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=411",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=409",
"results": [
{
"id": "jvasp-62790",
"created_at": "2022-09-04T14:35:41.137706Z",
"updated_at": "2022-09-04T14:35:41.137727Z",
"structure_string": "Nd6 B6 N12\n1.0\n4.207711 -6.087256 -0.017073\n4.207711 6.087256 -0.017073\n-4.574998 0.000000 5.816289\nNd B N\n6 6 12\ndirect\n0.248169 0.703281 0.794764 Nd\n0.794764 0.248169 0.703281 Nd\n0.294764 0.203280 0.748169 Nd\n0.748169 0.294764 0.203281 Nd\n0.203280 0.748169 0.294764 Nd\n0.703281 0.794764 0.248170 Nd\n0.247292 0.366538 0.127743 B\n0.366538 0.127742 0.247292 B\n0.127742 0.247292 0.366538 B\n0.627742 0.866538 0.747293 B\n0.866538 0.747292 0.627743 B\n0.747292 0.627742 0.866539 B\n0.368899 0.246657 0.124811 N\n0.506926 0.988886 0.748038 N\n0.988886 0.748037 0.506927 N\n0.748037 0.506926 0.988887 N\n0.248037 0.488886 0.006926 N\n0.006926 0.248037 0.488886 N\n0.488886 0.006926 0.248037 N\n0.624810 0.746658 0.868900 N\n0.746658 0.868899 0.624811 N\n0.246657 0.124810 0.368899 N\n0.124810 0.368899 0.246658 N\n0.868899 0.624810 0.746658 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"B",
"N"
],
"chemical_system": "B-N-Nd",
"density": 6.141208724812388,
"density_atomic": 0.08080832613770941,
"volume": 296.9990983243537,
"volume_molar": 7.45237656542641,
"formula_full": "Nd6 B6 N12",
"formula_reduced": "NdBN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.722305145833333,
"spacegroup": 167
},
{
"id": "jvasp-63715",
"created_at": "2022-09-04T14:35:47.963522Z",
"updated_at": "2022-09-04T14:35:47.963550Z",
"structure_string": "Al4 Tl4 Cl16\n1.0\n7.005047 -0.000000 0.000000\n-0.000000 9.269492 0.000000\n0.000000 0.000000 10.643140\nAl Tl Cl\n4 4 16\ndirect\n0.750000 0.688160 0.434425 Al\n0.250000 0.188160 0.065575 Al\n0.250000 0.311840 0.565575 Al\n0.750000 0.811840 0.934424 Al\n0.250000 0.704845 0.189761 Tl\n0.750000 0.204845 0.310239 Tl\n0.750000 0.295155 0.810239 Tl\n0.250000 0.795155 0.689761 Tl\n0.250000 0.059228 0.897470 Cl\n0.750000 0.559227 0.602530 Cl\n0.750000 0.940258 0.765555 Cl\n0.250000 0.440258 0.734445 Cl\n0.250000 0.059742 0.234445 Cl\n0.750000 0.559742 0.265555 Cl\n0.498320 0.326370 0.069038 Cl\n0.501680 0.673630 0.930962 Cl\n0.998321 0.673630 0.930962 Cl\n0.001680 0.173630 0.569038 Cl\n0.250000 0.440772 0.397470 Cl\n0.498320 0.173630 0.569038 Cl\n0.001680 0.326370 0.069038 Cl\n0.998321 0.826370 0.430962 Cl\n0.501680 0.826370 0.430962 Cl\n0.750000 0.940772 0.102530 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Tl",
"Cl"
],
"chemical_system": "Al-Cl-Tl",
"density": 3.586633558219682,
"density_atomic": 0.03472757671237125,
"volume": 691.0934269551354,
"volume_molar": 17.34109123097752,
"formula_full": "Al4 Tl4 Cl16",
"formula_reduced": "AlTlCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0188036116666665,
"spacegroup": 62
},
{
"id": "jvasp-52577",
"created_at": "2022-09-04T14:35:47.399241Z",
"updated_at": "2022-09-04T14:35:47.399263Z",
"structure_string": "Li8 Ag4 F12\n1.0\n2.931687 0.000000 0.000000\n-0.000000 7.414250 0.000000\n0.000000 0.000000 12.357755\nLi Ag F\n8 4 12\ndirect\n0.250000 0.854235 0.979318 Li\n0.750001 0.530583 0.916615 Li\n0.250000 0.030583 0.583385 Li\n0.750001 0.354235 0.520682 Li\n0.250000 0.645765 0.479318 Li\n0.750001 0.969417 0.416615 Li\n0.250000 0.469417 0.083385 Li\n0.750001 0.145765 0.020682 Li\n0.250000 0.174144 0.263203 Ag\n0.750001 0.674144 0.236798 Ag\n0.250000 0.325856 0.763203 Ag\n0.750001 0.825856 0.736798 Ag\n0.250000 0.030740 0.094458 F\n0.250000 0.341047 0.952654 F\n0.750001 0.969260 0.905542 F\n0.250000 0.642379 0.848659 F\n0.750001 0.142379 0.651342 F\n0.250000 0.469260 0.594458 F\n0.750001 0.841047 0.547346 F\n0.250000 0.158952 0.452654 F\n0.750001 0.530740 0.405542 F\n0.250000 0.857621 0.348659 F\n0.750001 0.357621 0.151342 F\n0.750001 0.658952 0.047346 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.419972612216381,
"density_atomic": 0.08934841111123153,
"volume": 268.61137989484723,
"volume_molar": 6.740064747769184,
"formula_full": "Li8 Ag4 F12",
"formula_reduced": "Li2AgF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0667616666666669,
"spacegroup": 62
},
{
"id": "jvasp-62642",
"created_at": "2022-09-04T14:35:42.870707Z",
"updated_at": "2022-09-04T14:35:42.870728Z",
"structure_string": "Dy4 Mn4 B16\n1.0\n3.426286 0.000000 0.000000\n0.000000 5.899502 -0.000000\n0.000000 -0.000000 11.405537\nDy Mn B\n4 4 16\ndirect\n0.000000 0.125630 0.849513 Dy\n0.000000 0.874369 0.150487 Dy\n0.000000 0.374369 0.349513 Dy\n0.000000 0.625630 0.650487 Dy\n0.000000 0.127128 0.583552 Mn\n0.000000 0.872872 0.416448 Mn\n0.000000 0.372872 0.083552 Mn\n0.000000 0.627128 0.916448 Mn\n0.500001 0.525049 0.190779 B\n0.500001 0.474950 0.809221 B\n0.500001 0.887880 0.546283 B\n0.500001 0.112120 0.453717 B\n0.500001 0.612120 0.046283 B\n0.500001 0.387880 0.953718 B\n0.500001 0.861536 0.967850 B\n0.500001 0.780748 0.816432 B\n0.500001 0.638464 0.467849 B\n0.500001 0.361536 0.532151 B\n0.500001 0.025049 0.309221 B\n0.500001 0.219251 0.183569 B\n0.500001 0.719251 0.316431 B\n0.500001 0.280748 0.683569 B\n0.500001 0.138464 0.032151 B\n0.500001 0.974950 0.690779 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"B"
],
"chemical_system": "B-Dy-Mn",
"density": 7.51044216208086,
"density_atomic": 0.10410139268054269,
"volume": 230.54446614032452,
"volume_molar": 5.784880110567034,
"formula_full": "Dy4 Mn4 B16",
"formula_reduced": "DyMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.244439012452108,
"spacegroup": 55
},
{
"id": "jvasp-97799",
"created_at": "2022-09-04T14:35:41.207649Z",
"updated_at": "2022-09-04T14:35:41.207675Z",
"structure_string": "Ba8 Ge16\n1.0\n6.850665 -0.000000 0.000000\n0.000000 9.151330 0.000000\n0.000000 0.000000 11.686962\nBa Ge\n8 16\ndirect\n0.750000 0.985165 0.308454 Ba\n0.750000 0.485165 0.191546 Ba\n0.250000 0.514835 0.808454 Ba\n0.750000 0.155869 0.906986 Ba\n0.250000 0.844131 0.093014 Ba\n0.750000 0.655869 0.593014 Ba\n0.250000 0.344131 0.406986 Ba\n0.250000 0.014835 0.691546 Ba\n0.250000 0.694612 0.541330 Ge\n0.750000 0.305388 0.458670 Ge\n0.250000 0.194612 0.958670 Ge\n0.750000 0.805388 0.041330 Ge\n0.938040 0.307824 0.649511 Ge\n0.250000 0.426319 0.092642 Ge\n0.750000 0.573681 0.907358 Ge\n0.938040 0.807824 0.850489 Ge\n0.438040 0.192176 0.149511 Ge\n0.561961 0.307824 0.649511 Ge\n0.061961 0.692176 0.350489 Ge\n0.061961 0.192176 0.149511 Ge\n0.561961 0.807824 0.850489 Ge\n0.438040 0.692176 0.350489 Ge\n0.750000 0.073681 0.592642 Ge\n0.250000 0.926319 0.407358 Ge\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.123932737233727,
"density_atomic": 0.03275613576350601,
"volume": 732.6871574008641,
"volume_molar": 18.38477164546783,
"formula_full": "Ba8 Ge16",
"formula_reduced": "BaGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.29250865,
"spacegroup": 62
},
{
"id": "jvasp-61409",
"created_at": "2022-09-04T14:35:47.128856Z",
"updated_at": "2022-09-04T14:35:47.128884Z",
"structure_string": "Li6 Al2 B4 O12\n1.0\n4.905678 -0.002843 -0.022757\n0.041431 6.151065 -0.284205\n0.111201 2.386319 7.515209\nLi Al B O\n6 2 4 12\ndirect\n0.679817 0.394927 0.428058 Li\n0.320183 0.605075 0.571942 Li\n0.175345 0.469663 0.238363 Li\n0.824655 0.530339 0.761636 Li\n0.831676 0.236682 0.111364 Li\n0.168324 0.763320 0.888635 Li\n0.650594 0.051822 0.771599 Al\n0.349406 0.948180 0.228400 Al\n0.659687 0.677320 0.070811 B\n0.340313 0.322681 0.929188 B\n0.164900 0.172555 0.588469 B\n0.835100 0.827446 0.411531 B\n0.310106 0.013055 0.715755 O\n0.775646 0.793134 0.909170 O\n0.224354 0.206868 0.090829 O\n0.880288 0.163623 0.600861 O\n0.119712 0.836379 0.399138 O\n0.294036 0.335013 0.466156 O\n0.705965 0.664989 0.533844 O\n0.792270 0.509311 0.182722 O\n0.207730 0.490690 0.817277 O\n0.388482 0.740058 0.104009 O\n0.611518 0.259944 0.895991 O\n0.689894 -0.013054 0.284245 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Li-O",
"density": 2.3874377385492096,
"density_atomic": 0.10429619672285018,
"volume": 230.1138560572445,
"volume_molar": 5.774075133346272,
"formula_full": "Li6 Al2 B4 O12",
"formula_reduced": "Li3Al(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.539367413888889,
"spacegroup": 2
},
{
"id": "jvasp-48402",
"created_at": "2022-09-04T14:35:45.130451Z",
"updated_at": "2022-09-04T14:35:45.130472Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.508528 0.005553 0.004086\n-0.014911 7.561785 -0.025607\n-0.031792 -0.668699 7.582835\nMn O F\n8 8 8\ndirect\n0.488392 0.951966 0.315661 Mn\n0.483546 0.050996 0.719022 Mn\n0.518220 0.461318 0.811088 Mn\n0.525626 0.563429 0.211571 Mn\n-0.000208 0.184776 0.037085 Mn\n0.044102 0.300731 0.431704 Mn\n0.039060 0.703158 0.535089 Mn\n0.003823 0.782370 0.936069 Mn\n0.728748 0.602501 0.987841 O\n0.733247 0.743577 0.354723 O\n0.713206 0.231725 0.857497 O\n0.274437 0.915167 0.526892 O\n0.245158 0.518817 0.392988 O\n0.231203 0.646820 0.760155 O\n0.224611 0.141786 0.257894 O\n0.204924 0.004033 0.897724 O\n0.266375 0.286373 0.665169 F\n0.256678 0.413818 0.037440 F\n0.240324 0.769791 0.153422 F\n0.743498 0.119051 0.498878 F\n0.782506 0.476852 0.581352 F\n0.762409 0.836789 0.717241 F\n0.734748 0.962710 0.095888 F\n0.755379 0.331449 0.217598 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.622832394805122,
"density_atomic": 0.0928640179357035,
"volume": 258.4424035649302,
"volume_molar": 6.484902219253065,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.22987700795977,
"spacegroup": 1
},
{
"id": "jvasp-14117",
"created_at": "2022-09-04T14:35:44.567256Z",
"updated_at": "2022-09-04T14:35:44.567290Z",
"structure_string": "Na4 B4 H16\n1.0\n4.239331 0.000000 0.000000\n-0.000000 7.059607 0.000000\n0.000000 0.000000 7.326965\nNa B H\n4 4 16\ndirect\n0.250000 0.250221 0.517411 Na\n0.750000 0.749779 0.482589 Na\n0.750000 0.750222 0.982590 Na\n0.250000 0.249779 0.017411 Na\n0.250000 0.940642 0.765339 B\n0.750000 0.059358 0.234662 B\n0.750000 0.440642 0.734662 B\n0.250000 0.559359 0.265339 B\n0.250000 0.916483 0.598360 H\n0.750000 0.083517 0.401640 H\n0.250000 0.786004 0.840094 H\n0.750000 0.213997 0.159907 H\n0.750000 0.286004 0.659907 H\n0.250000 0.713997 0.340093 H\n0.012870 0.029128 0.807822 H\n0.987130 0.970873 0.192179 H\n0.987130 0.529128 0.692179 H\n0.487130 0.470872 0.307822 H\n0.250000 0.583518 0.098360 H\n0.487130 0.029128 0.807822 H\n0.012870 0.470872 0.307822 H\n0.512870 0.529128 0.692179 H\n0.512870 0.970873 0.192179 H\n0.750000 0.416483 0.901641 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"B",
"H"
],
"chemical_system": "B-H-Na",
"density": 1.1459680162609505,
"density_atomic": 0.1094483636294641,
"volume": 219.28148767259475,
"volume_molar": 5.502266603444043,
"formula_full": "Na4 B4 H16",
"formula_reduced": "NaBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.541220263888889,
"spacegroup": 62
},
{
"id": "jvasp-89202",
"created_at": "2022-09-04T14:36:19.233304Z",
"updated_at": "2022-09-04T14:36:19.233335Z",
"structure_string": "Hg8 Se4 O12\n1.0\n5.149390 0.000000 0.000000\n0.000000 8.392357 -2.114317\n0.000000 0.001142 10.492048\nHg Se O\n8 4 12\ndirect\n0.730504 0.158812 0.593419 Hg\n0.269496 0.841188 0.406581 Hg\n0.769496 0.658812 0.093419 Hg\n0.797423 0.107898 0.341176 Hg\n0.702577 0.607899 0.841176 Hg\n0.202577 0.892102 0.658824 Hg\n0.297423 0.392102 0.158824 Hg\n0.230504 0.341188 0.906581 Hg\n0.243779 0.464395 0.620049 Se\n0.756221 0.535605 0.379950 Se\n0.743779 0.035604 0.879951 Se\n0.256221 0.964396 0.120049 Se\n0.165553 0.309773 0.694790 O\n0.653328 0.870442 0.762471 O\n0.153329 0.629558 0.737529 O\n0.346671 0.129558 0.237529 O\n0.419279 0.525086 0.361176 O\n0.080721 0.025086 0.861176 O\n0.580721 0.474914 0.638824 O\n0.334447 0.809773 0.194789 O\n0.834447 0.690227 0.305210 O\n0.665553 0.190227 0.805211 O\n0.846671 0.370442 0.262471 O\n0.919279 0.974914 0.138824 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 7.736504044474261,
"density_atomic": 0.05292968737603217,
"volume": 453.43173537933603,
"volume_molar": 11.377623897939309,
"formula_full": "Hg8 Se4 O12",
"formula_reduced": "Hg2SeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8854171777777776,
"spacegroup": 14
},
{
"id": "jvasp-97767",
"created_at": "2022-09-04T14:36:14.697492Z",
"updated_at": "2022-09-04T14:36:14.697508Z",
"structure_string": "Ca8 P4 N12\n1.0\n5.199431 0.000000 0.000000\n-2.599716 5.160136 0.000000\n0.000000 -0.000000 11.263752\nCa P N\n8 4 12\ndirect\n0.051481 0.102961 0.857722 Ca\n0.448519 0.897039 0.357722 Ca\n0.551480 0.102961 0.642277 Ca\n0.362998 0.725998 0.925916 Ca\n0.862998 0.725998 0.574084 Ca\n0.137001 0.274003 0.425916 Ca\n0.637001 0.274003 0.074084 Ca\n0.948519 0.897039 0.142277 Ca\n0.744875 0.489750 0.835001 P\n0.755125 0.510250 0.335002 P\n0.255125 0.510250 0.164998 P\n0.244875 0.489750 0.664998 P\n0.540784 0.581569 0.750000 N\n0.160025 0.320051 0.049350 N\n0.839974 0.679950 0.950650 N\n0.339974 0.679950 0.549349 N\n0.911408 0.822818 0.359199 N\n0.411408 0.822818 0.140801 N\n0.588591 0.177183 0.859199 N\n0.040784 0.581569 0.750000 N\n0.459216 0.418432 0.250000 N\n0.959216 0.418432 0.250000 N\n0.660025 0.320051 0.450650 N\n0.088591 0.177183 0.640801 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"P",
"N"
],
"chemical_system": "Ca-N-P",
"density": 3.3660894416438194,
"density_atomic": 0.0794165825706097,
"volume": 302.2038876913581,
"volume_molar": 7.582976457902458,
"formula_full": "Ca8 P4 N12",
"formula_reduced": "Ca2PN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.0310576816666663,
"spacegroup": 64
},
{
"id": "jvasp-91379",
"created_at": "2022-09-04T14:36:19.220127Z",
"updated_at": "2022-09-04T14:36:19.220162Z",
"structure_string": "Li8 Y8 Sn8\n1.0\n9.307578 0.000000 -0.000000\n-4.653790 8.060599 0.000000\n0.000000 -0.000000 7.344808\nLi Y Sn\n8 8 8\ndirect\n0.166798 0.833202 0.196834 Li\n0.333597 0.166798 0.696834 Li\n0.833202 0.666403 0.696834 Li\n0.166798 0.333597 0.196834 Li\n0.666403 0.833202 0.196834 Li\n0.833202 0.166798 0.696834 Li\n0.333333 0.666667 0.808661 Li\n0.666667 0.333333 0.308661 Li\n0.000000 0.000000 0.485648 Y\n0.000000 0.000000 0.985649 Y\n0.488455 0.511545 0.490750 Y\n0.976911 0.488455 0.990751 Y\n0.511545 0.023089 0.990751 Y\n0.488455 0.976911 0.490750 Y\n0.023089 0.511545 0.490750 Y\n0.511545 0.488455 0.990751 Y\n0.166732 0.833268 0.754516 Sn\n0.333464 0.166732 0.254516 Sn\n0.833268 0.666536 0.254516 Sn\n0.166732 0.333464 0.754516 Sn\n0.666536 0.833268 0.754516 Sn\n0.833268 0.166732 0.254516 Sn\n0.333333 0.666667 0.224393 Sn\n0.666667 0.333333 0.724393 Sn\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Y",
"Sn"
],
"chemical_system": "Li-Sn-Y",
"density": 5.172458570157639,
"density_atomic": 0.043553874316558286,
"volume": 551.041678303133,
"volume_molar": 13.826877297367105,
"formula_full": "Li8 Y8 Sn8",
"formula_reduced": "LiYSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9484123833333332,
"spacegroup": 186
},
{
"id": "jvasp-98870",
"created_at": "2022-09-04T14:36:18.784132Z",
"updated_at": "2022-09-04T14:36:18.784157Z",
"structure_string": "K4 C8 N12\n1.0\n3.745156 0.000002 0.000027\n0.000003 8.704173 -0.000089\n0.000087 -0.000026 11.971020\nK C N\n4 8 12\ndirect\n0.250002 0.622835 0.869658 K\n0.749992 0.377164 0.130342 K\n0.750010 0.877163 0.369658 K\n0.249999 0.122835 0.630343 K\n0.750004 0.485518 0.624584 C\n0.249997 0.246851 0.368511 C\n0.249998 0.514483 0.375416 C\n0.749997 0.985515 0.875416 C\n0.250002 0.746853 0.131489 C\n0.250004 0.014482 0.124582 C\n0.749998 0.253147 0.868510 C\n0.750004 0.753148 0.631489 C\n0.749999 0.358230 0.591168 N\n0.750003 0.383583 0.895180 N\n0.250010 0.641770 0.408832 N\n0.250010 0.116415 0.395181 N\n0.750000 0.883584 0.604819 N\n0.749991 0.117319 0.823824 N\n0.750011 0.617323 0.676177 N\n0.249992 0.141769 0.091167 N\n0.250020 0.882679 0.176179 N\n0.249980 0.382677 0.323822 N\n0.750001 0.858230 0.908835 N\n0.249990 0.616415 0.104821 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"C",
"N"
],
"chemical_system": "C-K-N",
"density": 1.7895657210468876,
"density_atomic": 0.061501068150060546,
"volume": 390.23712468604293,
"volume_molar": 9.791928727654257,
"formula_full": "K4 C8 N12",
"formula_reduced": "KC2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.893134624999999,
"spacegroup": 62
}
]
}