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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4482",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4480",
"results": [
{
"id": "jvasp-98302",
"created_at": "2022-09-04T14:36:00.022458Z",
"updated_at": "2022-09-04T14:36:00.022483Z",
"structure_string": "H36 Br4 O16\n1.0\n6.529724 0.170658 -2.280859\n0.389294 11.303198 0.296321\n0.193202 0.184085 7.206064\nH Br O\n36 4 16\ndirect\n0.330629 0.168428 0.987829 H\n0.867441 0.745390 0.293512 H\n0.919043 0.654894 0.491188 H\n0.339308 0.435044 0.523588 H\n0.187823 0.320517 0.489179 H\n0.656906 0.874935 0.661102 H\n0.807703 0.836677 0.533961 H\n0.618904 0.518957 0.671053 H\n0.572492 0.147199 0.387661 H\n0.605435 0.993820 0.435437 H\n0.367370 0.060093 0.343553 H\n0.854647 0.505942 0.169695 H\n0.004095 0.509889 0.043268 H\n0.141558 0.439080 0.315084 H\n0.988985 0.029005 0.952019 H\n0.905918 0.001777 0.734927 H\n0.127928 0.231313 0.719905 H\n0.110011 0.145232 0.547525 H\n0.470587 0.518314 0.801536 H\n0.347349 0.758105 0.371624 H\n0.347144 0.309538 0.004525 H\n0.702391 0.848883 0.031761 H\n0.861030 0.751017 0.003279 H\n0.943499 0.177890 0.159767 H\n0.783534 0.258111 0.952337 H\n0.051308 0.257992 0.038141 H\n0.031039 0.667360 0.837052 H\n0.161854 0.753665 0.983699 H\n0.578837 0.169307 0.818224 H\n0.642857 0.263685 0.680384 H\n0.403346 0.862198 0.110713 H\n0.494090 0.730058 0.140562 H\n0.629039 0.331260 0.361172 H\n0.829081 0.251815 0.491598 H\n0.156785 0.742958 0.476534 H\n0.380840 0.658114 0.563243 H\n0.514510 0.486861 0.125614 Br\n0.459728 -0.004096 0.868478 Br\n0.063800 0.008221 0.308997 Br\n0.943871 0.490756 0.702976 Br\n-0.001991 0.519186 0.177199 O\n0.513609 0.066681 0.345679 O\n0.471752 0.530922 0.663454 O\n0.724262 0.902672 0.566971 O\n0.255370 0.383150 0.423123 O\n0.938013 0.735872 0.442440 O\n0.084805 0.228567 0.575253 O\n0.316919 0.739748 0.500054 O\n0.389536 0.782543 0.168296 O\n0.614332 0.253863 0.808135 O\n0.027646 0.746859 0.886290 O\n0.925696 0.257811 0.084510 O\n0.756718 0.765859 0.073419 O\n0.251772 0.245701 0.973871 O\n0.676358 0.259730 0.453346 O\n0.949370 0.066995 0.819315 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 1.8961904348413852,
"density_atomic": 0.10450713344204066,
"volume": 535.8485890444736,
"volume_molar": 5.762420766559311,
"formula_full": "H36 Br4 O16",
"formula_reduced": "H9BrO4",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.822646293214286,
"spacegroup": 1
},
{
"id": "jvasp-97977",
"created_at": "2022-09-04T14:36:09.844869Z",
"updated_at": "2022-09-04T14:36:09.844888Z",
"structure_string": "Rb4 B4 Se12\n1.0\n6.208857 0.011997 0.000000\n-1.960142 6.957668 0.000000\n0.000000 0.000000 12.397664\nRb B Se\n4 4 12\ndirect\n0.208298 0.256254 0.424539 Rb\n0.791703 0.743747 0.575460 Rb\n0.708298 0.256254 0.075460 Rb\n0.291703 0.743747 0.924539 Rb\n0.674980 0.697180 0.229176 B\n0.174980 0.697179 0.270824 B\n0.325021 0.302821 0.770824 B\n0.825021 0.302821 0.729176 B\n0.322172 0.055026 0.681481 Se\n0.822172 0.055026 0.818519 Se\n0.677829 0.944975 0.318519 Se\n0.333784 0.794722 0.413772 Se\n0.666217 0.205279 0.586228 Se\n0.833785 0.794722 0.086228 Se\n0.356884 0.532396 0.191490 Se\n0.143116 0.467604 0.691490 Se\n0.643117 0.467605 0.808510 Se\n0.856885 0.532396 0.308510 Se\n0.177829 0.944975 0.181481 Se\n0.166216 0.205278 0.913772 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"B",
"Se"
],
"chemical_system": "B-Rb-Se",
"density": 4.129607818123257,
"density_atomic": 0.03732316176689458,
"volume": 535.8602822802617,
"volume_molar": 16.135130237925345,
"formula_full": "Rb4 B4 Se12",
"formula_reduced": "RbBSe3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-29601",
"created_at": "2022-09-04T14:38:17.955201Z",
"updated_at": "2022-09-04T14:38:17.955228Z",
"structure_string": "Cr6 Cl18\n1.0\n5.972620 -0.000000 -0.000000\n-2.986310 5.172440 0.000000\n0.000000 0.000000 17.352296\nCr Cl\n6 18\ndirect\n0.999836 0.000164 0.666667 Cr\n0.666506 0.333494 0.666667 Cr\n0.999836 0.999673 0.333333 Cr\n0.666506 0.333011 0.333333 Cr\n0.666989 0.333494 0.000000 Cr\n0.000327 0.000164 0.000000 Cr\n0.333164 0.018458 0.589912 Cl\n0.684803 0.666822 0.589911 Cl\n0.684803 0.017981 0.410089 Cl\n0.333658 0.315136 0.076771 Cl\n0.982019 0.666822 0.076756 Cl\n0.981478 0.666343 0.410104 Cl\n0.982019 0.315197 0.923244 Cl\n0.684864 0.018522 0.743438 Cl\n0.981542 0.666836 0.743422 Cl\n0.333164 0.314706 0.410088 Cl\n0.981542 0.314706 0.256578 Cl\n0.333178 0.315197 0.743423 Cl\n0.333178 0.017981 0.256577 Cl\n0.685294 0.018458 0.076755 Cl\n0.981478 0.315136 0.589896 Cl\n0.685294 0.666836 0.923245 Cl\n0.684864 0.666343 0.256562 Cl\n0.333658 0.018522 0.923229 Cl\n",
"nsites": 24,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Cr",
"density": 2.943168383696843,
"density_atomic": 0.04477070657813781,
"volume": 536.0648029557691,
"volume_molar": 13.45107374950544,
"formula_full": "Cr6 Cl18",
"formula_reduced": "CrCl3",
"formula_anonymous": "AB3",
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"spacegroup": 162
},
{
"id": "jvasp-116689",
"created_at": "2022-09-04T14:38:44.470708Z",
"updated_at": "2022-09-04T14:38:44.470733Z",
"structure_string": "La4 U2 Te10\n1.0\n10.000007 -0.026066 0.120403\n8.033670 5.954911 0.120403\n0.001799 0.000591 8.971282\nLa U Te\n4 2 10\ndirect\n0.254106 0.249022 0.269158 La\n0.595808 0.581031 0.260899 La\n0.750979 0.745894 0.730841 La\n0.418969 0.404192 0.739100 La\n0.899896 0.935983 0.262929 U\n0.064017 0.100105 0.737070 U\n0.248375 0.241805 0.638361 Te\n0.921867 0.915240 0.628694 Te\n0.571354 0.593788 0.638820 Te\n0.758196 0.751625 0.361638 Te\n0.406212 0.428646 0.361179 Te\n0.084759 0.078133 0.371305 Te\n0.585251 0.050468 0.003083 Te\n0.242900 0.757100 -0.000000 Te\n0.949532 0.414749 0.996916 Te\n0.747796 0.252205 -0.000000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"U",
"Te"
],
"chemical_system": "La-Te-U",
"density": 7.147780005665973,
"density_atomic": 0.02984465293377378,
"volume": 536.1094342596143,
"volume_molar": 20.178290474221026,
"formula_full": "La4 U2 Te10",
"formula_reduced": "La2UTe5",
"formula_anonymous": "AB2C5",
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"spacegroup": 5
},
{
"id": "jvasp-50540",
"created_at": "2022-09-04T14:37:11.222799Z",
"updated_at": "2022-09-04T14:37:11.222811Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n0.000021 8.028040 0.000000\n4.014010 -4.014031 8.320830\n8.028040 -0.000021 -0.000000\nBa Ca I\n2 2 8\ndirect\n0.875000 0.250000 0.375000 Ba\n0.125000 0.750000 0.625000 Ba\n0.625000 0.750000 0.125000 Ca\n0.375000 0.250000 0.875000 Ca\n0.080489 0.056053 0.224932 I\n0.275068 0.556053 0.024435 I\n0.780986 0.556053 0.419511 I\n0.524435 0.943947 0.280986 I\n0.475565 0.056053 0.719014 I\n0.219014 0.443947 0.580489 I\n0.724932 0.443947 0.975565 I\n0.919511 0.943947 0.775068 I\n",
"nsites": 12,
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"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.242271563310331,
"density_atomic": 0.022376674342815022,
"volume": 536.2727193575621,
"volume_molar": 26.912581680993462,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
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"spacegroup": 88
},
{
"id": "jvasp-11954",
"created_at": "2022-09-04T14:36:34.910404Z",
"updated_at": "2022-09-04T14:36:34.910435Z",
"structure_string": "Mg13 Al14\n1.0\n8.358545 -0.000000 -2.955192\n-4.179273 7.238713 -2.955192\n-0.000000 0.000000 8.865576\nMg Al\n13 14\ndirect\n0.000000 0.000000 0.000000 Mg\n0.309153 0.654576 0.654577 Mg\n0.690848 0.345424 0.345424 Mg\n0.345424 0.000000 0.654577 Mg\n0.345424 0.345424 0.690848 Mg\n0.345424 0.654576 0.000000 Mg\n0.345424 0.690847 0.345424 Mg\n0.000000 0.654576 0.345424 Mg\n0.654577 0.654576 0.309153 Mg\n0.654577 0.000000 0.345424 Mg\n0.654577 0.345424 0.000000 Mg\n0.654577 0.309152 0.654577 Mg\n0.000000 0.345424 0.654577 Mg\n0.000000 0.699836 0.699837 Al\n0.300164 0.000000 0.300164 Al\n0.699837 0.000000 0.699837 Al\n0.699837 0.699836 0.000000 Al\n0.300164 0.300163 0.000000 Al\n0.344762 0.344762 0.344762 Al\n0.000000 0.000000 0.655238 Al\n0.000000 0.344762 0.000000 Al\n0.000000 0.000000 0.344762 Al\n0.000000 0.655238 0.000000 Al\n0.655238 0.655238 0.655239 Al\n0.000000 0.300163 0.300164 Al\n0.344762 0.000000 0.000000 Al\n0.655238 0.000000 0.000000 Al\n",
"nsites": 27,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 2.1474639721984534,
"density_atomic": 0.05033438469453382,
"volume": 536.412636488077,
"volume_molar": 11.964268156940413,
"formula_full": "Mg13 Al14",
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"spacegroup": 229
},
{
"id": "jvasp-45298",
"created_at": "2022-09-04T14:38:34.458888Z",
"updated_at": "2022-09-04T14:38:34.458917Z",
"structure_string": "Na8 S16\n1.0\n8.085786 0.029998 -3.829736\n-4.855243 7.403846 -1.287396\n0.019671 -0.029998 8.946866\nNa S\n8 16\ndirect\n0.000000 0.171326 0.171326 Na\n0.000000 0.828674 0.828674 Na\n0.500001 0.578675 0.078674 Na\n0.500001 0.921326 0.421326 Na\n0.525222 0.375000 0.400222 Na\n0.974779 0.599779 0.125000 Na\n0.025222 0.150222 0.625000 Na\n0.474779 0.875000 0.849778 Na\n0.738796 0.283130 0.253433 S\n0.529698 0.235362 0.996567 S\n0.470303 0.466871 0.705666 S\n0.029698 0.746567 0.485362 S\n0.970303 0.455666 0.716871 S\n0.261205 0.514638 0.544334 S\n0.216806 0.014268 0.292282 S\n0.721986 0.707718 0.924524 S\n0.716807 0.042283 0.264268 S\n0.278014 0.202538 0.985732 S\n0.761205 0.294334 0.764638 S\n0.778015 0.735732 0.452538 S\n0.221986 0.674524 0.957718 S\n0.283194 0.547462 0.325476 S\n0.783194 0.075476 0.797462 S\n0.238795 0.003433 0.533130 S\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 2.156767001166886,
"density_atomic": 0.04472585698761816,
"volume": 536.6023507753943,
"volume_molar": 13.464562035484663,
"formula_full": "Na8 S16",
"formula_reduced": "NaS2",
"formula_anonymous": "AB2",
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"spacegroup": 122
},
{
"id": "jvasp-88720",
"created_at": "2022-09-04T14:36:06.662160Z",
"updated_at": "2022-09-04T14:36:06.662186Z",
"structure_string": "K11 Li1 Mn4 O16\n1.0\n7.312291 0.000000 -2.998409\n-1.229500 7.208184 -2.998409\n-0.068280 -0.080912 10.249017\nK Li Mn O\n11 1 4 16\ndirect\n0.286672 0.286672 0.573344 K\n0.500000 -0.000000 -0.000000 K\n0.250000 0.750000 0.500000 K\n0.926110 0.926109 0.244188 K\n0.073890 0.681921 0.755811 K\n0.713328 0.713328 0.426656 K\n-0.000000 0.500000 -0.000000 K\n0.681921 0.073890 0.755812 K\n0.318079 0.318079 0.244189 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Li\n0.615112 0.615112 0.748953 Mn\n0.384888 0.866158 0.251047 Mn\n0.866159 0.384888 0.251047 Mn\n0.133841 0.133841 0.748953 Mn\n0.918967 0.203421 0.122388 O\n0.889130 0.583336 0.225214 O\n0.991749 0.991749 0.559178 O\n0.663916 0.416664 0.774786 O\n0.081033 0.081033 0.877612 O\n0.567427 0.567427 0.559178 O\n0.203421 0.918967 0.122388 O\n0.358121 0.110870 0.774786 O\n0.008251 0.432572 0.440822 O\n0.336085 0.641879 0.225214 O\n0.641879 0.336085 0.225214 O\n0.796578 0.796578 0.877611 O\n0.432572 0.008251 0.440822 O\n0.110870 0.358121 0.774786 O\n0.583336 0.889130 0.225214 O\n0.416664 0.663916 0.774786 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 2.824283512242464,
"density_atomic": 0.059628000981804576,
"volume": 536.6606203982046,
"volume_molar": 10.099518113709111,
"formula_full": "K11 Li1 Mn4 O16",
"formula_reduced": "K11LiMn4O16",
"formula_anonymous": "AB4C11D16",
"energy_above_hull": 1.7939497801724136,
"spacegroup": 121
},
{
"id": "jvasp-122479",
"created_at": "2022-09-04T14:38:54.050692Z",
"updated_at": "2022-09-04T14:38:54.050720Z",
"structure_string": "La4 Cu4 Pb4 S12\n1.0\n4.145298 -0.000000 0.000000\n0.000000 8.102968 0.000000\n-0.000000 -0.000000 15.977879\nLa Cu Pb S\n4 4 4 12\ndirect\n0.250000 0.249898 0.959966 La\n0.250000 0.749898 0.540034 La\n0.750000 0.750102 0.040034 La\n0.750000 0.250102 0.459966 La\n0.250000 0.126173 0.631075 Cu\n0.250000 0.626173 0.868925 Cu\n0.750000 0.873827 0.368925 Cu\n0.750000 0.373827 0.131075 Cu\n0.750000 0.913524 0.780028 Pb\n0.750000 0.413524 0.719972 Pb\n0.250000 0.086477 0.219972 Pb\n0.250000 0.586477 0.280028 Pb\n0.750000 0.989571 0.597955 S\n0.250000 0.181748 0.778718 S\n0.250000 0.681748 0.721282 S\n0.750000 0.818252 0.221282 S\n0.750000 0.318252 0.278718 S\n0.250000 0.380088 0.563046 S\n0.250000 0.880088 0.936954 S\n0.750000 0.619912 0.436954 S\n0.750000 0.119912 0.063046 S\n0.250000 0.010429 0.402045 S\n0.250000 0.510429 0.097955 S\n0.750000 0.489571 0.902045 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Cu",
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"S"
],
"chemical_system": "Cu-La-Pb-S",
"density": 6.260496885712222,
"density_atomic": 0.04471901541943684,
"volume": 536.6844456411835,
"volume_molar": 13.466621980640731,
"formula_full": "La4 Cu4 Pb4 S12",
"formula_reduced": "LaCuPbS3",
"formula_anonymous": "ABCD3",
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"spacegroup": 62
},
{
"id": "jvasp-29960",
"created_at": "2022-09-04T14:38:02.758108Z",
"updated_at": "2022-09-04T14:38:02.758127Z",
"structure_string": "Nb6 Ir2 Se16\n1.0\n6.254180 -0.000996 3.127161\n-3.154629 6.078440 -1.506407\n-2.521576 0.069827 12.862672\nNb Ir Se\n6 2 16\ndirect\n0.018327 0.523580 0.999395 Nb\n0.256372 0.023662 0.499328 Nb\n0.029683 0.997605 0.002768 Nb\n0.498141 0.534864 0.998216 Nb\n0.789024 0.034953 0.498142 Nb\n0.715667 0.497690 0.502694 Nb\n0.252743 0.452885 0.500796 Ir\n0.449698 0.952792 0.000868 Ir\n0.865815 0.346513 0.629015 Se\n0.850251 0.840645 0.631034 Se\n0.414482 0.175395 0.871830 Se\n0.658352 0.186349 0.367354 Se\n0.639631 0.675489 0.371760 Se\n0.394399 0.662638 0.856283 Se\n0.342340 0.314341 0.645592 Se\n0.601986 0.846409 0.129087 Se\n0.162507 0.162716 0.356220 Se\n0.354752 0.804998 0.609475 Se\n0.911033 0.686255 0.867419 Se\n0.109675 0.340545 0.131099 Se\n0.150750 0.652669 0.390629 Se\n0.076719 0.814241 0.145660 Se\n0.591108 0.304913 0.109536 Se\n0.861673 0.152576 0.890702 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.821183901029243,
"density_atomic": 0.04470617992155246,
"volume": 536.8385319907374,
"volume_molar": 13.470488354333263,
"formula_full": "Nb6 Ir2 Se16",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2180746861111107,
"spacegroup": 9
},
{
"id": "jvasp-5512",
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