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=nelements&page=4339",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4337",
"results": [
{
"id": "jvasp-12493",
"created_at": "2022-09-04T14:38:03.233246Z",
"updated_at": "2022-09-04T14:38:03.233261Z",
"structure_string": "Pb4 Cl2 O2 F2\n1.0\n5.261376 -0.000000 -2.399962\n0.000000 5.796715 -0.000000\n-0.015164 0.000000 6.933930\nPb Cl O F\n4 2 2 2\ndirect\n0.895888 0.221195 0.291774 Pb\n0.104114 0.778804 0.708227 Pb\n0.604114 0.221195 0.708227 Pb\n0.395888 0.778804 0.291773 Pb\n0.750001 0.779527 0.000000 Cl\n0.250000 0.220473 0.000000 Cl\n0.750001 0.000000 0.500001 O\n0.250001 0.000000 0.500000 O\n0.250001 0.500000 0.500000 F\n0.750001 0.500000 0.500001 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-O-Pb",
"density": 7.621841672431311,
"density_atomic": 0.047333945942483656,
"volume": 211.26487134943667,
"volume_molar": 12.722667929095985,
"formula_full": "Pb4 Cl2 O2 F2",
"formula_reduced": "Pb2ClOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2689298979999999,
"spacegroup": 67
},
{
"id": "jvasp-46406",
"created_at": "2022-09-04T14:38:03.024781Z",
"updated_at": "2022-09-04T14:38:03.024798Z",
"structure_string": "Li8 Mn2 B4 O12\n1.0\n3.291963 0.000000 0.000000\n0.000000 7.936631 -0.000000\n0.000000 0.000000 9.293771\nLi Mn B O\n8 2 4 12\ndirect\n0.499999 0.832066 0.944944 Li\n0.000000 0.994747 0.797470 Li\n0.499999 0.494747 0.702530 Li\n0.000000 0.332066 0.555056 Li\n0.000000 0.667934 0.444944 Li\n0.499999 0.505253 0.297470 Li\n0.000000 0.005253 0.202530 Li\n0.499999 0.167934 0.055056 Li\n0.000000 0.500000 0.000000 Mn\n0.499999 0.000000 0.500000 Mn\n0.499999 0.765224 0.202128 B\n0.000000 0.265224 0.297872 B\n0.499999 0.234776 0.797872 B\n0.000000 0.734776 0.702128 B\n0.000000 0.247035 0.149428 O\n0.499999 0.380987 0.884991 O\n0.000000 0.752965 0.850571 O\n0.499999 0.079932 0.862563 O\n0.000000 0.579932 0.637437 O\n0.499999 0.252965 0.649428 O\n0.000000 0.880987 0.615009 O\n0.000000 0.119013 0.384991 O\n0.499999 0.747034 0.350572 O\n0.000000 0.420068 0.362563 O\n0.499999 0.920068 0.137437 O\n0.499999 0.619013 0.115009 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 2.739815182224096,
"density_atomic": 0.10707553338488532,
"volume": 242.81924337040132,
"volume_molar": 5.624198703127899,
"formula_full": "Li8 Mn2 B4 O12",
"formula_reduced": "Li4Mn(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.6986041083112293,
"spacegroup": 58
},
{
"id": "jvasp-23351",
"created_at": "2022-09-04T14:37:46.168405Z",
"updated_at": "2022-09-04T14:37:46.168438Z",
"structure_string": "Na4 Mg2 Al2 F14\n1.0\n6.159731 0.000000 3.517823\n2.140710 5.939922 3.403377\n-0.011971 0.000514 7.172736\nNa Mg Al F\n4 2 2 14\ndirect\n0.411592 0.500000 0.500000 Na\n0.911592 -0.000000 -0.000000 Na\n0.911432 0.500722 0.999278 Na\n0.411431 0.499277 0.000722 Na\n0.411316 0.999974 0.500026 Mg\n0.911316 0.000025 0.499975 Mg\n0.911310 0.500000 0.500000 Al\n0.411310 -0.000000 -0.000000 Al\n0.998306 0.635609 0.190415 F\n0.824330 0.364390 0.809585 F\n0.498306 0.690415 0.135609 F\n0.210444 0.318467 0.455879 F\n0.161307 0.886347 0.613653 F\n0.112256 0.043955 0.181607 F\n0.337819 0.956044 0.818394 F\n0.612256 0.681607 0.543956 F\n0.837818 0.318392 0.456045 F\n0.484789 0.044122 0.181533 F\n0.710444 0.955877 0.818468 F\n0.984789 0.681532 0.544122 F\n0.661307 0.113652 0.386348 F\n0.324330 0.309584 0.864391 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Mg",
"Al",
"F"
],
"chemical_system": "Al-F-Mg-Na",
"density": 2.911107923216295,
"density_atomic": 0.08375158093395922,
"volume": 262.68160856984537,
"volume_molar": 7.190480099412868,
"formula_full": "Na4 Mg2 Al2 F14",
"formula_reduced": "Na2MgAlF7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 0.0,
"spacegroup": 74
},
{
"id": "jvasp-28866",
"created_at": "2022-09-04T14:37:45.356936Z",
"updated_at": "2022-09-04T14:37:45.356949Z",
"structure_string": "Te6 Mo1 W3 Se2\n1.0\n3.504845 -0.000009 0.000030\n-1.752431 3.035300 0.000002\n0.000320 0.000202 37.698000\nTe Mo W Se\n6 1 3 2\ndirect\n0.333312 0.666638 0.326239 Te\n0.333313 0.666655 0.708835 Te\n0.666675 0.333328 0.419735 Te\n0.666675 0.333364 0.517549 Te\n0.333331 0.666642 0.228874 Te\n0.333374 0.666734 0.611091 Te\n0.666663 0.333323 0.277553 Mo\n0.333324 0.666657 0.096715 W\n0.333336 0.666666 0.468649 W\n0.666675 0.333355 0.660009 W\n0.666664 0.333317 0.053729 Se\n0.666646 0.333314 0.139770 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.504765568364383,
"density_atomic": 0.02992217383571702,
"volume": 401.0403811529239,
"volume_molar": 20.126013547891326,
"formula_full": "Te6 Mo1 W3 Se2",
"formula_reduced": "Te6MoW3Se2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.851737436111111,
"spacegroup": 156
},
{
"id": "jvasp-28501",
"created_at": "2022-09-04T14:37:44.974397Z",
"updated_at": "2022-09-04T14:37:44.974417Z",
"structure_string": "Te4 Mo2 W1 S2\n1.0\n3.438594 0.000000 0.000000\n-1.719297 2.974624 -0.137883\n0.000000 -1.042249 20.654445\nTe Mo W S\n4 2 1 2\ndirect\n0.528847 0.057693 -0.064953 Te\n0.743659 0.487320 0.577475 Te\n0.589609 0.179219 0.116074 Te\n0.804733 0.609469 0.759428 Te\n0.225859 0.451719 0.025462 Mo\n0.666561 0.333125 0.346966 Mo\n0.440873 0.881747 0.668473 W\n0.357545 0.715094 0.419410 S\n0.308901 0.617804 0.274506 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 7.486476868144546,
"density_atomic": 0.04270050593088938,
"volume": 210.77033641162166,
"volume_molar": 14.103207043370432,
"formula_full": "Te4 Mo2 W1 S2",
"formula_reduced": "Te4Mo2WS2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.558463651851852,
"spacegroup": 160
},
{
"id": "jvasp-29154",
"created_at": "2022-09-04T14:37:51.241125Z",
"updated_at": "2022-09-04T14:37:51.241150Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.291125 0.000021 -0.000193\n-1.645545 2.850077 -0.001523\n-0.002020 -0.019539 34.367267\nMo W Se S\n2 2 6 2\ndirect\n0.333422 0.666960 0.094713 Mo\n0.333344 0.666749 0.467109 Mo\n0.666656 0.333259 0.280922 W\n0.666594 0.333078 0.660182 W\n0.333711 0.667222 0.709475 Se\n0.666349 0.332883 0.045699 Se\n0.666195 0.332526 0.418055 Se\n0.667129 0.334064 0.143775 Se\n0.667208 0.334164 0.516173 Se\n0.332761 0.665712 0.610806 Se\n0.333724 0.667327 0.325808 S\n0.332926 0.666061 0.236033 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.653096697561822,
"density_atomic": 0.03722492401954339,
"volume": 322.36466066928443,
"volume_molar": 16.177711355000557,
"formula_full": "Mo2 W2 Se6 S2",
"formula_reduced": "MoWSe3S",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.591872666666666,
"spacegroup": 156
},
{
"id": "jvasp-40102",
"created_at": "2022-09-04T14:37:57.647719Z",
"updated_at": "2022-09-04T14:37:57.647749Z",
"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n5.940082 -3.207289 0.300823\n5.940082 3.207289 0.300823\n-1.988339 0.000000 6.499869\nYb Mo Cl O\n2 2 2 8\ndirect\n0.287867 0.287867 0.153931 Yb\n0.712132 0.712132 0.846069 Yb\n0.631990 0.631990 0.259269 Mo\n0.368009 0.368009 0.740731 Mo\n0.978260 0.978260 0.347669 Cl\n0.021739 0.021739 0.652332 Cl\n0.886812 0.457346 0.120590 O\n0.457346 0.886812 0.120590 O\n0.482610 0.482610 0.245710 O\n0.288757 0.288757 0.486089 O\n0.711241 0.711241 0.513912 O\n0.517389 0.517389 0.754289 O\n0.542653 0.113187 0.879408 O\n0.113187 0.542653 0.879408 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Yb",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Yb",
"density": 4.865115916702338,
"density_atomic": 0.0556655419282654,
"volume": 251.50208755788998,
"volume_molar": 10.818435519338987,
"formula_full": "Yb2 Mo2 Cl2 O8",
"formula_reduced": "YbMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.097136381071429,
"spacegroup": 12
},
{
"id": "jvasp-45881",
"created_at": "2022-09-04T14:38:02.323674Z",
"updated_at": "2022-09-04T14:38:02.323691Z",
"structure_string": "Li2 V2 C4 O12\n1.0\n0.000000 6.057817 0.016579\n4.551297 0.000000 0.000000\n0.000000 -1.483342 -6.911755\nLi V C O\n2 2 4 12\ndirect\n0.175810 0.708283 0.566573 Li\n0.824191 0.208282 0.433426 Li\n0.729909 0.235646 0.907793 V\n0.270092 0.735646 0.092207 V\n0.226834 0.216273 0.875730 C\n0.732196 0.737550 0.631360 C\n0.267805 0.237550 0.368639 C\n0.773166 0.716273 0.124269 C\n0.590248 0.562255 0.110499 O\n0.365763 0.078273 0.259526 O\n0.284831 0.524887 0.352782 O\n0.159629 0.129860 0.487916 O\n0.840371 0.629860 0.512083 O\n0.208518 0.488137 0.835075 O\n0.634237 0.578273 0.740473 O\n0.409752 0.062254 0.889500 O\n0.791482 0.988138 0.164924 O\n0.061962 0.065839 0.922700 O\n0.715170 0.024887 0.647217 O\n0.938039 0.565839 0.077299 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 3.102210535986046,
"density_atomic": 0.10501358638135573,
"volume": 190.4515471680989,
"volume_molar": 5.734630125030354,
"formula_full": "Li2 V2 C4 O12",
"formula_reduced": "LiV(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.60790452,
"spacegroup": 4
},
{
"id": "jvasp-33364",
"created_at": "2022-09-04T14:37:57.624552Z",
"updated_at": "2022-09-04T14:37:57.624572Z",
"structure_string": "H14 S2 N4 O8\n1.0\n5.437647 -0.019383 1.517336\n1.885072 5.040786 1.622585\n0.042706 -0.038338 8.367961\nH S N O\n14 2 4 8\ndirect\n0.799069 0.802247 0.964950 H\n0.075751 0.219730 0.505210 H\n0.182518 0.870145 0.364340 H\n0.817483 0.129856 0.635661 H\n0.183270 0.760723 0.579749 H\n0.816731 0.239278 0.420252 H\n0.232494 0.400093 0.846271 H\n0.924249 0.780271 0.494790 H\n0.340205 0.068970 0.858136 H\n0.659796 0.931031 0.141865 H\n0.007976 0.249233 0.889863 H\n0.992024 0.750767 0.110137 H\n0.200931 0.197754 0.035051 H\n0.767507 0.599908 0.153730 H\n0.588038 0.631051 0.722154 S\n0.411963 0.368950 0.277847 S\n0.192158 0.226277 0.908204 N\n0.807843 0.773724 0.091797 N\n0.066280 0.867298 0.485033 N\n0.933720 0.132703 0.514967 N\n0.656086 0.813905 0.785019 O\n0.683248 0.660952 0.535481 O\n0.316752 0.339049 0.464520 O\n0.706679 0.352630 0.808582 O\n0.293322 0.647371 0.191418 O\n0.295422 0.703376 0.757786 O\n0.704578 0.296625 0.242214 O\n0.343914 0.186095 0.214981 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 1.8969980904222215,
"density_atomic": 0.12196593174802287,
"volume": 229.5723043205784,
"volume_molar": 4.93755975434314,
"formula_full": "H14 S2 N4 O8",
"formula_reduced": "H7S(NO2)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 3.460808607142857,
"spacegroup": 2
},
{
"id": "jvasp-21124",
"created_at": "2022-09-04T14:37:58.637609Z",
"updated_at": "2022-09-04T14:37:58.637633Z",
"structure_string": "Y1 Al3 B4 O12\n1.0\n5.731985 -0.005727 -1.470420\n-1.893893 5.410070 -1.470420\n-0.004067 -0.005727 5.917582\nY Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Y\n-0.000000 0.555566 0.444433 Al\n0.444433 -0.000001 0.555566 Al\n0.555567 0.444433 0.000000 Al\n0.056689 0.499999 0.943310 B\n0.500000 0.499999 0.500000 B\n0.943311 0.056688 0.500000 B\n0.500001 0.943310 0.056689 B\n0.779576 0.028889 0.628142 O\n0.628143 0.779576 0.028890 O\n0.028890 0.628142 0.779576 O\n0.351500 0.648500 0.500000 O\n0.648501 0.499999 0.351500 O\n0.091368 0.908631 0.500000 O\n0.500000 0.091367 0.908631 O\n0.908633 0.499999 0.091368 O\n0.971110 0.220423 0.371857 O\n0.371858 0.971109 0.220424 O\n0.220423 0.371857 0.971109 O\n0.500000 0.351499 0.648500 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Y",
"density": 3.6688180370344123,
"density_atomic": 0.10908335321699165,
"volume": 183.34603227877898,
"volume_molar": 5.520678070851554,
"formula_full": "Y1 Al3 B4 O12",
"formula_reduced": "YAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.3111663091666665,
"spacegroup": 155
},
{
"id": "jvasp-56863",
"created_at": "2022-09-04T14:37:57.582866Z",
"updated_at": "2022-09-04T14:37:57.582874Z",
"structure_string": "Ba4 Li6 Nb2 N8\n1.0\n5.681033 -0.000104 0.000035\n2.840398 5.648501 0.007530\n2.840503 0.322490 9.740222\nBa Li Nb N\n4 6 2 8\ndirect\n0.631607 0.193056 0.611458 Ba\n0.063875 0.693051 0.111458 Ba\n0.368392 0.806945 0.388542 Ba\n0.936123 0.306950 0.888542 Ba\n0.387515 0.249992 0.249991 Li\n0.529412 0.811419 0.043334 Li\n0.884176 0.688575 0.456666 Li\n0.470587 0.188581 0.956666 Li\n0.115823 0.311425 0.543334 Li\n0.612483 0.750009 0.750010 Li\n0.865413 0.249996 0.250001 Nb\n0.134586 0.750004 0.750000 Nb\n0.738157 0.005562 0.338682 N\n0.785900 0.889375 0.887549 N\n0.937159 0.389378 0.387554 N\n0.582416 0.494423 0.161318 N\n0.214099 0.110626 0.112452 N\n0.261842 0.994439 0.661318 N\n0.417582 0.505577 0.838683 N\n0.062840 0.610623 0.612446 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Nb",
"N"
],
"chemical_system": "Ba-Li-N-Nb",
"density": 4.7222570564584565,
"density_atomic": 0.0639906509538636,
"volume": 312.5456563087588,
"volume_molar": 9.410969681089638,
"formula_full": "Ba4 Li6 Nb2 N8",
"formula_reduced": "Ba2Li3NbN4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.223200434,
"spacegroup": 15
},
{
"id": "jvasp-12252",
"created_at": "2022-09-04T14:38:11.745742Z",
"updated_at": "2022-09-04T14:38:11.745768Z",
"structure_string": "Na6 V2 S6 O2\n1.0\n5.892461 0.000000 0.000000\n0.000000 7.481808 -1.573329\n0.000000 0.008632 7.645439\nNa V S O\n6 2 6 2\ndirect\n0.463779 0.118889 0.881111 Na\n0.483089 0.173753 0.413613 Na\n0.483089 0.586387 0.826247 Na\n0.983089 0.413613 0.173753 Na\n0.963778 0.881111 0.118889 Na\n0.983089 0.826247 0.586387 Na\n0.385235 0.702951 0.297049 V\n0.885235 0.297048 0.702951 V\n0.500752 0.432666 0.186383 S\n0.982894 0.118380 0.881620 S\n0.500752 0.813617 0.567334 S\n0.000752 0.186383 0.432666 S\n0.000752 0.567334 0.813616 S\n0.482894 0.881620 0.118380 S\n0.598970 0.301971 0.698029 O\n0.098970 0.698029 0.301971 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"V",
"S",
"O"
],
"chemical_system": "Na-O-S-V",
"density": 2.2864156055926816,
"density_atomic": 0.0474581910354712,
"volume": 337.13885107928536,
"volume_molar": 12.68936010540084,
"formula_full": "Na6 V2 S6 O2",
"formula_reduced": "Na3VS3O",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.3161080875000002,
"spacegroup": 36
}
]
}