.295055 0.193702 0.801990 O\n0.198405 0.798851 0.204055 O\n-0.000000 0.095415 0.531817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru-Sr",
"density": 5.698903013798354,
"density_atomic": 0.08535866765923492,
"volume": 234.30543784777794,
"volume_molar": 7.055101637763751,
"formula_full": "Sr1 Ca3 Ru4 O12",
"formula_reduced": "SrCa3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7450200785,
"spacegroup": 6
},
{
"id": "jvasp-119147",
"created_at": "2022-09-04T14:38:51.954677Z",
"updated_at": "2022-09-04T14:38:51.954703Z",
"structure_string": "Sr12 Sn4 N3\n1.0\n5.233800 -0.000000 0.000000\n0.000000 5.233800 0.000000\n-0.000000 -0.000000 20.985161\nSr Sn N\n12 4 3\ndirect\n0.500000 0.500000 0.864987 Sr\n-0.000000 0.500000 0.746090 Sr\n-0.000000 0.500000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.746090 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.253910 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.622999 Sr\n0.500000 0.500000 0.377001 Sr\n0.500000 0.500000 0.135013 Sr\n0.500000 0.000000 0.253910 Sr\n0.000000 0.000000 0.882391 Sn\n0.000000 0.000000 0.117609 Sn\n0.000000 0.000000 0.375041 Sn\n0.000000 0.000000 0.624959 Sn\n0.500000 0.500000 0.500000 N\n0.500000 0.500000 0.249218 N\n0.500000 0.500000 0.750782 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"N"
],
"chemical_system": "N-Sn-Sr",
"density": 4.530349592245707,
"density_atomic": 0.03305270821399992,
"volume": 574.8394315220528,
"volume_molar": 18.219810373811487,
"formula_full": "Sr12 Sn4 N3",
"formula_reduced": "Sr12Sn4N3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 0.6468874878947367,
"spacegroup": 123
},
{
"id": "jvasp-119148",
"created_at": "2022-09-04T14:38:50.090317Z",
"updated_at": "2022-09-04T14:38:50.090336Z",
"structure_string": "Sm4 Ti4 S4 O9\n1.0\n6.776292 -0.004445 6.268555\n5.772012 3.549934 6.268555\n0.023811 0.006728 12.773087\nSm Ti S O\n4 4 4 9\ndirect\n0.867376 0.867373 0.821586 Sm\n0.141569 0.141569 0.160030 Sm\n0.154904 0.154904 0.690369 Sm\n0.844512 0.844509 0.311733 Sm\n0.879204 0.879201 0.544590 Ti\n0.117802 0.117802 0.462954 Ti\n0.433549 0.433548 0.968730 Ti\n0.565425 0.565422 0.030734 Ti\n0.545277 0.545276 0.656296 S\n0.461245 0.461244 0.350906 S\n0.291857 0.291857 0.734657 S\n0.693511 0.693508 0.279157 S\n0.037534 0.037534 0.098841 O\n0.767328 0.767325 0.560239 O\n0.233788 0.233788 0.439126 O\n0.588511 0.588510 0.864754 O\n0.409089 0.409088 0.137638 O\n0.322476 0.322476 0.974551 O\n0.680240 0.680237 0.016525 O\n0.959721 0.959718 0.906369 O\n0.983590 0.983587 0.542815 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"Ti",
"S",
"O"
],
"chemical_system": "O-S-Sm-Ti",
"density": 5.761073498161626,
"density_atomic": 0.0684002523632648,
"volume": 307.0164111160255,
"volume_molar": 8.804266873193972,
"formula_full": "Sm4 Ti4 S4 O9",
"formula_reduced": "Sm4Ti4S4O9",
"formula_anonymous": "A4B4C4D9",
"energy_above_hull": 2.914728587301587,
"spacegroup": 8
},
{
"id": "jvasp-119149",
"created_at": "2022-09-04T14:38:35.625154Z",
"updated_at": "2022-09-04T14:38:35.625170Z",
"structure_string": "Sm2 Co16 Ag1\n1.0\n6.270625 0.003714 0.711084\n0.635421 6.238348 0.711084\n0.004109 0.003714 6.310813\nSm Co Ag\n2 16 1\ndirect\n0.652333 0.652333 0.652333 Sm\n0.343923 0.343923 0.343922 Sm\n0.006641 0.006641 0.488027 Co\n0.488027 0.006641 0.006641 Co\n0.006641 0.488028 0.006641 Co\n0.649088 0.649089 0.158062 Co\n0.158063 0.649089 0.649088 Co\n0.649088 0.158062 0.649088 Co\n0.344957 0.344957 0.846913 Co\n0.846913 0.344957 0.344957 Co\n0.344957 0.846913 0.344957 Co\n0.290426 0.000613 0.710554 Co\n0.710554 0.290426 0.000613 Co\n0.000613 0.710554 0.290425 Co\n0.290426 0.710554 0.000613 Co\n0.000613 0.290426 0.710554 Co\n0.710554 0.000613 0.290426 Co\n0.108353 0.108353 0.108353 Co\n0.897826 0.897826 0.897825 Ag\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"Co",
"Ag"
],
"chemical_system": "Ag-Co-Sm",
"density": 9.09264119540456,
"density_atomic": 0.07697900599590785,
"volume": 246.8205422269291,
"volume_molar": 7.823094988158374,
"formula_full": "Sm2 Co16 Ag1",
"formula_reduced": "Sm2Co16Ag",
"formula_anonymous": "AB2C16",
"energy_above_hull": 3.6715168110526313,
"spacegroup": 160
},
{
"id": "jvasp-119150",
"created_at": "2022-09-04T14:38:51.403035Z",
"updated_at": "2022-09-04T14:38:51.403064Z",
"structure_string": "Sb6 O13\n1.0\n6.358777 0.000012 -3.729504\n-2.076970 5.993909 -3.755330\n0.008126 -0.000012 7.371783\nSb O\n6 13\ndirect\n0.247439 0.999636 0.247802 Sb\n0.751835 0.999636 0.752199 Sb\n0.746701 0.996211 0.249511 Sb\n0.746701 0.497190 0.750490 Sb\n0.252455 0.515605 0.263151 Sb\n0.252455 0.989304 0.736850 Sb\n0.654375 0.059333 0.981158 O\n0.654374 0.673216 0.595040 O\n0.078176 0.059333 0.404961 O\n0.676738 0.676738 0.000000 O\n0.069322 0.069322 0.000000 O\n0.839062 0.324890 0.908941 O\n0.839061 0.930121 0.514171 O\n0.078176 0.673216 0.018843 O\n0.415950 0.930121 0.091060 O\n0.816048 0.316047 0.500001 O\n0.426653 0.926652 0.500000 O\n0.415950 0.324890 0.485830 O\n0.163541 0.663540 0.500000 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.543331626877027,
"density_atomic": 0.06757980468332422,
"volume": 281.1490812829824,
"volume_molar": 8.91115443174106,
"formula_full": "Sb6 O13",
"formula_reduced": "Sb6O13",
"formula_anonymous": "A6B13",
"energy_above_hull": 2.6474522157894738,
"spacegroup": 44
}
]
}