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=4052",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4050",
"results": [
{
"id": "jvasp-97729",
"created_at": "2022-09-04T14:35:42.071202Z",
"updated_at": "2022-09-04T14:35:42.071235Z",
"structure_string": "Ce8 W4 C8\n1.0\n5.671198 0.000000 0.000000\n0.000000 5.671198 0.000000\n0.000000 0.000000 10.449742\nCe W C\n8 4 8\ndirect\n0.182897 0.182897 0.343707 Ce\n0.317103 0.682898 0.843707 Ce\n0.682898 0.317103 0.843707 Ce\n0.682898 0.317103 0.156292 Ce\n0.317103 0.682898 0.156292 Ce\n0.182897 0.182897 0.656292 Ce\n0.817103 0.817103 0.343707 Ce\n0.817103 0.817103 0.656292 Ce\n0.680164 0.319837 0.500000 W\n0.180163 0.180163 0.000000 W\n0.819837 0.819837 0.000000 W\n0.319837 0.680164 0.500000 W\n0.000000 0.000000 0.144198 C\n0.500000 0.500000 0.644198 C\n0.500000 0.000000 0.500000 C\n0.500000 0.500000 0.355802 C\n0.000000 0.000000 0.855802 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"W",
"C"
],
"chemical_system": "C-Ce-W",
"density": 9.646212736323626,
"density_atomic": 0.059507925039675405,
"volume": 336.08968867029904,
"volume_molar": 10.11989706578559,
"formula_full": "Ce8 W4 C8",
"formula_reduced": "Ce2WC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.125220200000001,
"spacegroup": 136
},
{
"id": "jvasp-22626",
"created_at": "2022-09-04T14:35:42.714053Z",
"updated_at": "2022-09-04T14:35:42.714073Z",
"structure_string": "Te4 F16\n1.0\n5.297738 0.000000 0.000000\n0.000000 6.059494 0.000000\n0.000000 0.000000 9.534491\nTe F\n4 16\ndirect\n0.153569 0.996074 0.619220 Te\n0.346431 0.003926 0.119220 Te\n0.653569 0.503925 0.380780 Te\n0.846432 0.496074 0.880780 Te\n0.789583 0.781096 0.447771 F\n0.588676 0.202047 0.250476 F\n0.289582 0.718903 0.552228 F\n0.945603 0.358536 0.462937 F\n0.866680 0.547703 0.224420 F\n0.088676 0.297953 0.749524 F\n0.445603 0.141464 0.537063 F\n0.366680 0.952296 0.775579 F\n0.911324 0.797953 0.750476 F\n0.133320 0.047703 0.275579 F\n0.411324 0.702046 0.249524 F\n0.554397 0.641463 0.962937 F\n0.054397 0.858536 0.037063 F\n0.710418 0.218903 0.947771 F\n0.633321 0.452296 0.724420 F\n0.210418 0.281096 0.052228 F\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Te",
"F"
],
"chemical_system": "F-Te",
"density": 4.4182357815095505,
"density_atomic": 0.06534398950533779,
"volume": 306.0725271199771,
"volume_molar": 9.216059205427097,
"formula_full": "Te4 F16",
"formula_reduced": "TeF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 19
},
{
"id": "jvasp-5281",
"created_at": "2022-09-04T14:35:42.952146Z",
"updated_at": "2022-09-04T14:35:42.952162Z",
"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 0.8393836025485371,
"density_atomic": 0.07869423182316994,
"volume": 254.14823344284048,
"volume_molar": 7.652582178490624,
"formula_full": "Si4 H16",
"formula_reduced": "SiH4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.85785172,
"spacegroup": 14
},
{
"id": "jvasp-48888",
"created_at": "2022-09-04T14:35:46.850896Z",
"updated_at": "2022-09-04T14:35:46.850922Z",
"structure_string": "Li6 V2 F12\n1.0\n0.000000 5.056707 0.026572\n5.138301 0.000000 0.000000\n0.000000 -5.046197 -7.689993\nLi V F\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.267474 0.532114 0.262757 Li\n0.732527 0.032114 0.237243 Li\n0.500000 0.500000 0.000000 Li\n0.267473 0.967886 0.762757 Li\n0.732526 0.467886 0.737243 Li\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.269077 0.323811 0.440423 F\n0.730923 0.823810 0.059577 F\n0.076927 0.817601 0.414886 F\n0.368791 0.594675 0.734621 F\n0.631209 0.405324 0.265379 F\n0.076927 0.682399 0.914886 F\n0.269077 0.176189 0.940423 F\n0.730923 0.676189 0.559577 F\n0.923073 0.317601 0.085114 F\n0.368791 0.905324 0.234621 F\n0.923073 0.182399 0.585113 F\n0.631208 0.094675 0.765379 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0981773216054176,
"density_atomic": 0.10044234638279935,
"volume": 199.11920340627347,
"volume_molar": 5.995619354658252,
"formula_full": "Li6 V2 F12",
"formula_reduced": "Li3VF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.3577155895000001,
"spacegroup": 14
},
{
"id": "jvasp-50363",
"created_at": "2022-09-04T14:35:45.727259Z",
"updated_at": "2022-09-04T14:35:45.727290Z",
"structure_string": "Li10 Bi2 S8\n1.0\n5.660617 0.000000 0.000000\n0.000000 7.749389 0.000000\n0.000000 0.000000 9.232272\nLi Bi S\n10 2 8\ndirect\n0.243810 0.734761 0.704019 Li\n0.756191 0.765240 0.795981 Li\n0.233009 0.500000 0.000000 Li\n0.756191 0.234761 0.204019 Li\n0.756191 0.765240 0.204019 Li\n0.756191 0.234761 0.795981 Li\n0.243810 0.734761 0.295981 Li\n0.766992 0.000000 0.500000 Li\n0.243810 0.265240 0.704019 Li\n0.243810 0.265240 0.295981 Li\n0.819678 0.500000 0.500000 Bi\n0.180323 0.000000 0.000000 Bi\n0.486263 0.250128 0.000000 S\n0.987775 0.500000 0.784947 S\n0.513737 0.750128 0.500000 S\n0.513737 0.249872 0.500000 S\n0.987775 0.500000 0.215052 S\n0.012225 0.000000 0.284948 S\n0.486263 0.749872 0.000000 S\n0.012225 0.000000 0.715052 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Bi",
"S"
],
"chemical_system": "Bi-Li-S",
"density": 3.0501307786401806,
"density_atomic": 0.04938444430749047,
"volume": 404.9858266192228,
"volume_molar": 12.194408268529573,
"formula_full": "Li10 Bi2 S8",
"formula_reduced": "Li5BiS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.3198044299999998,
"spacegroup": 59
},
{
"id": "jvasp-60861",
"created_at": "2022-09-04T14:35:43.028153Z",
"updated_at": "2022-09-04T14:35:43.028188Z",
"structure_string": "V12 As8\n1.0\n9.441815 -0.000000 0.000000\n0.000000 9.441815 0.000000\n0.000000 0.000000 3.317131\nV As\n12 8\ndirect\n0.178318 0.129873 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.601137 0.286136 0.000000 V\n0.398863 0.713864 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.286136 0.398863 0.000000 V\n0.870127 0.178318 0.500000 V\n0.129873 0.821682 0.500000 V\n0.821682 0.870127 0.500000 V\n0.713864 0.601137 0.000000 V\n0.285860 0.957698 0.000000 As\n0.409834 0.245551 0.500000 As\n0.590166 0.754448 0.500000 As\n0.245551 0.590166 0.500000 As\n0.754448 0.409834 0.500000 As\n0.042301 0.285860 0.000000 As\n0.957698 0.714140 0.000000 As\n0.714140 0.042301 0.000000 As\n",
"nsites": 20,
"nelements": 2,
"elements": [
"V",
"As"
],
"chemical_system": "As-V",
"density": 6.798319462408909,
"density_atomic": 0.06763264918625629,
"volume": 295.71516480037906,
"volume_molar": 8.9041917364724,
"formula_full": "V12 As8",
"formula_reduced": "V3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.68451522,
"spacegroup": 83
},
{
"id": "jvasp-12119",
"created_at": "2022-09-04T14:35:43.596083Z",
"updated_at": "2022-09-04T14:35:43.596111Z",
"structure_string": "Cr2 Ag2 P4 S12\n1.0\n5.948020 0.002108 0.000000\n-1.860204 6.500327 0.000000\n0.000000 0.000000 10.642941\nCr Ag P S\n2 2 4 12\ndirect\n0.250000 0.000000 0.081813 Cr\n0.750000 0.000000 0.918187 Cr\n0.250000 0.000000 0.438634 Ag\n0.750000 0.000000 0.561366 Ag\n0.202089 0.828549 0.754444 P\n0.797912 0.171452 0.245555 P\n0.702089 0.828549 0.245555 P\n0.297912 0.171452 0.754444 P\n0.016877 0.712433 0.604061 S\n0.492020 0.225778 0.925566 S\n0.507981 0.774223 0.074434 S\n0.516877 0.712433 0.395939 S\n0.983603 0.239074 0.768532 S\n0.483603 0.239074 0.231468 S\n0.483124 0.287568 0.604061 S\n0.516398 0.760927 0.768532 S\n0.983124 0.287568 0.395939 S\n0.007980 0.774223 0.925566 S\n0.992021 0.225778 0.074434 S\n0.016398 0.760926 0.231468 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cr",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-Cr-P-S",
"density": 3.3425489580243153,
"density_atomic": 0.04859780706656187,
"volume": 411.5412033429214,
"volume_molar": 12.391795275354276,
"formula_full": "Cr2 Ag2 P4 S12",
"formula_reduced": "CrAg(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5779535660000006,
"spacegroup": 13
},
{
"id": "jvasp-48917",
"created_at": "2022-09-04T14:35:46.722409Z",
"updated_at": "2022-09-04T14:35:46.722420Z",
"structure_string": "Li1 Mn7 O9 F3\n1.0\n4.286152 2.474611 3.356852\n-4.286152 2.474612 3.356852\n0.000000 -4.949223 3.356852\nLi Mn O F\n1 7 9 3\ndirect\n0.535232 0.535232 0.535232 Li\n0.084089 0.754695 0.548581 Mn\n0.419418 0.942281 0.240333 Mn\n0.240333 0.419418 0.942281 Mn\n0.981508 0.981508 0.981508 Mn\n0.754695 0.548581 0.084089 Mn\n0.548581 0.084089 0.754695 Mn\n0.942281 0.240333 0.419418 Mn\n0.872409 0.058069 0.689815 O\n0.959204 0.300950 0.089003 O\n0.849037 0.573350 0.407932 O\n0.300950 0.089003 0.959204 O\n0.058069 0.689815 0.872408 O\n0.689815 0.872409 0.058069 O\n0.407932 0.849037 0.573350 O\n0.089003 0.959204 0.300950 O\n0.573350 0.407933 0.849037 O\n0.389621 0.583758 0.220707 F\n0.220707 0.389621 0.583758 F\n0.583758 0.220707 0.389621 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.60550549493669,
"density_atomic": 0.09362071550902791,
"volume": 213.627933639018,
"volume_molar": 6.432487433210527,
"formula_full": "Li1 Mn7 O9 F3",
"formula_reduced": "LiMn7(O3F)3",
"formula_anonymous": "AB3C7D9",
"energy_above_hull": 3.166366651857758,
"spacegroup": 146
},
{
"id": "jvasp-61162",
"created_at": "2022-09-04T14:35:40.949293Z",
"updated_at": "2022-09-04T14:35:40.949308Z",
"structure_string": "B16 Mo4\n1.0\n2.570089 -4.451525 -0.000000\n2.570089 4.451525 0.000000\n-0.000000 0.000000 7.088025\nB Mo\n16 4\ndirect\n0.665741 0.665741 0.000000 B\n0.666667 0.333333 0.130445 B\n0.333333 0.666667 0.630445 B\n0.333333 0.666667 0.869554 B\n0.666667 0.333333 0.369554 B\n0.334259 0.000000 0.500000 B\n0.000000 0.334259 0.500000 B\n0.665741 0.000001 0.000000 B\n0.665741 0.665741 0.500000 B\n0.334259 0.334259 0.000000 B\n0.665741 0.000001 0.500000 B\n0.000001 0.665741 0.500000 B\n0.334259 0.334259 0.500000 B\n0.334259 0.000000 0.000000 B\n0.000000 0.334259 0.000000 B\n0.000001 0.665741 0.000000 B\n0.000000 0.000000 0.750000 Mo\n0.666667 0.333333 0.750000 Mo\n0.333333 0.666667 0.250000 Mo\n0.000000 0.000000 0.250000 Mo\n",
"nsites": 20,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 5.700148714426304,
"density_atomic": 0.12331553168133896,
"volume": 162.1855716576094,
"volume_molar": 4.883521708815952,
"formula_full": "B16 Mo4",
"formula_reduced": "B4Mo",
"formula_anonymous": "AB4",
"energy_above_hull": 5.151123246666668,
"spacegroup": 194
},
{
"id": "jvasp-50369",
"created_at": "2022-09-04T14:35:44.626911Z",
"updated_at": "2022-09-04T14:35:44.626931Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.425372 0.000918 0.000984\n2.711705 4.767146 0.000206\n2.710510 1.483828 9.754398\nHf N O\n8 8 4\ndirect\n0.417737 0.438458 0.713916 Hf\n0.907498 0.956571 0.211991 Hf\n0.326627 0.294198 0.036099 Hf\n0.170476 0.164673 0.463861 Hf\n0.820721 0.812239 0.534182 Hf\n0.049591 0.086034 0.784238 Hf\n0.679076 0.672459 0.963079 Hf\n0.565203 0.578282 0.285023 Hf\n0.624205 0.333979 0.121073 N\n0.587581 0.868836 0.374874 N\n0.081844 0.381905 0.873219 N\n0.329834 0.916784 0.127034 N\n0.675055 0.076555 0.881072 N\n0.883280 0.174188 0.367022 N\n0.835128 0.422065 0.628918 N\n0.136724 0.828635 0.619175 N\n0.934297 0.625382 0.124044 O\n0.382269 0.690604 0.865119 O\n0.444636 0.125340 0.624053 O\n0.188603 0.560110 0.382991 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.558857957080523,
"density_atomic": 0.07928687111633831,
"volume": 252.24857177998396,
"volume_molar": 7.5953820288401355,
"formula_full": "Hf8 N8 O4",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.5664172,
"spacegroup": 5
},
{
"id": "jvasp-43535",
"created_at": "2022-09-04T14:35:43.415502Z",
"updated_at": "2022-09-04T14:35:43.415534Z",
"structure_string": "Na10 Co2 O8\n1.0\n5.889199 0.000000 0.000000\n0.000000 6.049138 0.000000\n0.000000 0.000000 7.603227\nNa Co O\n10 2 8\ndirect\n0.929812 0.065491 0.315735 Na\n0.247532 0.386286 0.199013 Na\n0.247532 0.386286 0.800988 Na\n0.429812 0.934509 0.184265 Na\n0.429812 0.934509 0.815735 Na\n0.249570 0.670344 0.500000 Na\n0.747532 0.613715 0.300987 Na\n0.747532 0.613715 0.699013 Na\n0.929812 0.065491 0.684265 Na\n0.749570 0.329657 0.000000 Na\n0.996171 0.823537 0.000000 Co\n0.496171 0.176464 0.500000 Co\n0.102980 0.729212 0.776804 O\n0.686087 0.745896 0.000000 O\n0.599567 0.871731 0.500000 O\n0.602980 0.270788 0.276804 O\n0.602980 0.270788 0.723196 O\n0.186087 0.254104 0.500000 O\n0.099567 0.128270 0.000000 O\n0.102980 0.729212 0.223196 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 2.9166793675678715,
"density_atomic": 0.07383840670844172,
"volume": 270.86174921097614,
"volume_molar": 8.155837901241588,
"formula_full": "Na10 Co2 O8",
"formula_reduced": "Na5CoO4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.9832929900000004,
"spacegroup": 31
},
{
"id": "jvasp-50873",
"created_at": "2022-09-04T14:36:08.276010Z",
"updated_at": "2022-09-04T14:36:08.276027Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 5.828242 -0.076199\n5.048354 0.000000 0.000000\n0.000000 -2.035963 -8.103081\nLi H Se O\n4 4 2 10\ndirect\n0.322897 0.962099 -0.003422 Li\n0.860234 0.458838 0.421623 Li\n0.139767 0.958838 0.578377 Li\n0.677103 0.462100 0.003423 Li\n0.331511 0.911484 0.351263 H\n0.513842 0.598972 0.511965 H\n0.486158 0.098972 0.488035 H\n0.668489 0.411485 0.648738 H\n0.878533 0.961672 0.202713 Se\n0.121467 0.461672 0.797287 Se\n0.400506 0.926547 0.471574 O\n0.134932 0.894556 0.155164 O\n0.599495 0.426548 0.528426 O\n0.652657 0.828754 0.066310 O\n0.168034 0.787949 0.789558 O\n0.110363 0.338067 0.609786 O\n0.889637 0.838067 0.390214 O\n0.831966 0.287949 0.210442 O\n0.347343 0.328755 0.933690 O\n0.865068 0.394556 0.844836 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-Li-O-Se",
"density": 2.427699825635154,
"density_atomic": 0.08361190764624182,
"volume": 239.2003790251873,
"volume_molar": 7.202491761675146,
"formula_full": "Li4 H4 Se2 O10",
"formula_reduced": "Li2H2SeO5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.2572120866666667,
"spacegroup": 4
}
]
}