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"results": [
{
"id": "jvasp-55743",
"created_at": "2022-09-04T14:37:04.213657Z",
"updated_at": "2022-09-04T14:37:04.213685Z",
"structure_string": "Rb4 Cu2 H8 Cl8 O4\n1.0\n7.572529 -0.000000 0.000000\n-0.000000 7.572529 0.000000\n0.000000 0.000000 8.006481\nRb Cu H Cl O\n4 2 8 8 4\ndirect\n0.500000 0.000000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.000000 0.500000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.575630 0.424371 0.819174 H\n0.075629 0.075629 0.319174 H\n0.575630 0.424371 0.180826 H\n0.424371 0.575630 0.819174 H\n0.924371 0.924371 0.319174 H\n0.075629 0.075629 0.680826 H\n0.924371 0.924371 0.680826 H\n0.424371 0.575630 0.180826 H\n0.716514 0.283486 0.000000 Cl\n0.785892 0.785892 0.000000 Cl\n0.783486 0.783486 0.500000 Cl\n0.285892 0.714108 0.500000 Cl\n0.214108 0.214108 0.000000 Cl\n0.216514 0.216514 0.500000 Cl\n0.283486 0.716514 0.000000 Cl\n0.714108 0.285892 0.500000 Cl\n0.500000 0.500000 0.253776 O\n0.000000 0.000000 0.246224 O\n0.500000 0.500000 0.746224 O\n0.000000 0.000000 0.753776 O\n",
"nsites": 26,
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"elements": [
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"O"
],
"chemical_system": "Cl-Cu-H-O-Rb",
"density": 2.98259515644774,
"density_atomic": 0.056630419689592176,
"volume": 459.1172048964774,
"volume_molar": 10.634109358555186,
"formula_full": "Rb4 Cu2 H8 Cl8 O4",
"formula_reduced": "Rb2CuH4(Cl2O)2",
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"spacegroup": 136
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{
"id": "jvasp-98628",
"created_at": "2022-09-04T14:36:15.276838Z",
"updated_at": "2022-09-04T14:36:15.276859Z",
"structure_string": "Rb1 Co1 H24 C14 N8\n1.0\n-4.331392 4.331392 6.092309\n4.331392 -4.331392 6.092309\n4.331392 4.331392 -6.092309\nRb Co H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Co\n0.463673 0.189296 0.391491 H\n0.797805 0.072182 0.608509 H\n0.072182 0.463673 0.274376 H\n0.536327 0.810704 0.608509 H\n0.202194 0.927818 0.391491 H\n0.810704 0.202194 0.274376 H\n0.927818 0.536327 0.725623 H\n0.632585 0.292689 0.676669 H\n0.616019 0.955916 0.323331 H\n0.292689 0.616019 0.660103 H\n0.955916 0.632585 0.339897 H\n0.189296 0.797805 0.725623 H\n0.383980 0.044084 0.676669 H\n0.707311 0.383981 0.339897 H\n0.044084 0.367414 0.660103 H\n0.601932 0.437388 0.576649 H\n0.860738 0.025283 0.423351 H\n0.437388 0.860738 0.835455 H\n0.025283 0.601932 0.164545 H\n0.398068 0.562612 0.423351 H\n0.139261 -0.025283 0.576649 H\n0.367415 0.707311 0.323331 H\n0.562612 0.139262 0.164545 H\n-0.025283 0.398067 0.835455 H\n0.400012 0.703922 0.461055 C\n0.061044 0.599988 0.303910 C\n0.599988 0.296078 0.538944 C\n0.757134 0.061044 0.461055 C\n0.242866 0.938956 0.538944 C\n0.296078 0.757134 0.696090 C\n0.703922 0.242866 0.303910 C\n0.126673 0.177788 0.304460 C\n0.873327 0.822212 0.695539 C\n0.822212 0.126673 0.948885 C\n0.177788 0.873327 0.051115 C\n0.155476 0.155476 -0.000000 C\n0.844524 0.844524 -0.000000 C\n0.938956 0.400012 0.696090 C\n0.750000 0.250000 0.500000 N\n0.748340 0.748340 -0.000000 N\n0.251660 0.251660 0.000000 N\n0.286160 0.792169 0.078329 N\n0.713840 0.207830 0.921671 N\n0.207830 0.286159 0.493990 N\n0.792169 0.713840 0.506010 N\n0.250000 0.750000 0.500000 N\n",
"nsites": 48,
"nelements": 5,
"elements": [
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"Co",
"H",
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"N"
],
"chemical_system": "C-Co-H-N-Rb",
"density": 1.6300471612425345,
"density_atomic": 0.10498913156989427,
"volume": 457.19018037638523,
"volume_molar": 5.7359658756591285,
"formula_full": "Rb1 Co1 H24 C14 N8",
"formula_reduced": "RbCoH24(C7N4)2",
"formula_anonymous": "ABC8D14E24",
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"spacegroup": 87
},
{
"id": "jvasp-85550",
"created_at": "2022-09-04T14:36:18.090749Z",
"updated_at": "2022-09-04T14:36:18.090769Z",
"structure_string": "Rb2 Cd2 H4 I6 O2\n1.0\n5.461390 4.945281 -0.083493\n-5.461390 4.945281 0.083493\n-0.043391 0.000000 8.816563\nRb Cd H I O\n2 2 4 6 2\ndirect\n0.508031 0.719008 0.824673 Rb\n0.280992 0.491969 0.324673 Rb\n0.970706 0.966014 0.496979 Cd\n0.033986 0.029294 -0.003021 Cd\n0.126657 0.487072 0.680231 H\n0.512928 0.873343 0.180232 H\n0.274219 0.351428 0.703001 H\n0.648571 0.725781 0.203001 H\n0.796040 0.614206 0.487487 I\n0.385794 0.203960 0.987487 I\n0.846114 0.171722 0.242853 I\n0.828278 0.153886 0.742853 I\n0.348714 -0.004199 0.486657 I\n0.004199 0.651286 0.986656 I\n0.250620 0.465650 0.650617 O\n0.534349 0.749379 0.150617 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
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"H",
"I",
"O"
],
"chemical_system": "Cd-H-I-O-Rb",
"density": 4.16080148934441,
"density_atomic": 0.033599219147461674,
"volume": 476.2015429518919,
"volume_molar": 17.923454511159242,
"formula_full": "Rb2 Cd2 H4 I6 O2",
"formula_reduced": "RbCdH2I3O",
"formula_anonymous": "ABCD2E3",
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"spacegroup": 9
},
{
"id": "jvasp-86189",
"created_at": "2022-09-04T14:35:42.247945Z",
"updated_at": "2022-09-04T14:35:42.247977Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n6.870921 0.000000 -0.000000\n-3.435461 5.950392 -0.000000\n-0.000000 0.000000 8.489219\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.508280 0.016559 0.500000 Ag\n0.508280 0.491720 0.500000 Ag\n0.983441 0.491720 0.500000 Ag\n0.986540 0.344130 0.291944 C\n0.357589 0.344130 0.708056 C\n0.986540 0.642410 0.708056 C\n0.655870 0.642410 0.291944 C\n0.655870 0.013460 0.708056 C\n0.357589 0.013460 0.291944 C\n0.990531 0.262515 0.172125 N\n0.737485 0.728016 0.172125 N\n0.737485 0.009469 0.827875 N\n0.271984 0.262515 0.827875 N\n0.271984 0.009469 0.172125 N\n0.990531 0.728016 0.827875 N\n",
"nsites": 17,
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"elements": [
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"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 3.2418014013845067,
"density_atomic": 0.04898021100017427,
"volume": 347.07894582037454,
"volume_molar": 12.295048626839467,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 4.690197119411764,
"spacegroup": 149
},
{
"id": "jvasp-86791",
"created_at": "2022-09-04T14:35:49.426951Z",
"updated_at": "2022-09-04T14:35:49.426969Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n6.873339 0.000000 0.000000\n-3.436670 5.952486 -0.000000\n-0.000000 0.000000 8.486904\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.508212 0.016423 0.500000 Ag\n0.508212 0.491789 0.500000 Ag\n0.983577 0.491789 0.500000 Ag\n0.986589 0.344168 0.291909 C\n0.357579 0.344168 0.708090 C\n0.986589 0.642422 0.708090 C\n0.655832 0.642422 0.291909 C\n0.655832 0.013411 0.708090 C\n0.357579 0.013411 0.291909 C\n0.990499 0.262458 0.172095 N\n0.737542 0.728041 0.172095 N\n0.737542 0.009502 0.827904 N\n0.271960 0.262458 0.827904 N\n0.271960 0.009502 0.172095 N\n0.990499 0.728041 0.827904 N\n",
"nsites": 17,
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"elements": [
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"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 3.2404045908559693,
"density_atomic": 0.048959106661584685,
"volume": 347.2285578555888,
"volume_molar": 12.300348537047995,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
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"spacegroup": 149
},
{
"id": "jvasp-40499",
"created_at": "2022-09-04T14:38:33.665655Z",
"updated_at": "2022-09-04T14:38:33.665682Z",
"structure_string": "Rb3 Ca3 C3 O9 F3\n1.0\n9.206186 0.000000 0.000000\n-4.603093 7.972855 0.000000\n0.000000 0.000000 4.443823\nRb Ca C O F\n3 3 3 9 3\ndirect\n-0.000003 0.718495 0.000000 Rb\n0.281500 0.281505 0.000000 Rb\n0.718490 0.000000 0.000000 Rb\n0.612641 0.612646 0.500000 Ca\n0.387350 0.000000 0.500000 Ca\n-0.000006 0.387352 0.500000 Ca\n0.333328 0.666665 0.500000 C\n-0.000005 0.000000 0.500000 C\n0.666665 0.333334 0.500000 C\n0.795042 0.484522 0.500000 O\n0.515476 0.310527 0.500000 O\n0.689467 0.204952 0.500000 O\n0.310518 0.515476 0.500000 O\n0.140475 0.000000 0.500000 O\n0.484515 0.795047 0.500000 O\n-0.000001 0.140481 0.500000 O\n0.859518 0.859518 0.500000 O\n0.204949 0.689473 0.500000 O\n0.385212 0.000000 0.000000 F\n0.614777 0.614787 0.000000 F\n0.999990 0.385212 0.000000 F\n",
"nsites": 21,
"nelements": 5,
"elements": [
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"Ca",
"C",
"O",
"F"
],
"chemical_system": "C-Ca-F-O-Rb",
"density": 3.1241081609968675,
"density_atomic": 0.06438266232591026,
"volume": 326.17476881736104,
"volume_molar": 9.353668429421939,
"formula_full": "Rb3 Ca3 C3 O9 F3",
"formula_reduced": "RbCaCO3F",
"formula_anonymous": "ABCDE3",
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"spacegroup": 189
},
{
"id": "jvasp-86948",
"created_at": "2022-09-04T14:36:10.274257Z",
"updated_at": "2022-09-04T14:36:10.274286Z",
"structure_string": "Rb2 C2 S2 O6 F6\n1.0\n5.032536 0.000000 -1.186590\n0.000000 5.905411 0.000000\n-0.058000 0.000000 9.270478\nRb C S O F\n2 2 2 6 6\ndirect\n0.038607 0.830646 0.158571 Rb\n-0.038607 0.330646 0.841429 Rb\n0.368725 0.951703 0.627786 C\n0.631276 0.451703 0.372214 C\n0.593632 0.313510 0.188294 S\n0.406369 0.813510 0.811706 S\n0.480190 0.582752 0.785421 O\n0.519811 0.082752 0.214579 O\n0.387627 0.451298 0.094761 O\n0.143613 0.837015 0.842638 O\n0.856388 0.337015 0.157362 O\n0.612373 0.951298 0.905239 O\n0.396695 0.450545 0.413218 F\n0.817166 0.348697 0.479872 F\n0.603306 0.950545 0.586782 F\n0.293871 0.171232 0.635795 F\n0.706130 0.671232 0.364205 F\n0.182835 0.848697 0.520128 F\n",
"nsites": 18,
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"elements": [
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"S",
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],
"chemical_system": "C-F-O-Rb-S",
"density": 2.831341616830568,
"density_atomic": 0.06542963328055565,
"volume": 275.10470558222175,
"volume_molar": 9.20399589308054,
"formula_full": "Rb2 C2 S2 O6 F6",
"formula_reduced": "RbCS(OF)3",
"formula_anonymous": "ABCD3E3",
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"spacegroup": 4
},
{
"id": "jvasp-88718",
"created_at": "2022-09-04T14:36:01.457956Z",
"updated_at": "2022-09-04T14:36:01.457981Z",
"structure_string": "Rb2 Bi2 C8 S8 N8\n1.0\n6.459106 0.000000 0.000000\n0.000000 7.661090 0.000000\n0.000000 0.000000 11.137638\nRb Bi C S N\n2 2 8 8 8\ndirect\n0.658673 0.000000 0.500000 Rb\n0.341328 0.500000 0.000000 Rb\n0.003163 0.000000 0.000000 Bi\n-0.003163 0.500000 0.500000 Bi\n0.557732 0.539496 0.633313 C\n0.115199 0.799593 0.743253 C\n0.557732 0.460504 0.366687 C\n0.442268 0.039496 0.866687 C\n0.115199 0.200407 0.256747 C\n0.442268 0.960504 0.133313 C\n0.884801 0.700407 0.243253 C\n0.884801 0.299593 0.756747 C\n0.629217 0.086980 0.173510 S\n0.370784 0.586980 0.326490 S\n0.847429 0.658541 0.102368 S\n0.847429 0.341459 0.897632 S\n0.152572 0.158541 0.397632 S\n0.152572 0.841459 0.602369 S\n0.370784 0.413020 0.673510 S\n0.629217 0.913020 0.826490 S\n0.089368 0.773216 0.847368 N\n0.910633 0.726784 0.347368 N\n0.700853 0.372173 0.396587 N\n0.700853 0.627827 0.603413 N\n0.299148 0.127827 0.896587 N\n0.910633 0.273216 0.652633 N\n0.089368 0.226784 0.152632 N\n0.299148 0.872173 0.103413 N\n",
"nsites": 28,
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"elements": [
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"Bi",
"C",
"S",
"N"
],
"chemical_system": "Bi-C-N-Rb-S",
"density": 3.174318374762096,
"density_atomic": 0.05080447374029257,
"volume": 551.132566457301,
"volume_molar": 11.85356390223543,
"formula_full": "Rb2 Bi2 C8 S8 N8",
"formula_reduced": "RbBiC4(SN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.613802664285714,
"spacegroup": 18
},
{
"id": "jvasp-90270",
"created_at": "2022-09-04T14:35:49.744635Z",
"updated_at": "2022-09-04T14:35:49.744661Z",
"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n0.000000 -4.474434 0.000000\n-3.612381 2.237216 1.401757\n0.047379 0.000000 -7.019153\nRb Be B O F\n1 2 1 3 2\ndirect\n0.004943 0.000000 0.000000 Rb\n0.200345 0.390915 0.586387 Be\n0.809430 0.609085 0.413612 Be\n0.504894 -0.000000 0.500000 B\n0.813056 -0.000000 0.500000 O\n0.196716 0.691817 0.499984 O\n0.504898 0.308182 0.500015 O\n0.730449 0.451187 0.176837 F\n0.279262 0.548813 0.823162 F\n",
"nsites": 9,
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"elements": [
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"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-F-O-Rb",
"density": 2.9393326720324544,
"density_atomic": 0.07953626114503501,
"volume": 113.15593504688921,
"volume_molar": 7.571566318686489,
"formula_full": "Rb1 Be2 B1 O3 F2",
"formula_reduced": "RbBe2BO3F2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.5230117609259255,
"spacegroup": 155
},
{
"id": "jvasp-21476",
"created_at": "2022-09-04T14:38:28.940451Z",
"updated_at": "2022-09-04T14:38:28.940484Z",
"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n4.474446 -0.000000 -0.000000\n-2.237222 3.612629 -1.401731\n-0.000000 -0.047962 7.015186\nRb Be B O F\n1 2 1 3 2\ndirect\n0.004746 0.000000 0.000000 Rb\n0.809456 0.609068 0.413591 Be\n0.200387 0.390933 0.586409 Be\n0.504954 0.000000 0.500000 B\n0.813127 0.000000 0.500000 O\n0.196771 0.691780 0.499920 O\n0.504992 0.308221 0.500081 O\n0.730319 0.451063 0.176699 F\n0.279256 0.548938 0.823302 F\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "B-Be-F-O-Rb",
"density": 2.9408838206241557,
"density_atomic": 0.07957823412775936,
"volume": 113.09625174078248,
"volume_molar": 7.567572749015412,
"formula_full": "Rb1 Be2 B1 O3 F2",
"formula_reduced": "RbBe2BO3F2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.5230173164814813,
"spacegroup": 155
},
{
"id": "jvasp-36727",
"created_at": "2022-09-04T14:38:05.201616Z",
"updated_at": "2022-09-04T14:38:05.201643Z",
"structure_string": "Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Si",
"H",
"O"
],
"chemical_system": "Ba-H-O-Rb-Si",
"density": 4.068471027484291,
"density_atomic": 0.06205002468982901,
"volume": 257.85646468280385,
"volume_molar": 9.705299538723835,
"formula_full": "Rb2 Ba2 Si2 H2 O8",
"formula_reduced": "RbBaSiHO4",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7496623212499998,
"spacegroup": 4
},
{
"id": "jvasp-112651",
"created_at": "2022-09-04T14:38:43.068332Z",
"updated_at": "2022-09-04T14:38:43.068354Z",
"structure_string": "Rb1 Ba3 Ga5 Se10 Cl2\n1.0\n7.843422 0.032790 -3.741626\n-1.846536 7.668806 -3.814266\n0.069311 -0.009561 9.957348\nRb Ba Ga Se Cl\n1 3 5 10 2\ndirect\n0.489089 0.353154 0.229889 Rb\n0.748483 0.874474 0.230277 Ba\n0.119556 0.508933 0.773511 Ba\n0.637312 0.236647 0.770061 Ba\n0.006897 0.002218 0.001125 Ga\n0.071103 0.474519 0.337635 Ga\n0.257759 0.852709 0.320859 Ga\n0.145177 0.935491 0.670294 Ga\n0.527747 0.735222 0.664808 Ga\n0.443387 0.953526 0.858097 Se\n0.045579 0.576068 0.139657 Se\n0.807733 0.716454 0.855468 Se\n0.042330 0.144887 0.851196 Se\n0.289440 0.936358 0.131079 Se\n0.167835 0.075379 0.511766 Se\n0.550811 0.823093 0.470438 Se\n0.931739 0.658583 0.496444 Se\n0.346778 0.447833 0.529011 Se\n0.865321 0.192778 0.153377 Se\n0.500311 0.507524 0.992881 Cl\n0.755605 0.244156 0.512123 Cl\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Ga",
"Se",
"Cl"
],
"chemical_system": "Ba-Cl-Ga-Rb-Se",
"density": 4.713911844609575,
"density_atomic": 0.03493233350513335,
"volume": 601.1622440543237,
"volume_molar": 17.239445968060046,
"formula_full": "Rb1 Ba3 Ga5 Se10 Cl2",
"formula_reduced": "RbBa3Ga5(Se5Cl)2",
"formula_anonymous": "AB2C3D5E10",
"energy_above_hull": 0.5543614922222223,
"spacegroup": 1
}
]
}