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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=413",
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"results": [
{
"id": "jvasp-117250",
"created_at": "2022-09-04T14:38:49.910304Z",
"updated_at": "2022-09-04T14:38:49.910320Z",
"structure_string": "Sr6 Co2 Ru2 O12\n1.0\n6.785507 -0.000378 -0.252883\n-0.205939 6.648975 -0.338540\n-0.024311 0.004792 6.616460\nSr Co Ru O\n6 2 2 12\ndirect\n0.610148 0.882649 0.250998 Sr\n0.888137 0.247631 0.613347 Sr\n0.246787 0.616800 0.881661 Sr\n0.111857 0.752364 0.386652 Sr\n0.753212 0.383200 0.118338 Sr\n0.389853 0.117348 0.749004 Sr\n0.733172 0.734415 0.759765 Co\n0.266835 0.265583 0.240235 Co\n0.499995 0.500002 0.500002 Ru\n0.000001 0.000000 -0.000000 Ru\n0.939712 0.078474 0.282107 O\n0.592167 0.463643 0.792596 O\n0.785951 0.599250 0.472303 O\n0.453261 0.785245 0.590511 O\n0.715957 0.028074 0.898759 O\n0.546740 0.214761 0.409486 O\n0.060290 0.921521 0.717893 O\n0.407828 0.536366 0.207408 O\n0.214048 0.400746 0.527698 O\n0.094018 0.288334 0.969952 O\n0.905989 0.711664 0.030057 O\n0.284046 0.971928 0.101232 O\n",
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"formula_full": "Sr6 Co2 Ru2 O12",
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"formula_anonymous": "ABC3D6",
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{
"id": "jvasp-113256",
"created_at": "2022-09-04T14:38:49.049209Z",
"updated_at": "2022-09-04T14:38:49.049223Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.988858 -0.000203 0.000054\n0.000490 11.390505 -0.003978\n-0.000064 0.002208 5.973821\nLi Mn P O\n4 4 4 16\ndirect\n0.992073 0.065314 0.220390 Li\n0.492177 0.434674 0.720459 Li\n0.992178 0.565321 0.279598 Li\n0.492071 0.934681 0.779549 Li\n0.987109 0.328996 0.965980 Mn\n0.487112 0.671002 0.034062 Mn\n0.487013 0.170999 0.465902 Mn\n0.987011 0.829000 0.534054 Mn\n0.497727 0.914969 0.263172 P\n0.997822 0.585026 0.763219 P\n0.497819 0.414976 0.236833 P\n0.997727 0.085033 0.736771 P\n0.390996 0.354540 0.019505 O\n0.890908 0.145460 0.519430 O\n0.411762 0.844282 0.051922 O\n0.911832 0.655711 0.551967 O\n0.411831 0.344292 0.448087 O\n0.911761 0.155721 0.948020 O\n0.807810 0.918531 0.277714 O\n0.883374 0.458748 0.741341 O\n0.807904 0.418534 0.222299 O\n0.307809 0.081467 0.722235 O\n0.883273 0.958755 0.758675 O\n0.383377 0.541256 0.258711 O\n0.891006 0.645459 0.980554 O\n0.383280 0.041248 0.241270 O\n0.307906 0.581463 0.777748 O\n0.390901 0.854540 0.480509 O\n",
"nsites": 28,
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"volume": 339.466078716211,
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"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
},
{
"id": "jvasp-119390",
"created_at": "2022-09-04T14:38:49.496547Z",
"updated_at": "2022-09-04T14:38:49.496579Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.088421 0.005991 0.088686\n-2.510973 4.798487 -0.334264\n-0.010127 -0.093335 12.509778\nLi V O F\n3 6 3 15\ndirect\n0.598209 0.224064 0.107667 Li\n0.595524 0.200357 0.586774 Li\n0.291972 0.565583 0.922928 Li\n0.331665 0.640120 0.167957 V\n0.020617 0.022457 0.003154 V\n0.319120 0.659038 0.674698 V\n0.016070 0.005082 0.494187 V\n0.648117 0.322376 0.344035 V\n0.697069 0.353947 0.829499 V\n0.390153 0.189923 0.449362 O\n0.076391 0.538387 0.786753 O\n0.275497 0.335950 0.082767 O\n0.235243 0.799928 0.032635 F\n0.455536 0.545207 0.296824 F\n0.020837 0.337741 0.580169 F\n0.388395 0.012685 0.234373 F\n0.858837 0.107460 0.371237 F\n0.789950 0.233748 0.968557 F\n0.550559 0.447105 0.696174 F\n0.900216 0.460437 0.207420 F\n0.627839 0.996567 0.754030 F\n0.951537 0.647612 0.423089 F\n0.702906 0.686835 0.915801 F\n0.592373 0.820184 0.549029 F\n0.263064 0.171077 0.873372 F\n0.156238 0.906112 0.626544 F\n0.748497 0.876619 0.124857 F\n",
"nsites": 27,
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"density_atomic": 0.08837903343611561,
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"formula_full": "Li3 V6 O3 F15",
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"formula_anonymous": "ABC2D5",
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{
"id": "jvasp-116856",
"created_at": "2022-09-04T14:38:49.921689Z",
"updated_at": "2022-09-04T14:38:49.921710Z",
"structure_string": "Li6 Mn3 V3 O12\n1.0\n4.872500 -0.001871 -1.530276\n-0.105468 5.841632 -0.871363\n0.015254 -0.007326 7.542456\nLi Mn V O\n6 3 3 12\ndirect\n0.002639 0.589065 0.839098 Li\n0.004588 0.758476 0.509370 Li\n-0.005175 0.084461 0.827326 Li\n0.997360 0.410934 0.160902 Li\n0.005174 0.915538 0.172675 Li\n0.995411 0.241523 0.490630 Li\n0.489647 0.321647 0.837686 Mn\n0.510352 0.678352 0.162314 Mn\n0.499999 0.500000 0.500000 Mn\n0.489047 0.157477 0.157005 V\n0.500000 -0.000000 0.500000 V\n0.510952 0.842522 0.842995 V\n0.285779 0.551897 0.680719 O\n0.738062 0.120538 0.995327 O\n0.749305 0.635572 0.008201 O\n0.741644 0.967705 0.341624 O\n0.714220 0.448102 0.319281 O\n0.743728 0.803064 0.671676 O\n0.712700 0.282468 0.657254 O\n0.250694 0.364427 0.991799 O\n0.261936 0.879461 0.004673 O\n0.287298 0.717531 0.342746 O\n0.256270 0.196935 0.328325 O\n0.258355 0.032294 0.658376 O\n",
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"elements": [
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],
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"volume": 214.7861897058741,
"volume_molar": 5.389469448803488,
"formula_full": "Li6 Mn3 V3 O12",
"formula_reduced": "Li2MnVO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 2
},
{
"id": "jvasp-119349",
"created_at": "2022-09-04T14:38:49.220507Z",
"updated_at": "2022-09-04T14:38:49.220535Z",
"structure_string": "Li4 Mn1 P6 O18\n1.0\n6.638374 0.115127 -2.623276\n-2.174226 6.472070 -2.539025\n0.463874 -0.389218 7.555465\nLi Mn P O\n4 1 6 18\ndirect\n0.389827 0.145143 0.572841 Li\n0.482998 0.529387 0.986201 Li\n0.602122 0.845724 0.416360 Li\n0.229902 0.941435 0.099892 Li\n0.796983 0.072282 0.927391 Mn\n0.994491 0.750694 0.323603 P\n0.220155 0.447215 0.247601 P\n0.317916 0.766040 0.672807 P\n0.680652 0.228306 0.330858 P\n0.009325 0.253653 0.676392 P\n0.776516 0.548317 0.749783 P\n0.293977 0.527211 0.500028 O\n0.092407 0.785898 0.566205 O\n0.771391 0.734634 0.260626 O\n0.379445 0.566038 0.212119 O\n0.010378 0.515073 0.195285 O\n0.345685 0.772343 0.878012 O\n0.845048 0.784531 0.864391 O\n0.704816 0.468243 0.497069 O\n0.231943 0.271176 0.741263 O\n0.657419 0.217001 0.123671 O\n0.987558 0.484194 0.804354 O\n0.619016 0.426912 0.785044 O\n0.480700 0.918593 0.665240 O\n0.909966 0.213510 0.435066 O\n0.521903 0.077335 0.339682 O\n0.863326 0.093657 0.689333 O\n0.143466 0.209401 0.129931 O\n0.140644 0.906057 0.308932 O\n",
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],
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"density_atomic": 0.08910349041203537,
"volume": 325.46424237588474,
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"formula_full": "Li4 Mn1 P6 O18",
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},
{
"id": "jvasp-119217",
"created_at": "2022-09-04T14:38:53.263647Z",
"updated_at": "2022-09-04T14:38:53.263679Z",
"structure_string": "Al2 Co3 Ge1 O8\n1.0\n5.073135 0.079807 -2.916865\n-1.618679 4.724668 -3.050993\n-0.002611 -0.079807 5.851905\nAl Co Ge O\n2 3 1 8\ndirect\n0.617550 0.376071 0.241480 Al\n0.134592 0.376071 0.758521 Al\n0.245771 0.745771 0.500000 Co\n0.624780 0.394941 0.770161 Co\n0.624780 0.854619 0.229841 Co\n0.013723 0.013723 0.000000 Ge\n0.876760 0.138931 0.262173 O\n0.876760 0.614587 0.737829 O\n0.889165 0.142724 0.746441 O\n0.396284 0.142724 0.253561 O\n0.377671 0.598602 0.220932 O\n0.377671 0.156740 0.779068 O\n0.344976 0.597250 0.747726 O\n0.849525 0.597250 0.252276 O\n",
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],
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"density": 5.139857707603453,
"density_atomic": 0.10045048678768774,
"volume": 139.37214689253238,
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"formula_full": "Al2 Co3 Ge1 O8",
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{
"id": "jvasp-51685",
"created_at": "2022-09-04T14:37:27.048931Z",
"updated_at": "2022-09-04T14:37:27.048958Z",
"structure_string": "Cu4 H6 Cl2 O6\n1.0\n3.480119 2.009247 4.616139\n-3.480119 2.009247 4.616139\n-0.000000 -4.018494 4.616139\nCu H Cl O\n4 6 2 6\ndirect\n0.500001 0.500001 0.499999 Cu\n0.500000 0.500000 -0.000001 Cu\n0.500000 0.000000 0.499999 Cu\n0.000000 0.500000 0.499999 Cu\n0.821146 0.221268 0.221267 H\n0.221268 0.221268 0.821144 H\n0.221268 0.821146 0.221267 H\n0.778733 0.178855 0.778732 H\n0.778733 0.778733 0.178854 H\n0.178855 0.778733 0.778732 H\n0.820779 0.820779 0.820777 Cl\n0.179222 0.179222 0.179221 Cl\n0.267213 0.267213 0.640142 O\n0.359858 0.732788 0.732786 O\n0.732788 0.732788 0.359856 O\n0.732788 0.359858 0.732786 O\n0.640143 0.267213 0.267212 O\n0.267213 0.640143 0.267212 O\n",
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{
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"created_at": "2022-09-04T14:37:14.949678Z",
"updated_at": "2022-09-04T14:37:14.949711Z",
"structure_string": "Rb2 S2 O8 F2\n1.0\n5.492050 0.025328 0.057022\n-0.359228 5.501961 -0.010196\n-2.087658 -1.501493 7.016097\nRb S O F\n2 2 8 2\ndirect\n0.107947 0.336226 0.245272 Rb\n0.892052 0.663775 0.754728 Rb\n0.381809 0.225305 0.790777 S\n0.618191 0.774696 0.209222 S\n0.160604 0.185642 0.856579 O\n0.648570 0.615798 0.345911 O\n0.371304 0.738933 0.067846 O\n0.351429 0.384203 0.654089 O\n0.568919 0.054009 0.317692 O\n0.431080 0.945992 0.682308 O\n0.839396 0.814358 0.143421 O\n0.628695 0.261067 0.932153 O\n0.796242 0.149014 0.488703 F\n0.203757 0.850987 0.511297 F\n",
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{
"id": "jvasp-56598",
"created_at": "2022-09-04T14:37:14.885605Z",
"updated_at": "2022-09-04T14:37:14.885633Z",
"structure_string": "Mn2 Os1 C6 N6\n1.0\n3.006375 -5.207195 0.000000\n3.006375 5.207195 0.000000\n-0.000000 0.000000 6.795691\nMn Os C N\n2 1 6 6\ndirect\n0.333334 0.666668 0.500002 Mn\n0.666668 0.333334 0.499998 Mn\n0.000000 0.000000 0.000000 Os\n0.739155 0.000004 0.813374 C\n0.260846 -0.000004 0.186626 C\n0.260850 0.260846 0.813374 C\n-0.000004 0.739151 0.813374 C\n0.000004 0.260850 0.186626 C\n0.739152 0.739156 0.186626 C\n0.607257 0.607260 0.316061 N\n0.000003 0.392745 0.316061 N\n0.392745 0.392741 0.683938 N\n-0.000003 0.607256 0.683938 N\n0.392741 -0.000003 0.316061 N\n0.607260 0.000003 0.683938 N\n",
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"volume": 212.77010690497846,
"volume_molar": 8.542210222013521,
"formula_full": "Mn2 Os1 C6 N6",
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},
{
"id": "jvasp-30479",
"created_at": "2022-09-04T14:37:07.427039Z",
"updated_at": "2022-09-04T14:37:07.427053Z",
"structure_string": "Lu4 H8 Cl4 O8\n1.0\n12.601651 0.000000 0.000000\n0.000000 3.486115 -0.000000\n0.000000 -0.000000 6.161934\nLu H Cl O\n4 8 4 8\ndirect\n0.051657 0.749999 0.249677 Lu\n0.551658 0.749999 0.250323 Lu\n0.448343 0.249999 0.749676 Lu\n0.948342 0.249999 0.750323 Lu\n0.620270 0.749999 0.810533 H\n0.120271 0.749999 0.689466 H\n0.654650 0.249999 0.545946 H\n0.154650 0.249999 0.954052 H\n0.879730 0.249999 0.310533 H\n0.379729 0.249999 0.189467 H\n0.845349 0.749999 0.045946 H\n0.345349 0.749999 0.454053 H\n0.712325 0.249999 0.115881 Cl\n0.212325 0.249999 0.384118 Cl\n0.787674 0.749999 0.615881 Cl\n0.287675 0.749999 0.884117 Cl\n0.547800 0.749999 0.869980 O\n0.080207 0.249999 0.001387 O\n0.452200 0.249999 0.130019 O\n0.952200 0.249999 0.369981 O\n0.580208 0.249999 0.498613 O\n0.419793 0.749999 0.501387 O\n0.047801 0.749999 0.630019 O\n0.919792 0.749999 0.998612 O\n",
"nsites": 24,
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"volume": 270.6987183633781,
"volume_molar": 6.792440773066081,
"formula_full": "Lu4 H8 Cl4 O8",
"formula_reduced": "LuH2ClO2",
"formula_anonymous": "ABC2D2",
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},
{
"id": "jvasp-10231",
"created_at": "2022-09-04T14:37:06.200982Z",
"updated_at": "2022-09-04T14:37:06.200992Z",
"structure_string": "K2 Na4 B2 O6\n1.0\n5.582349 0.000000 0.000000\n0.000000 5.611800 0.000000\n0.000000 0.000000 6.006990\nK Na B O\n2 4 2 6\ndirect\n0.918858 0.500000 0.000000 K\n0.081142 0.000000 0.500000 K\n0.373870 0.500000 0.270242 Na\n0.373870 0.500000 0.729758 Na\n0.626131 0.000000 0.229758 Na\n0.626131 0.000000 0.770242 Na\n0.796537 0.500000 0.500000 B\n0.203463 0.000000 0.000000 B\n0.665460 0.287069 0.500000 O\n0.334541 0.212931 0.000000 O\n0.044813 0.500000 0.500000 O\n0.955188 0.000000 0.000000 O\n0.334541 0.787069 0.000000 O\n0.665460 0.712931 0.500000 O\n",
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],
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"density_atomic": 0.07439640629722022,
"volume": 188.18113262176618,
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"formula_full": "K2 Na4 B2 O6",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 59
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{
"id": "jvasp-9986",
"created_at": "2022-09-04T14:37:14.852572Z",
"updated_at": "2022-09-04T14:37:14.852595Z",
"structure_string": "Ba2 Ho1 Ru1 O6\n1.0\n5.134221 0.000000 2.964244\n1.711407 4.840590 2.964244\n-0.000000 -0.000000 5.928487\nBa Ho Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Ru\n0.235203 0.764798 0.764797 O\n0.235203 0.764798 0.235202 O\n0.764798 0.235202 0.764797 O\n0.235202 0.235202 0.764798 O\n0.764798 0.235202 0.235202 O\n0.764798 0.764798 0.235201 O\n",
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],
"chemical_system": "Ba-Ho-O-Ru",
"density": 7.17519324500291,
"density_atomic": 0.06787084716803768,
"volume": 147.3386647914023,
"volume_molar": 8.872941787642805,
"formula_full": "Ba2 Ho1 Ru1 O6",
"formula_reduced": "Ba2HoRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1093739006666663,
"spacegroup": 225
}
]
}