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=updated_at&page=539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=537",
"results": [
{
"id": "jvasp-85664",
"created_at": "2022-09-04T14:35:58.522485Z",
"updated_at": "2022-09-04T14:35:58.522510Z",
"structure_string": "K2 H6 C4 O6\n1.0\n3.730971 0.012133 0.067720\n-0.240307 5.456405 -1.071359\n0.188542 -0.079984 9.698053\nK H C O\n2 6 4 6\ndirect\n0.880778 0.707030 0.874189 K\n0.119220 0.292971 0.125810 K\n0.016330 0.164739 0.602551 H\n0.983668 0.835262 0.397449 H\n0.158407 0.471605 0.584326 H\n0.841592 0.528396 0.415674 H\n0.439589 0.218073 0.518632 H\n0.560409 0.781928 0.481368 H\n0.754380 0.704999 0.397595 C\n0.245619 0.295002 0.602405 C\n0.495402 0.151262 0.797453 C\n0.504597 0.848739 0.202546 C\n0.662142 0.217272 0.911004 O\n0.408702 0.350146 0.738090 O\n0.591296 0.649855 0.261909 O\n0.404573 0.938740 0.735253 O\n0.595425 0.061261 0.264746 O\n0.337856 0.782730 0.088996 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 1.9235703605877268,
"density_atomic": 0.09133917317439927,
"volume": 197.0676914890782,
"volume_molar": 6.593163207752683,
"formula_full": "K2 H6 C4 O6",
"formula_reduced": "KH3C2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.3149231666666665,
"spacegroup": 2
},
{
"id": "jvasp-96071",
"created_at": "2022-09-04T14:35:58.529860Z",
"updated_at": "2022-09-04T14:35:58.529884Z",
"structure_string": "Eu2 Al4 Cl16\n1.0\n6.800734 0.000000 0.000000\n0.000000 6.444818 -0.346929\n0.000000 0.285827 12.999106\nEu Al Cl\n2 4 16\ndirect\n0.175887 0.500000 0.250000 Eu\n0.824112 0.500001 0.750000 Eu\n0.258048 0.665561 0.912429 Al\n0.258048 0.334440 0.587571 Al\n0.741952 0.334440 0.087571 Al\n0.741952 0.665561 0.412429 Al\n0.845572 0.645287 0.128530 Cl\n0.154427 0.354714 0.871470 Cl\n0.154427 0.645287 0.628530 Cl\n0.491510 0.233518 0.178309 Cl\n0.491510 0.766483 0.321692 Cl\n0.508489 0.766483 0.821692 Cl\n0.508489 0.233518 0.678309 Cl\n0.001459 0.840974 0.371338 Cl\n0.998540 0.840975 0.871339 Cl\n0.660984 0.289085 0.926976 Cl\n0.660984 0.710916 0.573024 Cl\n0.339015 0.710916 0.073024 Cl\n0.339015 0.289085 0.426976 Cl\n0.845572 0.354714 0.371470 Cl\n0.001459 0.159026 0.128662 Cl\n0.998540 0.159026 0.628662 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Eu",
"density": 2.850253109249881,
"density_atomic": 0.03856816755995973,
"volume": 570.4185962633006,
"volume_molar": 15.614277630996392,
"formula_full": "Eu2 Al4 Cl16",
"formula_reduced": "Eu(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.4725125581818182,
"spacegroup": 13
},
{
"id": "jvasp-61762",
"created_at": "2022-09-04T14:35:58.535410Z",
"updated_at": "2022-09-04T14:35:58.535431Z",
"structure_string": "Ho1 B2 Ir3\n1.0\n4.722518 2.726436 -0.028562\n-4.722518 2.726436 -0.028562\n0.000000 0.033211 3.167530\nHo B Ir\n1 2 3\ndirect\n0.500001 0.500001 0.500001 Ho\n0.166674 0.833327 0.500001 B\n0.833327 0.166674 0.500001 B\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"B",
"Ir"
],
"chemical_system": "B-Ho-Ir",
"density": 15.535383794803321,
"density_atomic": 0.07355020521026527,
"volume": 81.57693078961785,
"volume_molar": 8.187795999730945,
"formula_full": "Ho1 B2 Ir3",
"formula_reduced": "HoB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.367197338888889,
"spacegroup": 191
},
{
"id": "jvasp-52816",
"created_at": "2022-09-04T14:35:58.539410Z",
"updated_at": "2022-09-04T14:35:58.539435Z",
"structure_string": "Nd3 Al3 Si3 N2 O12\n1.0\n8.123489 0.000000 0.000000\n-4.061744 6.832431 -0.072114\n0.000000 -0.037275 4.922671\nNd Al Si N O\n3 3 3 2 12\ndirect\n0.988293 0.408704 0.005463 Nd\n0.579590 0.591297 0.994537 Nd\n0.416388 0.000000 0.000000 Nd\n0.013429 0.777748 0.525401 Al\n0.002408 0.000000 0.000000 Al\n0.235682 0.222253 0.474599 Al\n0.333809 0.662478 0.541512 Si\n0.671332 0.337523 0.458488 Si\n0.738879 0.000000 0.500000 Si\n0.540443 0.839615 0.685207 N\n0.700828 0.160385 0.314794 N\n0.658222 0.335915 0.791930 O\n0.870476 0.764892 0.803736 O\n0.787728 0.878227 0.264688 O\n0.473317 0.316984 0.321702 O\n0.208451 0.066690 0.748582 O\n0.141761 0.933310 0.251418 O\n0.322307 0.664086 0.208070 O\n0.105584 0.235108 0.196264 O\n0.156334 0.683017 0.678298 O\n0.846397 0.547546 0.336319 O\n0.298850 0.452454 0.663682 O\n0.909501 0.121774 0.735313 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Nd",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-Nd-O-Si",
"density": 4.97144963192059,
"density_atomic": 0.08418677716434818,
"volume": 273.2020487623578,
"volume_molar": 7.15330953724914,
"formula_full": "Nd3 Al3 Si3 N2 O12",
"formula_reduced": "Nd3Al3Si3(NO6)2",
"formula_anonymous": "A2B3C3D3E12",
"energy_above_hull": 3.1105642260869564,
"spacegroup": 5
},
{
"id": "jvasp-69906",
"created_at": "2022-09-04T14:35:58.540417Z",
"updated_at": "2022-09-04T14:35:58.540434Z",
"structure_string": "Ti1 Be1 Cr1\n1.0\n1.274560 -2.207601 0.000000\n1.274560 2.207601 0.000000\n-0.000000 0.000000 6.623394\nTi Be Cr\n1 1 1\ndirect\n0.333333 0.666667 0.674797 Ti\n0.000000 0.000000 0.015112 Be\n0.666667 0.333333 0.310090 Cr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Ti",
"density": 4.850504787051922,
"density_atomic": 0.08048775275211227,
"volume": 37.27275141150304,
"volume_molar": 7.482058517085333,
"formula_full": "Ti1 Be1 Cr1",
"formula_reduced": "TiBeCr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.198200611111111,
"spacegroup": 156
},
{
"id": "jvasp-38648",
"created_at": "2022-09-04T14:35:58.541218Z",
"updated_at": "2022-09-04T14:35:58.541243Z",
"structure_string": "Ni1 Ru1 O3\n1.0\n3.713863 0.000000 0.000000\n0.000000 3.713863 0.000000\n-0.000000 -0.000000 3.713863\nNi Ru O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"Ru",
"O"
],
"chemical_system": "Ni-O-Ru",
"density": 6.73498668378816,
"density_atomic": 0.09760956269232199,
"volume": 51.22448930296562,
"volume_molar": 6.169621698831465,
"formula_full": "Ni1 Ru1 O3",
"formula_reduced": "NiRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.70718868,
"spacegroup": 221
},
{
"id": "jvasp-50345",
"created_at": "2022-09-04T14:35:58.542361Z",
"updated_at": "2022-09-04T14:35:58.542385Z",
"structure_string": "Ba3 Mg3 O6\n1.0\n5.945290 -0.000009 0.000060\n-2.972653 5.148794 -0.000007\n-0.000077 0.000112 6.799903\nBa Mg O\n3 3 6\ndirect\n0.000001 0.654800 0.166667 Ba\n0.345208 0.345210 0.500002 Ba\n0.654799 0.000001 0.833346 Ba\n0.000006 0.575469 0.666670 Mg\n0.424531 0.424530 0.000004 Mg\n0.575468 0.000006 0.333342 Mg\n0.297080 0.868147 0.539500 O\n0.131844 0.428912 0.872828 O\n0.571072 0.702927 0.206157 O\n0.428914 0.131848 0.127186 O\n0.702923 0.571067 0.793849 O\n0.868153 0.297079 0.460510 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"O"
],
"chemical_system": "Ba-Mg-O",
"density": 4.634083917710109,
"density_atomic": 0.057650137593289165,
"volume": 208.15214847634422,
"volume_molar": 10.446012813508037,
"formula_full": "Ba3 Mg3 O6",
"formula_reduced": "BaMgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.224973005,
"spacegroup": 152
},
{
"id": "jvasp-67845",
"created_at": "2022-09-04T14:35:58.545265Z",
"updated_at": "2022-09-04T14:35:58.545293Z",
"structure_string": "Sr1 Be1 Re1\n1.0\n-1.622175 1.622175 5.439588\n1.622175 -1.622175 5.439588\n1.622175 1.622175 -5.439588\nSr Be Re\n1 1 1\ndirect\n0.673049 0.673049 0.000000 Sr\n0.934632 0.934632 0.000000 Be\n0.392320 0.392320 0.000000 Re\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Re"
],
"chemical_system": "Be-Re-Sr",
"density": 8.202897099165032,
"density_atomic": 0.0523962068890852,
"volume": 57.25605302594792,
"volume_molar": 11.493467022809412,
"formula_full": "Sr1 Be1 Re1",
"formula_reduced": "SrBeRe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5795101366666664,
"spacegroup": 107
},
{
"id": "jvasp-15435",
"created_at": "2022-09-04T14:35:58.546174Z",
"updated_at": "2022-09-04T14:35:58.546201Z",
"structure_string": "Er1 Mn2 Si2\n1.0\n3.659225 0.000000 -1.283147\n-0.449949 3.631456 -1.283147\n-0.009648 -0.010917 5.831671\nEr Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.249999 0.750000 0.499999 Mn\n0.749999 0.250000 0.499999 Mn\n0.619635 0.619636 0.239272 Si\n0.380363 0.380364 0.760727 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Si"
],
"chemical_system": "Er-Mn-Si",
"density": 7.151618769686506,
"density_atomic": 0.06460736272144557,
"volume": 77.39056029198225,
"volume_molar": 9.321136951471678,
"formula_full": "Er1 Mn2 Si2",
"formula_reduced": "Er(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.317046336551724,
"spacegroup": 139
},
{
"id": "jvasp-65751",
"created_at": "2022-09-04T14:35:58.549728Z",
"updated_at": "2022-09-04T14:35:58.549760Z",
"structure_string": "Ba2 Ge1 Pb1\n1.0\n-0.000000 4.172711 4.172711\n4.172711 -0.000000 4.172711\n4.172711 4.172711 -0.000000\nBa Ge Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Pb"
],
"chemical_system": "Ba-Ge-Pb",
"density": 6.336669156427891,
"density_atomic": 0.02752802636114844,
"volume": 145.3064577722645,
"volume_molar": 21.87639855103932,
"formula_full": "Ba2 Ge1 Pb1",
"formula_reduced": "Ba2GePb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0230221774999999,
"spacegroup": 225
},
{
"id": "jvasp-67569",
"created_at": "2022-09-04T14:35:58.556145Z",
"updated_at": "2022-09-04T14:35:58.556162Z",
"structure_string": "Be1 Co2 Br1\n1.0\n3.064916 -0.000000 0.000000\n-0.000000 3.064916 -0.000000\n0.000000 -0.000000 6.191466\nBe Co Br\n1 2 1\ndirect\n-0.000000 0.000000 0.439858 Be\n-0.000000 0.000000 0.098965 Co\n0.500001 0.500001 0.275219 Co\n0.500001 0.500001 0.685959 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 5.903810176495293,
"density_atomic": 0.06877480161231704,
"volume": 58.16083661786428,
"volume_molar": 8.756318620803526,
"formula_full": "Be1 Co2 Br1",
"formula_reduced": "BeCo2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.17838550125,
"spacegroup": 99
},
{
"id": "jvasp-86182",
"created_at": "2022-09-04T14:35:58.556789Z",
"updated_at": "2022-09-04T14:35:58.556820Z",
"structure_string": "Ag8 Se4\n1.0\n4.550334 0.000000 0.000000\n0.000000 7.085733 0.000000\n0.000000 0.000000 7.544090\nAg Se\n8 4\ndirect\n0.007621 0.231292 0.876531 Ag\n0.698055 0.878414 0.947963 Ag\n0.492379 0.768707 0.376531 Ag\n0.198055 0.621585 0.052037 Ag\n0.801944 0.121586 0.447963 Ag\n0.992378 0.731292 0.623469 Ag\n0.301944 0.378414 0.552037 Ag\n0.507621 0.268708 0.123469 Ag\n0.879018 0.492897 0.329120 Se\n0.120981 0.992896 0.170880 Se\n0.379018 0.007103 0.670880 Se\n0.620981 0.507103 0.829120 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 8.047277903487482,
"density_atomic": 0.049333999621020155,
"volume": 243.2399580853578,
"volume_molar": 12.206877217054377,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2296126288888889,
"spacegroup": 19
}
]
}