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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=53",
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"results": [
{
"id": "jvasp-44515",
"created_at": "2022-09-04T14:38:08.922346Z",
"updated_at": "2022-09-04T14:38:08.922372Z",
"structure_string": "Li3 Fe1 Sb4 O12\n1.0\n5.166202 0.017412 -0.001664\n0.030973 5.627125 0.036250\n0.004390 0.649411 7.616235\nLi Fe Sb O\n3 1 4 12\ndirect\n0.497940 0.057752 0.790993 Li\n0.000457 0.572159 0.780624 Li\n0.498821 0.038343 0.277267 Li\n0.994348 0.613659 0.300577 Fe\n-0.000845 -0.005572 0.994083 Sb\n0.502940 0.483347 0.498587 Sb\n0.006705 0.021721 0.509518 Sb\n0.493368 0.487066 -0.002434 Sb\n0.299678 0.785521 0.904338 O\n0.152574 0.635509 0.530004 O\n0.832173 0.651397 0.068877 O\n0.321962 0.459769 0.241934 O\n0.641587 0.471148 0.748041 O\n0.851351 0.955154 0.761189 O\n0.819727 0.336960 0.383694 O\n0.664450 0.158036 0.057728 O\n0.141524 0.928590 0.236930 O\n0.705392 0.775534 0.395074 O\n0.193370 0.289429 0.906475 O\n0.382467 0.143683 0.546101 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.670839519607488,
"density_atomic": 0.09038125624916311,
"volume": 221.2848197735157,
"volume_molar": 6.663041663636715,
"formula_full": "Li3 Fe1 Sb4 O12",
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"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.502143595,
"spacegroup": 1
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{
"id": "jvasp-44354",
"created_at": "2022-09-04T14:38:09.992866Z",
"updated_at": "2022-09-04T14:38:09.992891Z",
"structure_string": "Li4 V1 Ga3 O8\n1.0\n5.036008 0.001175 -0.001129\n-0.002818 5.491368 0.000402\n-0.007661 -0.001606 6.401725\nLi V Ga O\n4 1 3 8\ndirect\n0.502270 0.918007 0.374801 Li\n0.004878 0.579878 0.876325 Li\n0.502603 0.416619 0.125582 Li\n0.004717 0.083838 0.624147 Li\n0.503723 0.913408 0.871914 V\n0.999249 0.585607 0.373463 Ga\n0.499659 0.415139 0.622637 Ga\n0.998590 0.085889 0.129364 Ga\n0.121270 0.929158 0.887564 O\n0.110994 0.910297 0.365941 O\n0.610573 0.581760 0.864180 O\n0.626173 0.575247 0.384063 O\n0.126492 0.429011 0.613860 O\n0.110733 0.410805 0.136706 O\n0.611162 0.091085 0.630861 O\n0.624516 0.074253 0.118582 O\n",
"nsites": 16,
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"elements": [
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"V",
"Ga",
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],
"chemical_system": "Ga-Li-O-V",
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"density_atomic": 0.09037661376203135,
"volume": 177.03694942730698,
"volume_molar": 6.663383932326525,
"formula_full": "Li4 V1 Ga3 O8",
"formula_reduced": "Li4VGa3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 1.8206405734375,
"spacegroup": 1
},
{
"id": "jvasp-44638",
"created_at": "2022-09-04T14:38:09.117030Z",
"updated_at": "2022-09-04T14:38:09.117051Z",
"structure_string": "Li4 Nb1 Fe3 O8\n1.0\n5.004955 0.032660 0.102705\n0.058586 5.422264 0.066603\n0.151915 0.155207 6.602663\nLi Nb Fe O\n4 1 3 8\ndirect\n-0.008695 0.077670 0.384163 Li\n0.514187 0.434413 0.876227 Li\n-0.010492 0.580002 0.125153 Li\n0.518080 0.900293 0.625104 Li\n0.489003 0.929692 0.126584 Nb\n0.030068 0.117433 0.813352 Fe\n0.460401 0.428883 0.425022 Fe\n0.042199 0.521125 0.626088 Fe\n0.627198 0.077991 0.878909 O\n0.597869 0.085955 0.363108 O\n0.123581 0.436625 0.891430 O\n0.099678 0.422726 0.362062 O\n0.655432 0.564351 0.622468 O\n0.595546 0.595309 0.140590 O\n0.125917 0.890565 0.621861 O\n0.113649 0.936965 0.117874 O\n",
"nsites": 16,
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"elements": [
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"O"
],
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"density": 3.8602013796993844,
"density_atomic": 0.08936720300977746,
"volume": 179.0365980039621,
"volume_molar": 6.738647464821217,
"formula_full": "Li4 Nb1 Fe3 O8",
"formula_reduced": "Li4NbFe3O8",
"formula_anonymous": "AB3C4D8",
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},
{
"id": "jvasp-59262",
"created_at": "2022-09-04T14:38:09.399984Z",
"updated_at": "2022-09-04T14:38:09.400004Z",
"structure_string": "P8 N8 O8\n1.0\n4.498400 -0.005278 -0.000773\n-0.081151 7.065806 -0.008130\n-0.011853 -0.135215 9.503221\nP N O\n8 8 8\ndirect\n0.995490 0.990616 0.002110 P\n0.995280 0.759430 0.750376 P\n0.005582 0.988021 0.502827 P\n0.025774 0.752579 0.248209 P\n0.495413 0.481805 0.748732 P\n0.491838 0.495884 0.256658 P\n0.504285 0.263401 0.494187 P\n0.496633 0.268653 0.001763 P\n0.138897 0.888371 0.130049 N\n0.137547 0.869279 0.622549 N\n0.260381 0.635053 0.329143 N\n0.355003 0.380993 0.126144 N\n0.353312 0.365807 0.622591 N\n0.655110 0.366428 0.369885 N\n0.641276 0.376267 0.874096 N\n0.855453 0.872171 0.875946 N\n0.861049 0.880609 0.372928 O\n0.746863 0.117867 0.558509 O\n0.744921 0.128915 0.062068 O\n0.744073 0.621882 0.683863 O\n0.753322 0.630926 0.189244 O\n0.245200 0.621954 0.809780 O\n0.245228 0.127525 0.936119 O\n0.252084 0.115576 0.432230 O\n",
"nsites": 24,
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"elements": [
"P",
"N",
"O"
],
"chemical_system": "N-O-P",
"density": 2.681933353908955,
"density_atomic": 0.07945728134852152,
"volume": 302.04909597560214,
"volume_molar": 7.579092384982608,
"formula_full": "P8 N8 O8",
"formula_reduced": "PNO",
"formula_anonymous": "ABC",
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"spacegroup": 1
},
{
"id": "jvasp-44692",
"created_at": "2022-09-04T14:38:09.416209Z",
"updated_at": "2022-09-04T14:38:09.416228Z",
"structure_string": "Li4 Mn1 Fe3 O8\n1.0\n5.031890 0.112825 0.016736\n-0.072343 5.508445 -0.007747\n0.000452 -0.037596 6.371487\nLi Mn Fe O\n4 1 3 8\ndirect\n0.990986 0.916315 0.377128 Li\n0.500199 0.578690 0.875236 Li\n0.993454 0.421162 0.124101 Li\n0.499121 0.086023 0.623537 Li\n0.497449 0.083619 0.126778 Mn\n-0.000286 0.916674 0.875551 Fe\n0.498538 0.582776 0.370957 Fe\n0.998937 0.416818 0.625628 Fe\n0.372470 0.927768 0.892557 O\n0.391232 0.911833 0.354523 O\n0.887067 0.586547 0.872855 O\n0.881751 0.579629 0.380365 O\n0.377737 0.424162 0.619830 O\n0.392954 0.401621 0.133404 O\n0.887133 0.087533 0.630504 O\n0.857660 0.078827 0.117051 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.5553504621002308,
"density_atomic": 0.0905721655383359,
"volume": 176.6547140051298,
"volume_molar": 6.648997210352719,
"formula_full": "Li4 Mn1 Fe3 O8",
"formula_reduced": "Li4MnFe3O8",
"formula_anonymous": "AB3C4D8",
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"spacegroup": 1
},
{
"id": "jvasp-47261",
"created_at": "2022-09-04T14:38:09.460626Z",
"updated_at": "2022-09-04T14:38:09.460650Z",
"structure_string": "Li4 Si2 Ni1 O7\n1.0\n4.433264 -0.002966 0.012460\n-2.180897 4.779417 -0.024209\n-0.133505 -1.133168 6.646994\nLi Si Ni O\n4 2 1 7\ndirect\n0.134366 0.298071 0.435774 Li\n0.705329 0.430968 0.144033 Li\n0.283853 0.583103 0.852770 Li\n0.839953 0.705529 0.566383 Li\n0.587631 0.152139 0.709148 Si\n0.430473 0.850049 0.286949 Si\n0.009790 0.023239 0.005197 Ni\n0.766281 0.106893 0.226569 O\n0.405146 0.268734 0.887418 O\n0.915583 0.408672 0.652364 O\n0.501312 0.589407 0.343188 O\n0.129481 0.737577 0.104745 O\n0.670069 0.895264 0.774603 O\n0.311160 0.999370 0.498038 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 3.0047843540795385,
"density_atomic": 0.09949300999650615,
"volume": 140.7134028862091,
"volume_molar": 6.052827992852439,
"formula_full": "Li4 Si2 Ni1 O7",
"formula_reduced": "Li4Si2NiO7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 1
},
{
"id": "jvasp-47298",
"created_at": "2022-09-04T14:38:09.722807Z",
"updated_at": "2022-09-04T14:38:09.722824Z",
"structure_string": "Li4 Mn5 O9 F1\n1.0\n5.105830 -0.022510 -0.007446\n-1.166818 5.209832 0.021507\n-1.787516 -2.535110 7.123743\nLi Mn O F\n4 5 9 1\ndirect\n0.893720 0.811147 0.306912 Li\n0.495091 0.962192 0.477413 Li\n0.112138 0.183449 0.689435 Li\n0.717544 0.414103 0.919124 Li\n0.202145 0.402580 0.391715 Mn\n0.008779 0.984451 0.006495 Mn\n0.601331 0.183320 0.200778 Mn\n0.792552 0.592628 0.597368 Mn\n0.389041 0.790481 0.805658 Mn\n0.436033 0.459192 0.651499 O\n0.862886 0.213016 0.436881 O\n0.278535 0.030190 0.267151 O\n0.664225 0.798599 0.026917 O\n0.943215 0.338061 0.145079 O\n0.137668 0.800304 0.571265 O\n0.555958 0.598505 0.371142 O\n0.001608 0.633933 0.842961 O\n0.356271 0.138939 0.952565 O\n0.750129 0.056445 0.737407 F\n",
"nsites": 19,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
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"density": 4.078678330252264,
"density_atomic": 0.10026595868608794,
"volume": 189.4960188780031,
"volume_molar": 6.006166837594484,
"formula_full": "Li4 Mn5 O9 F1",
"formula_reduced": "Li4Mn5O9F",
"formula_anonymous": "AB4C5D9",
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"spacegroup": 1
},
{
"id": "jvasp-46151",
"created_at": "2022-09-04T14:38:09.862038Z",
"updated_at": "2022-09-04T14:38:09.862047Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n5.092901 -0.056962 0.039138\n1.875855 4.741536 0.014208\n2.596950 -0.015152 7.325934\nLi Ti Co O\n4 2 4 10\ndirect\n0.101687 0.504188 0.793503 Li\n0.202727 0.001122 0.598673 Li\n0.491726 0.487463 0.001499 Li\n0.798951 0.002317 0.405426 Li\n0.704969 0.493647 0.611543 Ti\n0.010515 -0.003360 -0.002241 Ti\n0.873913 0.512799 0.202866 Co\n0.600405 0.000209 0.791549 Co\n0.313102 0.505358 0.389495 Co\n0.400122 0.983358 0.216671 Co\n0.939443 0.736307 0.595826 O\n0.145570 0.755448 0.185804 O\n0.044641 0.264837 0.407890 O\n0.347564 0.745951 0.800880 O\n0.546619 0.746274 0.417043 O\n0.663732 0.237570 0.185868 O\n0.236917 0.237453 0.005959 O\n0.467545 0.267067 0.597898 O\n0.753948 0.770575 -0.004792 O\n0.855888 0.251435 0.798639 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.865465909788613,
"density_atomic": 0.11286256631224002,
"volume": 177.20667404167457,
"volume_molar": 5.335817673452012,
"formula_full": "Li4 Ti2 Co4 O10",
"formula_reduced": "Li2TiCo2O5",
"formula_anonymous": "AB2C2D5",
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"spacegroup": 1
},
{
"id": "jvasp-46283",
"created_at": "2022-09-04T14:38:09.964812Z",
"updated_at": "2022-09-04T14:38:09.964847Z",
"structure_string": "Li4 Cr2 O8\n1.0\n5.198384 0.097064 -0.048206\n-2.240153 -4.657676 -0.146366\n-2.482801 -0.199313 -7.355749\nLi Cr O\n4 2 8\ndirect\n0.704345 0.345850 0.193551 Li\n0.279332 0.688307 0.608176 Li\n0.978389 0.121595 0.527674 Li\n0.080947 0.192116 0.972201 Li\n0.322827 0.704523 0.222790 Cr\n0.667990 0.332904 0.745276 Cr\n0.132873 0.847114 0.057658 O\n0.396255 0.476664 0.140515 O\n0.633419 0.963575 0.330573 O\n0.107820 0.519287 0.367198 O\n0.975272 0.343315 0.707656 O\n0.355873 0.084366 0.624601 O\n0.657657 0.651148 0.698008 O\n0.704910 0.238444 0.964431 O\n",
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"volume": 176.92038762983898,
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"formula_full": "Li4 Cr2 O8",
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{
"id": "jvasp-42912",
"created_at": "2022-09-04T14:38:09.999363Z",
"updated_at": "2022-09-04T14:38:09.999374Z",
"structure_string": "Co6 O2 F10\n1.0\n4.661534 -0.001853 0.006528\n-0.038390 5.624900 -0.100772\n-0.034256 -0.337354 7.660326\nCo O F\n6 2 10\ndirect\n0.490264 0.519290 0.003654 Co\n0.472576 0.828332 0.324403 Co\n0.502636 0.160551 0.674924 Co\n0.014869 0.663896 0.640215 Co\n0.015502 0.356543 0.342056 Co\n0.016020 0.980730 0.013145 Co\n0.209785 0.644787 0.423688 O\n0.300866 0.797532 0.106829 O\n0.785585 0.033445 0.240785 F\n0.705088 0.198348 0.909167 F\n0.711872 0.529883 0.228800 F\n0.685104 0.862854 0.554108 F\n0.196123 0.962468 0.766655 F\n0.298308 0.463573 0.768065 F\n0.203153 0.295833 0.104666 F\n0.803716 0.700193 0.885191 F\n0.294167 0.140384 0.442606 F\n0.794349 0.361372 0.571051 F\n",
"nsites": 18,
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],
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"density_atomic": 0.08968558844779409,
"volume": 200.70114175007933,
"volume_molar": 6.7147251461760575,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
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"spacegroup": 1
},
{
"id": "jvasp-47022",
"created_at": "2022-09-04T14:38:10.003010Z",
"updated_at": "2022-09-04T14:38:10.003042Z",
"structure_string": "V3 O5 F1\n1.0\n4.991865 0.003138 -0.043325\n-2.459330 4.318023 0.028460\n-2.294041 -1.484556 4.606683\nV O F\n3 5 1\ndirect\n0.313754 0.643682 0.940928 V\n0.723043 0.854772 0.550639 V\n0.653223 0.313359 0.020667 V\n0.527738 0.591835 0.763697 O\n0.180140 0.926333 0.769592 O\n0.860119 0.257669 0.792512 O\n0.743437 0.057376 0.246722 O\n0.549481 0.489409 0.247076 O\n0.173571 0.711694 0.256310 F\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.225688027221724,
"density_atomic": 0.09094959935205431,
"volume": 98.95590595360565,
"volume_molar": 6.6214043853992814,
"formula_full": "V3 O5 F1",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
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"spacegroup": 1
},
{
"id": "jvasp-13254",
"created_at": "2022-09-04T14:38:10.076287Z",
"updated_at": "2022-09-04T14:38:10.076318Z",
"structure_string": "Nb1 Bi3 O7\n1.0\n3.812129 0.019077 0.014307\n1.788854 3.433837 -0.002856\n1.803424 1.124242 12.667926\nNb Bi O\n1 3 7\ndirect\n0.540557 0.459983 0.505037 Nb\n0.957243 0.065320 -0.000356 Bi\n0.217917 0.288577 0.273544 Bi\n0.715670 0.811295 0.737410 Bi\n0.513475 0.628810 0.349762 O\n0.894643 0.009269 0.188936 O\n0.772712 0.878652 0.542824 O\n0.137632 0.255037 0.464497 O\n0.018541 0.126923 0.814475 O\n0.402420 0.497896 0.659058 O\n0.625677 0.726743 0.987315 O\n",
"nsites": 11,
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"elements": [
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],
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"density": 8.354044464847545,
"density_atomic": 0.0665271326316214,
"volume": 165.34607106712315,
"volume_molar": 9.05215740071981,
"formula_full": "Nb1 Bi3 O7",
"formula_reduced": "NbBi3O7",
"formula_anonymous": "AB3C7",
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"spacegroup": 1
}
]
}