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=nsites&page=3455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3453",
"results": [
{
"id": "jvasp-116713",
"created_at": "2022-09-04T14:38:45.038964Z",
"updated_at": "2022-09-04T14:38:45.038991Z",
"structure_string": "Al5 O8\n1.0\n4.877100 -0.000000 2.815795\n1.625700 4.598174 2.815795\n-0.000000 -0.000000 5.631590\nAl O\n5 8\ndirect\n0.616402 0.127866 0.127866 Al\n0.127866 0.616401 0.127867 Al\n0.127866 0.127866 0.616402 Al\n0.127866 0.127866 0.127866 Al\n0.750000 0.749999 0.750002 Al\n0.350520 0.883159 0.883161 O\n0.883160 0.350519 0.883161 O\n0.883160 0.883159 0.350522 O\n0.883160 0.883159 0.883162 O\n0.914026 0.361991 0.361992 O\n0.361991 0.914025 0.361992 O\n0.361991 0.361991 0.914026 O\n0.361991 0.361991 0.361992 O\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.4567372658366606,
"density_atomic": 0.1029355196563765,
"volume": 126.29265430822251,
"volume_molar": 5.850401086139511,
"formula_full": "Al5 O8",
"formula_reduced": "Al5O8",
"formula_anonymous": "A5B8",
"energy_above_hull": 2.388517076923077,
"spacegroup": 216
},
{
"id": "jvasp-21074",
"created_at": "2022-09-04T14:38:31.203496Z",
"updated_at": "2022-09-04T14:38:31.203522Z",
"structure_string": "Tm1 Mn6 Ge6\n1.0\n2.583817 -4.475303 0.000000\n2.583817 4.475303 -0.000000\n0.000000 0.000000 8.108955\nTm Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.250409 Mn\n0.500001 0.500001 0.749592 Mn\n0.500000 0.000000 0.749592 Mn\n0.000000 0.500000 0.749592 Mn\n0.500001 0.500001 0.250409 Mn\n0.500000 0.000000 0.250409 Mn\n0.000000 0.000000 0.342443 Ge\n0.333334 0.666667 0.500000 Ge\n0.666667 0.333334 0.500000 Ge\n0.333334 0.666667 0.000000 Ge\n0.666667 0.333334 0.000000 Ge\n0.000000 0.000000 0.657557 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Tm",
"density": 8.273780557237542,
"density_atomic": 0.06932091243521829,
"volume": 187.5335961878567,
"volume_molar": 8.687336257479018,
"formula_full": "Tm1 Mn6 Ge6",
"formula_reduced": "Tm(MnGe)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.9652041075596816,
"spacegroup": 191
},
{
"id": "jvasp-9267",
"created_at": "2022-09-04T14:38:30.862807Z",
"updated_at": "2022-09-04T14:38:30.862841Z",
"structure_string": "Sr2 Y1 Tl1 V2 O7\n1.0\n3.850885 0.000773 0.000188\n-0.000798 3.851859 0.007263\n-0.000691 -0.024239 12.562099\nSr Y Tl V O\n2 1 1 2 7\ndirect\n0.499945 0.499955 0.807751 Sr\n0.499940 0.500060 0.192256 Sr\n0.500022 0.499983 0.499999 Y\n0.999904 0.000007 0.000002 Tl\n0.000008 0.000001 0.635078 V\n0.000001 -0.000030 0.364921 V\n0.000028 0.499997 0.616649 O\n0.500013 0.000012 0.616615 O\n0.000013 0.499974 0.383346 O\n0.500003 -0.000050 0.383382 O\n0.999984 -0.000008 0.786817 O\n0.999951 -0.000021 0.213181 O\n0.500180 0.500115 0.000004 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Tl",
"V",
"O"
],
"chemical_system": "O-Sr-Tl-V-Y",
"density": 6.081328080061639,
"density_atomic": 0.06976676903322426,
"volume": 186.3351303227064,
"volume_molar": 8.631818333356017,
"formula_full": "Sr2 Y1 Tl1 V2 O7",
"formula_reduced": "Sr2YTlV2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.3248479669230773,
"spacegroup": 123
},
{
"id": "jvasp-21511",
"created_at": "2022-09-04T14:38:32.737442Z",
"updated_at": "2022-09-04T14:38:32.737475Z",
"structure_string": "Y1 B12\n1.0\n4.593102 -0.000000 2.651829\n1.531034 4.330418 2.651829\n0.000000 -0.000000 5.303658\nY B\n1 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.161997 0.500000 0.500001 B\n0.838002 0.500000 0.500001 B\n0.499999 0.500000 0.838003 B\n0.838002 0.161998 0.500001 B\n0.499999 0.838003 0.161998 B\n0.500000 0.161998 0.838003 B\n0.499999 0.838003 0.500001 B\n0.838002 0.500000 0.161998 B\n0.161997 0.838003 0.500001 B\n0.500000 0.161998 0.500001 B\n0.161997 0.500000 0.838003 B\n0.499999 0.500000 0.161998 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Y",
"B"
],
"chemical_system": "B-Y",
"density": 3.4416208560515105,
"density_atomic": 0.12323439339672079,
"volume": 105.49003116483814,
"volume_molar": 4.886737049626477,
"formula_full": "Y1 B12",
"formula_reduced": "YB12",
"formula_anonymous": "AB12",
"energy_above_hull": 5.33156741923077,
"spacegroup": 225
},
{
"id": "jvasp-45136",
"created_at": "2022-09-04T14:38:33.169919Z",
"updated_at": "2022-09-04T14:38:33.169937Z",
"structure_string": "Mn4 Cu1 O8\n1.0\n-0.028539 2.962053 -5.329066\n1.603480 -2.490668 -5.329066\n-4.916553 1.499053 -2.687317\nMn Cu O\n4 1 8\ndirect\n-0.000000 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500001 0.000000 Cu\n0.460626 0.240182 0.779554 O\n0.980537 0.282170 0.797433 O\n0.484737 0.777970 0.797432 O\n0.977933 0.725297 0.747361 O\n0.022066 0.274706 0.252640 O\n0.515263 0.222032 0.202568 O\n0.019462 0.717832 0.202568 O\n0.539373 0.759821 0.220447 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O",
"density": 4.796131065586262,
"density_atomic": 0.09129218006731783,
"volume": 142.39992943989228,
"volume_molar": 6.5965570715469175,
"formula_full": "Mn4 Cu1 O8",
"formula_reduced": "Mn4CuO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2692921088859417,
"spacegroup": 12
},
{
"id": "jvasp-111478",
"created_at": "2022-09-04T14:38:40.284247Z",
"updated_at": "2022-09-04T14:38:40.284269Z",
"structure_string": "Ba1 In1 Fe4 O7\n1.0\n5.455122 0.000000 3.149516\n1.818374 5.143138 3.149516\n0.000000 0.000000 6.299033\nBa In Fe O\n1 1 4 7\ndirect\n0.749999 0.750000 0.750001 Ba\n0.000000 0.000000 0.000000 In\n0.380441 0.380441 0.380442 Fe\n0.380441 0.380441 0.858677 Fe\n0.380440 0.858677 0.380442 Fe\n0.858676 0.380441 0.380442 Fe\n0.755681 0.244319 0.244319 O\n0.244318 0.755682 0.755682 O\n0.244318 0.755682 0.244319 O\n0.755681 0.244319 0.755682 O\n0.244318 0.244319 0.755682 O\n0.755681 0.755682 0.244320 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"In",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-In-O",
"density": 5.520339852099981,
"density_atomic": 0.07355917056389123,
"volume": 176.7284745103073,
"volume_molar": 8.186798075393405,
"formula_full": "Ba1 In1 Fe4 O7",
"formula_reduced": "BaInFe4O7",
"formula_anonymous": "ABC4D7",
"energy_above_hull": 2.702588649230769,
"spacegroup": 216
},
{
"id": "jvasp-9262",
"created_at": "2022-09-04T14:38:32.322548Z",
"updated_at": "2022-09-04T14:38:32.322569Z",
"structure_string": "Sr2 Y1 Tl1 Fe2 O7\n1.0\n3.825638 0.000000 -0.000000\n0.000000 3.825638 -0.000000\n0.000000 -0.000000 12.547794\nSr Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.198548 Sr\n0.500000 0.500000 0.801414 Sr\n0.500000 0.500000 0.500004 Y\n0.000000 0.000000 0.999982 Tl\n0.000000 0.000000 0.359161 Fe\n0.000000 0.000000 0.640845 Fe\n0.000000 0.500000 0.385770 O\n0.500000 0.000000 0.385770 O\n0.000000 0.500000 0.614258 O\n0.500000 0.000000 0.614258 O\n0.000000 0.000000 0.205476 O\n0.000000 0.000000 0.794533 O\n0.500000 0.500000 0.999983 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Sr",
"Y",
"Tl",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr-Tl-Y",
"density": 6.259144050368491,
"density_atomic": 0.07078939927243717,
"volume": 183.6433157169301,
"volume_molar": 8.50712228369595,
"formula_full": "Sr2 Y1 Tl1 Fe2 O7",
"formula_reduced": "Sr2YTlFe2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.177182782307693,
"spacegroup": 123
},
{
"id": "jvasp-29663",
"created_at": "2022-09-04T14:38:31.364418Z",
"updated_at": "2022-09-04T14:38:31.364452Z",
"structure_string": "Er6 I7\n1.0\n3.897859 -0.000000 0.686500\n1.263222 10.123584 4.236619\n0.017402 0.130040 11.310233\nEr I\n6 7\ndirect\n0.870563 0.712341 0.546533 Er\n0.685818 0.006792 0.621570 Er\n0.237318 0.728670 0.796693 Er\n0.314181 0.993208 0.378430 Er\n0.762681 0.271330 0.203308 Er\n0.129437 0.287660 0.453467 Er\n0.387355 0.160248 0.065041 I\n0.833879 0.500473 0.831766 I\n0.166120 0.499526 0.168233 I\n0.612644 0.839752 0.934959 I\n0.953023 0.834364 0.259591 I\n0.500000 0.500000 0.500000 I\n0.046977 0.165635 0.740409 I\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Er",
"I"
],
"chemical_system": "Er-I",
"density": 7.073178510666557,
"density_atomic": 0.02926941707683013,
"volume": 444.1496038638531,
"volume_molar": 20.57485717666433,
"formula_full": "Er6 I7",
"formula_reduced": "Er6I7",
"formula_anonymous": "A6B7",
"energy_above_hull": 0.6525430769230771,
"spacegroup": 12
},
{
"id": "jvasp-57702",
"created_at": "2022-09-04T14:38:33.292090Z",
"updated_at": "2022-09-04T14:38:33.292117Z",
"structure_string": "Ga1 Mo4 S8\n1.0\n6.018200 0.020007 3.441775\n2.005897 5.674109 3.441775\n0.028194 0.020007 6.932802\nGa Mo S\n1 4 8\ndirect\n0.001164 0.001164 0.001164 Ga\n0.398797 0.398799 0.808278 Mo\n0.398798 0.808278 0.398798 Mo\n0.398804 0.398805 0.398804 Mo\n0.808277 0.398799 0.398798 Mo\n0.594520 0.136722 0.136722 S\n0.136721 0.136722 0.594520 S\n0.136722 0.594520 0.136722 S\n0.136717 0.136718 0.136718 S\n0.099471 0.635070 0.635069 S\n0.635066 0.635067 0.635067 S\n0.635069 0.099471 0.635069 S\n0.635069 0.635070 0.099471 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S",
"density": 5.003393524848996,
"density_atomic": 0.05516946002079381,
"volume": 235.6376153600234,
"volume_molar": 10.9157145234523,
"formula_full": "Ga1 Mo4 S8",
"formula_reduced": "Ga(MoS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.5869989173076924,
"spacegroup": 216
},
{
"id": "jvasp-112167",
"created_at": "2022-09-04T14:38:44.972930Z",
"updated_at": "2022-09-04T14:38:44.972946Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.790880 0.006821 0.048840\n0.377659 4.247213 0.730990\n0.106246 0.423089 7.854640\nCd H C O\n1 4 4 4\ndirect\n0.385836 0.655452 0.249412 Cd\n0.659404 0.074571 0.670334 H\n0.099819 -0.000305 0.741005 H\n0.585448 0.547308 0.816076 H\n0.031383 0.472970 0.881737 H\n0.013790 0.404695 0.538432 C\n0.885401 0.190549 0.702988 C\n0.800884 0.359314 0.852371 C\n0.700127 0.132463 0.018013 C\n0.919456 0.359925 0.389733 O\n0.231593 0.607489 0.546271 O\n0.849930 0.848513 0.055602 O\n0.449635 0.214440 0.116310 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.0289742642740753,
"density_atomic": 0.10378525139197771,
"volume": 125.25864538210158,
"volume_molar": 5.802501491522612,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.930243365384616,
"spacegroup": 1
},
{
"id": "jvasp-11276",
"created_at": "2022-09-04T14:38:30.692178Z",
"updated_at": "2022-09-04T14:38:30.692202Z",
"structure_string": "Zn2 Sb3 O8\n1.0\n5.136322 -0.388936 -2.326244\n-0.979502 5.821537 -3.136063\n-0.885955 -0.376276 6.702544\nZn Sb O\n2 3 8\ndirect\n0.693736 0.668688 0.337376 Zn\n0.306263 0.331312 0.662624 Zn\n0.500000 0.999999 0.000001 Sb\n0.000000 0.733311 0.000001 Sb\n0.000000 0.266690 0.000000 Sb\n0.000797 0.381816 0.763633 O\n0.999201 0.618182 0.236367 O\n0.980703 0.882711 0.765423 O\n0.019296 0.117287 0.234577 O\n0.445763 0.365932 0.217409 O\n0.445763 0.851476 0.217409 O\n0.554236 0.148522 0.782589 O\n0.554236 0.634066 0.782590 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 5.826523239844761,
"density_atomic": 0.07308938157801868,
"volume": 177.86441367168024,
"volume_molar": 8.23941950250559,
"formula_full": "Zn2 Sb3 O8",
"formula_reduced": "Zn2Sb3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.8792836230769232,
"spacegroup": 12
},
{
"id": "jvasp-111918",
"created_at": "2022-09-04T14:38:39.376109Z",
"updated_at": "2022-09-04T14:38:39.376126Z",
"structure_string": "Mn5 O8\n1.0\n5.034444 0.041249 3.220546\n1.783730 4.708041 3.220546\n0.059217 0.041249 5.976123\nMn O\n5 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000001 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.732848 0.732848 0.732848 O\n0.241509 0.241509 0.726572 O\n0.241508 0.726573 0.241509 O\n0.726572 0.241509 0.241509 O\n0.273428 0.758492 0.758492 O\n0.758491 0.273428 0.758492 O\n0.758491 0.758492 0.273428 O\n0.267152 0.267152 0.267152 O\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.780117016757382,
"density_atomic": 0.09293233991364827,
"volume": 139.88671771397836,
"volume_molar": 6.480134650215101,
"formula_full": "Mn5 O8",
"formula_reduced": "Mn5O8",
"formula_anonymous": "A5B8",
"energy_above_hull": 3.6973972466843503,
"spacegroup": 166
}
]
}