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=created_at&page=158",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=156",
"results": [
{
"id": "jvasp-93933",
"created_at": "2022-09-04T14:35:45.860979Z",
"updated_at": "2022-09-04T14:35:45.861009Z",
"structure_string": "Th4 Al2\n1.0\n5.103094 0.000000 2.776920\n2.551547 5.439919 1.388460\n-0.048616 -0.000000 6.166731\nTh Al\n4 2\ndirect\n0.158150 0.500000 0.183699 Th\n0.341849 0.816301 0.500000 Th\n0.658149 0.183699 0.500000 Th\n0.841849 0.500000 0.816301 Th\n0.250000 0.000000 0.000000 Al\n0.749999 0.000000 0.000000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 9.485745135901475,
"density_atomic": 0.03489885033327022,
"volume": 171.9254342966136,
"volume_molar": 17.255986092638977,
"formula_full": "Th4 Al2",
"formula_reduced": "Th2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 2.414788,
"spacegroup": 140
},
{
"id": "jvasp-38540",
"created_at": "2022-09-04T14:35:45.868322Z",
"updated_at": "2022-09-04T14:35:45.868346Z",
"structure_string": "Li1 Y1 O3\n1.0\n3.654448 0.000000 -0.000000\n-0.000000 3.654448 -0.000000\n0.000000 0.000000 3.654448\nLi Y O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Y",
"O"
],
"chemical_system": "Li-O-Y",
"density": 4.894165589799129,
"density_atomic": 0.1024482736621946,
"volume": 48.80511717051116,
"volume_molar": 5.878225708182222,
"formula_full": "Li1 Y1 O3",
"formula_reduced": "LiYO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.88310319,
"spacegroup": 221
},
{
"id": "jvasp-94420",
"created_at": "2022-09-04T14:35:45.871528Z",
"updated_at": "2022-09-04T14:35:45.871546Z",
"structure_string": "Fe4 B2\n1.0\n-2.519971 2.519971 -2.110415\n2.519971 -2.519971 -2.110415\n-2.519971 -2.519971 2.110415\nFe B\n4 2\ndirect\n0.834149 0.334149 0.168297 Fe\n0.165852 0.665851 0.831702 Fe\n0.665853 0.834149 0.500000 Fe\n0.334148 0.165852 0.500000 Fe\n0.750002 0.750002 0.000000 B\n0.250001 0.250001 0.000000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"B"
],
"chemical_system": "B-Fe",
"density": 7.589266174793313,
"density_atomic": 0.11192634146375856,
"volume": 53.60668383807384,
"volume_molar": 5.380449929161628,
"formula_full": "Fe4 B2",
"formula_reduced": "Fe2B",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2607978611111106,
"spacegroup": 140
},
{
"id": "jvasp-85765",
"created_at": "2022-09-04T14:35:45.872784Z",
"updated_at": "2022-09-04T14:35:45.872800Z",
"structure_string": "S18\n1.0\n11.262310 -0.000008 0.000000\n-5.631148 9.753451 -0.000000\n0.000000 0.000000 4.170939\nS\n18\ndirect\n0.178507 0.684892 0.640623 S\n0.727635 0.537345 0.288485 S\n0.814201 0.850525 0.665556 S\n0.948404 0.431112 0.016942 S\n0.405649 0.299931 -0.005011 S\n0.482709 0.051596 0.016942 S\n0.149474 0.963675 0.665556 S\n0.894282 0.594351 -0.005011 S\n0.568887 0.517291 0.016942 S\n0.506384 0.821492 0.640623 S\n0.700069 0.105718 -0.005011 S\n0.315108 0.493616 0.640623 S\n0.036324 0.185799 0.665556 S\n0.663163 0.834700 0.407404 S\n0.165299 0.828464 0.407404 S\n0.171536 0.336837 0.407404 S\n0.462655 0.190289 0.288485 S\n0.809710 0.272364 0.288485 S\n",
"nsites": 18,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.091863792023289,
"density_atomic": 0.03928737941888364,
"volume": 458.1623988732684,
"volume_molar": 15.328435871967157,
"formula_full": "S18",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 0.1994200000000003,
"spacegroup": 143
},
{
"id": "jvasp-43582",
"created_at": "2022-09-04T14:35:45.873207Z",
"updated_at": "2022-09-04T14:35:45.873236Z",
"structure_string": "V8 O8 F8\n1.0\n0.000000 4.623602 0.007200\n6.116446 0.000000 0.000000\n0.000000 -0.117040 -9.359010\nV O F\n8 8 8\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.533343 0.250640 0.233083 V\n0.466656 0.750640 0.266917 V\n0.533343 0.249360 0.733083 V\n0.466656 0.749361 0.766917 V\n0.807373 0.245401 0.591260 O\n0.807373 0.254599 0.091260 O\n0.695755 0.999238 0.843956 O\n0.695755 0.500763 0.343955 O\n0.304245 0.499238 0.656045 O\n0.304245 0.000763 0.156045 O\n0.192627 0.745402 0.908740 O\n0.192627 0.754599 0.408740 O\n0.213332 0.248678 0.398311 F\n0.213332 0.251322 0.898311 F\n0.295432 0.500386 0.153929 F\n0.295432 0.999615 0.653929 F\n0.704568 0.000386 0.346071 F\n0.704568 0.499614 0.846071 F\n0.786668 0.748679 0.101689 F\n0.786668 0.751322 0.601689 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.313500671779583,
"density_atomic": 0.09067972600034348,
"volume": 264.66776046399934,
"volume_molar": 6.6411104506173615,
"formula_full": "V8 O8 F8",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0786826608333333,
"spacegroup": 14
},
{
"id": "jvasp-105793",
"created_at": "2022-09-04T14:35:45.874949Z",
"updated_at": "2022-09-04T14:35:45.874974Z",
"structure_string": "Li1 Tl3\n1.0\n4.279623 -0.017516 -4.114766\n-0.787735 4.206536 -4.114766\n0.014601 0.017516 5.936856\nLi Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.499999 Tl\n0.250001 0.750001 0.500001 Tl\n0.500000 0.500000 -0.000001 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Tl"
],
"chemical_system": "Li-Tl",
"density": 9.586075249986827,
"density_atomic": 0.037238859342282014,
"volume": 107.41467570834779,
"volume_molar": 16.171657420135578,
"formula_full": "Li1 Tl3",
"formula_reduced": "LiTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-4591",
"created_at": "2022-09-04T14:35:45.875369Z",
"updated_at": "2022-09-04T14:35:45.875392Z",
"structure_string": "Tl6 Te1 O6\n1.0\n6.556938 0.267826 -0.684141\n-0.786146 6.515145 -0.684148\n0.227859 0.267833 6.588593\nTl Te O\n6 1 6\ndirect\n0.724574 0.431938 0.857972 Tl\n0.431938 0.857973 0.724574 Tl\n0.857972 0.724575 0.431937 Tl\n0.275426 0.568063 0.142028 Tl\n0.568063 0.142028 0.275426 Tl\n0.142028 0.275426 0.568062 Tl\n0.000000 0.000000 0.000000 Te\n0.035727 0.953725 0.706666 O\n0.953725 0.706668 0.035727 O\n0.706667 0.035727 0.953725 O\n0.964273 0.046276 0.293333 O\n0.046275 0.293333 0.964272 O\n0.293333 0.964274 0.046275 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tl",
"Te",
"O"
],
"chemical_system": "O-Te-Tl",
"density": 8.442793187841652,
"density_atomic": 0.04558726045562342,
"volume": 285.16738821484466,
"volume_molar": 13.210139630702765,
"formula_full": "Tl6 Te1 O6",
"formula_reduced": "Tl6TeO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 1.0234726435897434,
"spacegroup": 148
},
{
"id": "jvasp-89911",
"created_at": "2022-09-04T14:35:45.877809Z",
"updated_at": "2022-09-04T14:35:45.877834Z",
"structure_string": "U3 Al3 Ir3\n1.0\n0.000000 0.000000 -4.118374\n-3.458031 -5.989485 0.000000\n-3.458172 5.989567 0.000000\nU Al Ir\n3 3 3\ndirect\n0.499999 0.577567 -0.000000 U\n0.499999 0.422408 0.422412 U\n0.499999 -0.000005 0.577587 U\n0.000000 0.236043 -0.000000 Al\n0.000000 0.763925 0.763953 Al\n0.000000 -0.000029 0.236046 Al\n0.000000 0.333330 0.666658 Ir\n0.000000 0.666671 0.333341 Ir\n0.499999 0.999990 -0.000001 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-U",
"density": 13.35108856280175,
"density_atomic": 0.052754139038495705,
"volume": 170.60272736955346,
"volume_molar": 11.415484869548393,
"formula_full": "U3 Al3 Ir3",
"formula_reduced": "UAlIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3968433,
"spacegroup": 189
},
{
"id": "jvasp-70512",
"created_at": "2022-09-04T14:35:45.884536Z",
"updated_at": "2022-09-04T14:35:45.884562Z",
"structure_string": "Be1 In1 Ge1\n1.0\n1.976745 -3.423823 0.000000\n1.976745 3.423823 -0.000000\n0.000000 -0.000000 4.227551\nBe In Ge\n1 1 1\ndirect\n-0.000000 0.000000 0.166571 Be\n0.333332 0.666666 0.666707 In\n0.666666 0.333332 0.166722 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"In",
"Ge"
],
"chemical_system": "Be-Ge-In",
"density": 5.701182452258247,
"density_atomic": 0.052425242683094786,
"volume": 57.22434168087103,
"volume_molar": 11.48710135001801,
"formula_full": "Be1 In1 Ge1",
"formula_reduced": "BeInGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7168306733333333,
"spacegroup": 187
},
{
"id": "jvasp-66642",
"created_at": "2022-09-04T14:35:45.886612Z",
"updated_at": "2022-09-04T14:35:45.886644Z",
"structure_string": "Ba4 Zn1 Pt1\n1.0\n0.000000 4.832662 4.832662\n4.832662 -0.000000 4.832662\n4.832662 4.832662 0.000000\nBa Zn Pt\n4 1 1\ndirect\n0.127712 0.624096 0.624096 Ba\n0.624096 0.624096 0.624096 Ba\n0.624096 0.127712 0.624096 Ba\n0.624096 0.624096 0.127712 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Pt"
],
"chemical_system": "Ba-Pt-Zn",
"density": 5.957144662452515,
"density_atomic": 0.026580429288703734,
"volume": 225.7299885878783,
"volume_molar": 22.656296083823282,
"formula_full": "Ba4 Zn1 Pt1",
"formula_reduced": "Ba4ZnPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1016276133333332,
"spacegroup": 216
},
{
"id": "jvasp-74609",
"created_at": "2022-09-04T14:35:45.887833Z",
"updated_at": "2022-09-04T14:35:45.887855Z",
"structure_string": "Na2 Y1 Be1\n1.0\n-2.559384 2.559384 3.617905\n2.559384 -2.559384 3.617905\n2.559384 2.559384 -3.617905\nNa Y Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.749999 0.499999 Na\n0.499999 0.499999 0.000000 Y\n0.749999 0.250000 0.499999 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Y",
"Be"
],
"chemical_system": "Be-Na-Y",
"density": 2.520661381998962,
"density_atomic": 0.04219606376081319,
"volume": 94.79557199159264,
"volume_molar": 14.271806948952111,
"formula_full": "Na2 Y1 Be1",
"formula_reduced": "Na2YBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9555523875,
"spacegroup": 216
},
{
"id": "jvasp-68030",
"created_at": "2022-09-04T14:35:45.888251Z",
"updated_at": "2022-09-04T14:35:45.888272Z",
"structure_string": "Be1 Si2 Pd1\n1.0\n-1.887581 1.887581 3.760957\n1.887581 -1.887581 3.760957\n1.887581 1.887581 -3.760957\nBe Si Pd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Pd"
],
"chemical_system": "Be-Pd-Si",
"density": 5.316243691312333,
"density_atomic": 0.07462604704989355,
"volume": 53.60058797333425,
"volume_molar": 8.06975713985455,
"formula_full": "Be1 Si2 Pd1",
"formula_reduced": "BeSi2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.48523975,
"spacegroup": 119
}
]
}