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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4597",
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"results": [
{
"id": "jvasp-36689",
"created_at": "2022-09-04T14:37:50.381024Z",
"updated_at": "2022-09-04T14:37:50.381034Z",
"structure_string": "Sr2 W2 N6\n1.0\n3.692485 -0.003694 0.015433\n-0.110660 6.355491 0.043410\n-0.765225 -2.301094 6.190348\nSr W N\n2 2 6\ndirect\n0.033591 0.918157 0.357322 Sr\n0.971506 0.385501 0.888513 Sr\n0.519340 0.418680 0.367525 W\n0.444582 0.894857 0.871445 W\n0.035402 0.487997 0.312114 N\n0.618303 0.758557 0.570856 N\n0.484310 0.717968 0.034360 N\n0.918818 0.872916 0.734922 N\n0.531226 0.247410 0.535206 N\n0.491322 0.193081 0.058035 N\n",
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"elements": [
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"density": 7.144578213208748,
"density_atomic": 0.06862581657598218,
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"volume_molar": 8.775328382915944,
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{
"id": "jvasp-101975",
"created_at": "2022-09-04T14:37:50.478303Z",
"updated_at": "2022-09-04T14:37:50.478314Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.258250 0.055769 -0.211701\n-1.729121 4.304232 -0.091547\n0.194417 -0.015877 19.019004\nSn H C F\n2 24 12 4\ndirect\n0.920785 0.984456 0.476282 Sn\n0.383484 0.829000 0.960756 Sn\n0.519507 0.614505 0.082416 H\n0.078987 0.479804 0.061731 H\n0.079259 0.014568 0.099005 H\n0.508144 0.128267 0.125805 H\n0.365388 0.185292 0.673014 H\n0.282384 0.407925 0.565524 H\n0.868061 0.272812 0.595700 H\n0.711828 0.638442 0.637857 H\n0.755037 0.941966 0.699315 H\n0.777595 0.440297 0.749705 H\n0.172214 0.525680 0.713156 H\n0.317878 0.883429 0.611224 H\n0.364560 0.700861 0.212156 H\n0.936067 0.587588 0.184647 H\n0.223562 0.796734 0.337894 H\n0.794534 0.682959 0.311200 H\n0.783504 0.196979 0.354404 H\n-0.008004 0.935688 0.821414 H\n0.224092 0.331908 0.374917 H\n0.394896 0.022966 0.788482 H\n0.452333 0.553830 0.840930 H\n0.026961 0.423425 0.864726 H\n0.366245 0.223314 0.252157 H\n0.937670 0.109830 0.224714 H\n0.892068 0.805976 0.675724 C\n0.271241 0.926349 0.119425 C\n0.073181 0.200718 0.579530 C\n0.182459 0.019090 0.635252 C\n0.309169 0.687287 0.067266 C\n0.000468 0.632745 0.733855 C\n0.165093 0.830055 0.800774 C\n0.031486 0.884860 0.317481 C\n0.129408 0.020955 0.245348 C\n0.248051 0.630509 0.855838 C\n0.993913 0.124307 0.369582 C\n0.172948 0.789864 0.191510 C\n0.911767 0.930241 0.960302 F\n0.392889 0.882673 0.476744 F\n0.750091 0.515593 0.476317 F\n0.554993 0.297879 0.960952 F\n",
"nsites": 42,
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"elements": [
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"C",
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],
"chemical_system": "C-F-H-Sn",
"density": 2.281697961778521,
"density_atomic": 0.11979876331503937,
"volume": 350.5879262672437,
"volume_molar": 5.026880573185339,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
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"spacegroup": 1
},
{
"id": "jvasp-27257",
"created_at": "2022-09-04T14:37:50.815143Z",
"updated_at": "2022-09-04T14:37:50.815169Z",
"structure_string": "Fe2 Te2 Br14\n1.0\n6.747238 0.044797 -0.054240\n1.047412 8.690964 -0.023398\n2.309778 0.636040 10.070773\nFe Te Br\n2 2 14\ndirect\n0.498154 0.121204 0.119586 Fe\n0.769614 0.548329 0.557159 Fe\n0.951011 0.505446 0.082359 Te\n0.192978 0.936123 0.543699 Te\n0.331306 0.185594 0.572099 Br\n0.739196 0.340285 0.708199 Br\n0.670500 0.483974 0.364100 Br\n0.556952 0.762477 0.654758 Br\n0.113719 0.604399 0.501571 Br\n0.640650 0.626859 -0.005815 Br\n0.067575 0.756904 0.129627 Br\n0.975755 0.919966 0.776291 Br\n0.407130 0.050560 0.933998 Br\n0.492681 0.905064 0.275538 Br\n0.285854 0.332760 0.219557 Br\n0.843583 0.175865 0.065573 Br\n0.192947 0.476891 0.859287 Br\n0.910803 0.050599 0.424907 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Te",
"Br"
],
"chemical_system": "Br-Fe-Te",
"density": 4.172342801467652,
"density_atomic": 0.030445091693269255,
"volume": 591.2283063998591,
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"formula_full": "Fe2 Te2 Br14",
"formula_reduced": "FeTeBr7",
"formula_anonymous": "ABC7",
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"spacegroup": 1
},
{
"id": "jvasp-48652",
"created_at": "2022-09-04T14:37:51.257482Z",
"updated_at": "2022-09-04T14:37:51.257508Z",
"structure_string": "Li7 V1 O5 F1\n1.0\n4.947642 0.061414 0.787391\n-2.413202 4.350716 -0.925570\n0.770991 -3.491585 6.509564\nLi V O F\n7 1 5 1\ndirect\n0.212687 0.384888 0.452521 Li\n0.416688 0.578322 0.207364 Li\n0.265772 0.694868 -0.070968 Li\n0.928634 0.576430 0.200418 Li\n0.436783 0.056685 0.706522 Li\n0.956104 0.026441 0.640183 Li\n0.731330 0.323249 0.429282 Li\n0.845074 0.829988 -0.099221 V\n0.166400 0.746903 0.442280 O\n0.144353 0.267347 0.941475 O\n0.564399 0.726318 0.720825 O\n0.829705 0.878706 0.164491 O\n0.890594 0.406204 0.700036 O\n0.507076 0.253153 0.212290 F\n",
"nsites": 14,
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"elements": [
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"O",
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],
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"density": 2.5545207477388394,
"density_atomic": 0.10848646729385895,
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"formula_full": "Li7 V1 O5 F1",
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{
"id": "jvasp-29971",
"created_at": "2022-09-04T14:37:51.329498Z",
"updated_at": "2022-09-04T14:37:51.329528Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n4.790824 -0.014312 2.673276\n0.239565 4.582444 7.571795\n0.653620 0.852258 7.036303\nAg Cl O\n2 2 4\ndirect\n0.657415 0.719621 0.250353 Ag\n0.466950 0.934056 0.576028 Ag\n0.145411 0.167368 0.827925 Cl\n0.985991 0.375738 0.103412 Cl\n0.312482 0.231126 0.074547 O\n0.143942 0.160238 0.611792 O\n0.780411 0.809930 0.387577 O\n0.533429 0.586080 0.172660 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Cl-O",
"density": 5.01728281752267,
"density_atomic": 0.0689363070278177,
"volume": 116.04915239761509,
"volume_molar": 8.735804135214119,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
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"spacegroup": 1
},
{
"id": "jvasp-42725",
"created_at": "2022-09-04T14:37:51.375402Z",
"updated_at": "2022-09-04T14:37:51.375427Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.952505 -0.106895 -0.016322\n-0.134408 5.253843 0.051472\n-0.112964 -0.081643 6.545040\nLi Fe Si O\n3 2 2 8\ndirect\n0.493194 0.158877 0.506456 Li\n0.504645 0.650495 0.278352 Li\n0.996260 0.846854 0.508871 Li\n0.487365 0.171431 0.991486 Fe\n0.025973 0.819201 0.000504 Fe\n-0.006303 0.325372 0.263819 Si\n0.492634 0.670349 0.736800 Si\n0.113694 0.182957 0.456509 O\n0.099526 0.185749 0.049272 O\n0.656388 0.310042 0.242718 O\n0.554608 0.367344 0.757171 O\n0.100130 0.631404 0.245325 O\n0.166996 0.719843 0.752326 O\n0.622317 0.819497 0.953801 O\n0.608959 0.801482 0.531300 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0893326811706063,
"density_atomic": 0.08812259978034652,
"volume": 170.2174020896892,
"volume_molar": 6.8338210345708434,
"formula_full": "Li3 Fe2 Si2 O8",
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},
{
"id": "jvasp-101978",
"created_at": "2022-09-04T14:37:51.400936Z",
"updated_at": "2022-09-04T14:37:51.400961Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n",
"nsites": 25,
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],
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"density": 2.875007763954805,
"density_atomic": 0.1140925379228939,
"volume": 219.12037767882347,
"volume_molar": 5.278295031064949,
"formula_full": "H12 Pb1 C8 O4",
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"formula_anonymous": "AB4C8D12",
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{
"id": "jvasp-43672",
"created_at": "2022-09-04T14:37:51.591814Z",
"updated_at": "2022-09-04T14:37:51.591846Z",
"structure_string": "Li1 V4 O1 F11\n1.0\n5.034133 0.014899 -0.006583\n-0.058391 5.400064 -0.058766\n-0.054991 -0.658983 7.398857\nLi V O F\n1 4 1 11\ndirect\n0.001601 0.590119 0.192808 Li\n0.001724 0.004182 0.505814 V\n0.504081 0.498831 0.502902 V\n0.481922 0.485822 0.997524 V\n0.007784 0.023040 0.001058 V\n0.197208 0.302993 0.050744 O\n0.296697 0.799647 0.077100 F\n0.315917 0.185289 0.438034 F\n0.370525 0.508306 0.747785 F\n0.645655 0.492872 0.248758 F\n0.815494 0.684379 0.958191 F\n0.685842 0.183296 0.926252 F\n0.178606 0.677038 0.423520 F\n0.820206 0.318395 0.566801 F\n0.876473 0.993476 0.250424 F\n0.685882 0.815762 0.558841 F\n0.129354 0.983146 0.750843 F\n",
"nsites": 17,
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"density": 3.600387160566057,
"density_atomic": 0.084600435210237,
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"formula_full": "Li1 V4 O1 F11",
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"spacegroup": 1
},
{
"id": "jvasp-43751",
"created_at": "2022-09-04T14:37:51.449649Z",
"updated_at": "2022-09-04T14:37:51.449674Z",
"structure_string": "Mn8 O13 F3\n1.0\n5.428953 0.011840 0.002139\n-0.023201 6.505045 0.006205\n-0.097521 -0.666368 6.510738\nMn O F\n8 13 3\ndirect\n0.646885 0.374415 0.115271 Mn\n0.318241 0.127798 0.378081 Mn\n0.851810 0.874334 0.123058 Mn\n0.870855 0.381513 0.640832 Mn\n0.143866 0.138860 0.872777 Mn\n0.144225 0.625498 0.374893 Mn\n0.377366 0.611963 0.868947 Mn\n0.645241 0.876115 0.640000 Mn\n0.621380 0.823377 0.904371 O\n0.386074 0.670579 0.593423 O\n0.626265 0.418422 0.838859 O\n0.109478 0.905884 0.321912 O\n0.882771 0.654333 0.577080 O\n0.125515 0.412309 0.829499 O\n0.377591 0.081497 0.656702 O\n0.882144 0.091037 0.670741 O\n0.104187 0.344558 0.426081 O\n0.388964 0.576560 0.154876 O\n0.379508 0.172215 0.095498 O\n0.880079 0.157086 0.072211 O\n0.881798 0.593049 0.171878 O\n0.603573 0.924606 0.350475 F\n0.617621 0.327039 0.413989 F\n0.134563 0.836964 0.908545 F\n",
"nsites": 24,
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"density": 5.087214246296895,
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"volume": 229.9561309749276,
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"formula_full": "Mn8 O13 F3",
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"formula_anonymous": "A3B8C13",
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},
{
"id": "jvasp-49939",
"created_at": "2022-09-04T14:37:52.308173Z",
"updated_at": "2022-09-04T14:37:52.308191Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.402064 -0.002886 0.001207\n0.006363 6.449631 0.000894\n0.038930 1.602346 6.797330\nHf N O\n8 8 4\ndirect\n0.712248 0.870702 0.151123 Hf\n0.702073 0.371072 0.152654 Hf\n0.197625 0.322644 0.346692 Hf\n0.214523 0.821795 0.343084 Hf\n0.770054 0.504921 0.609978 Hf\n0.765804 0.008078 0.606012 Hf\n0.309979 0.692758 0.867774 Hf\n0.275316 0.184919 0.894895 Hf\n0.546023 0.431768 0.866851 N\n0.548624 0.952781 0.865011 N\n0.042719 0.247890 0.637756 N\n0.522490 0.773995 0.528230 N\n0.422717 0.108466 0.193755 N\n0.925902 0.582916 0.312261 N\n0.428895 0.616309 0.179746 N\n0.924712 0.079900 0.308005 N\n0.057904 0.901464 -0.001421 O\n0.553215 0.288438 0.490397 O\n0.025060 0.748551 0.644765 O\n0.054105 0.414399 0.002430 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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],
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"density": 11.24675438660224,
"density_atomic": 0.08445231190269753,
"volume": 236.82004138670797,
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"formula_full": "Hf8 N8 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 1
},
{
"id": "jvasp-9338",
"created_at": "2022-09-04T14:37:53.816348Z",
"updated_at": "2022-09-04T14:37:53.816368Z",
"structure_string": "Al1 Cr1 W2 O8\n1.0\n-4.886746 -0.040198 0.037358\n1.759949 5.384812 0.024822\n-0.435832 -2.578112 -5.846496\nAl Cr W O\n1 1 2 8\ndirect\n0.459509 0.091448 0.596866 Al\n0.974293 0.094711 0.213939 Cr\n0.716537 0.600544 0.401098 W\n0.239518 0.594854 0.060681 W\n0.640353 0.887703 0.646069 O\n0.732467 0.321089 0.490468 O\n0.631021 0.793371 0.200774 O\n0.857989 0.390768 0.094937 O\n0.162051 0.839216 0.980616 O\n0.318756 0.336247 0.800096 O\n0.329474 0.404403 0.279266 O\n0.138130 0.841739 0.413691 O\n",
"nsites": 12,
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],
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"density_atomic": 0.07841180684441573,
"volume": 153.03817732207514,
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"formula_full": "Al1 Cr1 W2 O8",
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"formula_anonymous": "ABC2D8",
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},
{
"id": "jvasp-51707",
"created_at": "2022-09-04T14:37:54.246343Z",
"updated_at": "2022-09-04T14:37:54.246376Z",
"structure_string": "Li8 H12 Os2\n1.0\n4.076941 2.353823 3.333973\n-4.076941 2.353823 3.333973\n-0.000000 -4.707646 3.333973\nLi H Os\n8 12 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.750000 Li\n0.638133 0.861865 0.250000 Li\n0.861865 0.249999 0.638134 Li\n0.249999 0.638133 0.861866 Li\n0.138134 0.749999 0.361866 Li\n0.749999 0.361865 0.138134 Li\n0.361865 0.138134 0.750000 Li\n0.292509 0.953809 0.055563 H\n0.055562 0.292509 0.953810 H\n0.953809 0.055562 0.292509 H\n0.555562 0.453808 0.792510 H\n0.792508 0.555562 0.453810 H\n0.453808 0.792508 0.555563 H\n0.444437 0.546190 0.207491 H\n0.944436 0.707490 0.046191 H\n0.046190 0.944436 0.707491 H\n0.499999 0.499999 0.500000 H\n0.207490 0.444436 0.546191 H\n0.546190 0.207490 0.444437 H\n0.707490 0.046190 0.944437 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.11460435554307241,
"volume": 191.96478088244749,
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"formula_full": "Li8 H12 Os2",
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"formula_anonymous": "AB4C6",
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"spacegroup": 1
}
]
}