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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4388",
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"results": [
{
"id": "jvasp-85330",
"created_at": "2022-09-04T14:36:02.109313Z",
"updated_at": "2022-09-04T14:36:02.109344Z",
"structure_string": "Rb2 C4 I6 N4\n1.0\n4.335466 -0.000000 0.000000\n0.000000 6.700739 0.000000\n0.000000 0.000000 16.116922\nRb C I N\n2 4 6 4\ndirect\n0.144678 0.250000 0.750000 Rb\n0.855323 0.750000 0.250000 Rb\n0.290500 0.750000 0.048110 C\n0.290500 0.750000 0.451890 C\n0.709501 0.250000 0.951890 C\n0.709501 0.250000 0.548110 C\n0.890427 0.250000 0.429457 I\n0.229408 0.250000 0.250000 I\n0.109574 0.750000 0.570543 I\n0.109574 0.750000 0.929457 I\n0.890427 0.250000 0.070543 I\n0.770593 0.750000 0.750000 I\n0.383294 0.750000 0.116244 N\n0.616706 0.250000 0.883756 N\n0.383294 0.750000 0.383756 N\n0.616706 0.250000 0.616244 N\n",
"nsites": 16,
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"elements": [
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"C",
"I",
"N"
],
"chemical_system": "C-I-N-Rb",
"density": 3.6757784592297207,
"density_atomic": 0.034172707696478996,
"volume": 468.2098984403442,
"volume_molar": 17.62266196020661,
"formula_full": "Rb2 C4 I6 N4",
"formula_reduced": "RbC2I3N2",
"formula_anonymous": "AB2C2D3",
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"spacegroup": 59
},
{
"id": "jvasp-106339",
"created_at": "2022-09-04T14:38:39.160332Z",
"updated_at": "2022-09-04T14:38:39.160360Z",
"structure_string": "Rb2 C2 N2 O2\n1.0\n5.257018 -0.016302 -2.320335\n-2.218464 4.746769 -2.359461\n0.019425 0.016302 5.746287\nRb C N O\n2 2 2 2\ndirect\n0.249971 0.000000 0.249971 Rb\n0.749972 0.500000 0.249971 Rb\n0.001122 0.249482 0.750604 C\n0.501123 0.750518 0.751640 C\n0.136962 0.115966 0.752928 N\n0.636963 0.884034 0.020996 N\n0.861947 0.387999 0.749944 O\n0.361946 0.612002 0.473948 O\n",
"nsites": 8,
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"elements": [
"Rb",
"C",
"N",
"O"
],
"chemical_system": "C-N-O-Rb",
"density": 2.946628819272667,
"density_atomic": 0.05567735561241092,
"volume": 143.6849848920759,
"volume_molar": 10.816140051481932,
"formula_full": "Rb2 C2 N2 O2",
"formula_reduced": "RbCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.8903166874999995,
"spacegroup": 46
},
{
"id": "jvasp-87110",
"created_at": "2022-09-04T14:36:05.303875Z",
"updated_at": "2022-09-04T14:36:05.303887Z",
"structure_string": "Rb6 C2 O6 F2\n1.0\n6.535194 -0.078208 3.081263\n1.921888 6.246698 3.081263\n-0.107224 -0.078208 7.224365\nRb C O F\n6 2 6 2\ndirect\n0.250000 0.820612 0.679388 Rb\n0.820612 0.679388 0.250000 Rb\n0.679388 0.250000 0.820612 Rb\n0.750000 0.179388 0.320612 Rb\n0.179388 0.320612 0.750000 Rb\n0.320612 0.750000 0.179388 Rb\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.250000 0.417026 0.082973 O\n0.417026 0.082973 0.250000 O\n0.082974 0.250000 0.417026 O\n0.750000 0.582973 0.917027 O\n0.917026 0.750000 0.582974 O\n0.582974 0.917026 0.750000 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Rb",
"density": 3.7228841813228217,
"density_atomic": 0.05347410173129188,
"volume": 299.2102622013218,
"volume_molar": 11.261789473830422,
"formula_full": "Rb6 C2 O6 F2",
"formula_reduced": "Rb3CO3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.2360775978125,
"spacegroup": 167
},
{
"id": "jvasp-52840",
"created_at": "2022-09-04T14:36:38.453664Z",
"updated_at": "2022-09-04T14:36:38.453690Z",
"structure_string": "Rb2 Ca2 H12 N6\n1.0\n3.302325 5.890693 -1.182012\n-3.302325 5.890693 1.182012\n-0.087098 0.000000 6.616539\nRb Ca H N\n2 2 12 6\ndirect\n0.710905 0.710906 0.750000 Rb\n0.289094 0.289094 0.250000 Rb\n-0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.362724 0.652834 0.396257 H\n0.652834 0.362724 0.103743 H\n0.637276 0.347166 0.603743 H\n0.347166 0.637276 0.896257 H\n0.524833 0.206831 0.697161 H\n0.206831 0.524833 0.802839 H\n0.793168 0.475167 0.197161 H\n0.333061 0.098098 0.828247 H\n0.098098 0.333061 0.671753 H\n0.666938 0.901902 0.171753 H\n0.901902 0.666939 0.328247 H\n0.475166 0.793169 0.302839 H\n0.179351 0.672558 0.842697 N\n0.161027 0.161028 0.750000 N\n0.838972 0.838972 0.250000 N\n0.820648 0.327442 0.157303 N\n0.327442 0.820648 0.342697 N\n0.672558 0.179351 0.657303 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Ca",
"H",
"N"
],
"chemical_system": "Ca-H-N-Rb",
"density": 2.250436280907033,
"density_atomic": 0.08586708424750822,
"volume": 256.2099341417712,
"volume_molar": 7.013328579600346,
"formula_full": "Rb2 Ca2 H12 N6",
"formula_reduced": "RbCa(H2N)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.19765547,
"spacegroup": 15
},
{
"id": "jvasp-12303",
"created_at": "2022-09-04T14:38:14.634066Z",
"updated_at": "2022-09-04T14:38:14.634093Z",
"structure_string": "Rb1 Ca2 Nb3 O10\n1.0\n3.956432 -0.000000 0.000000\n-0.000000 3.956432 -0.000000\n-0.000000 0.000000 15.162358\nRb Ca Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.849829 Ca\n0.500000 0.500000 0.150171 Ca\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.282734 Nb\n0.000000 0.000000 0.717266 Nb\n0.000000 0.000000 0.598143 O\n0.000000 0.000000 0.401858 O\n0.500000 0.000000 0.746338 O\n0.000000 0.500000 0.746338 O\n0.500000 0.000000 0.253662 O\n0.000000 0.500000 0.253662 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.130420 O\n0.000000 0.000000 0.869580 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ca",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Rb",
"density": 4.228185966741769,
"density_atomic": 0.06741333683153636,
"volume": 237.34175983579416,
"volume_molar": 8.933159287232918,
"formula_full": "Rb1 Ca2 Nb3 O10",
"formula_reduced": "RbCa2Nb3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 2.8437615025,
"spacegroup": 123
},
{
"id": "jvasp-9996",
"created_at": "2022-09-04T14:37:06.080785Z",
"updated_at": "2022-09-04T14:37:06.080812Z",
"structure_string": "Rb1 Ca2 Ta3 O10\n1.0\n3.928305 -0.000000 0.000000\n0.000000 3.928305 0.000000\n0.000000 0.000000 15.163770\nRb Ca Ta O\n1 2 3 10\ndirect\n0.499999 0.499999 0.500000 Rb\n0.499999 0.499999 0.849872 Ca\n0.499999 0.499999 0.150128 Ca\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.281562 Ta\n0.000000 0.000000 0.718438 Ta\n0.000000 0.000000 0.599829 O\n0.000000 0.000000 0.400171 O\n0.499999 0.000000 0.746799 O\n0.000000 0.499999 0.746799 O\n0.499999 0.000000 0.253201 O\n0.000000 0.499999 0.253201 O\n0.000000 0.499999 0.000000 O\n0.499999 0.000000 0.000000 O\n0.000000 0.000000 0.129688 O\n0.000000 0.000000 0.870312 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-O-Rb-Ta",
"density": 6.162856419715467,
"density_atomic": 0.06837579590135279,
"volume": 234.0009324803113,
"volume_molar": 8.807415958548066,
"formula_full": "Rb1 Ca2 Ta3 O10",
"formula_reduced": "RbCa2Ta3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 3.11608209,
"spacegroup": 123
},
{
"id": "jvasp-59783",
"created_at": "2022-09-04T14:38:33.097882Z",
"updated_at": "2022-09-04T14:38:33.097913Z",
"structure_string": "Rb1 Cd1 N3 O6\n1.0\n5.805690 -0.000000 -0.000000\n-0.000000 5.805690 0.000000\n-0.000000 0.000000 5.805690\nRb Cd N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.714946 O\n0.000000 0.714946 0.500000 O\n0.000000 0.285054 0.500000 O\n0.500000 0.000000 0.285054 O\n0.285054 0.500000 0.000000 O\n0.714946 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"N",
"O"
],
"chemical_system": "Cd-N-O-Rb",
"density": 2.8503060640881883,
"density_atomic": 0.056212274379092944,
"volume": 195.68679832836003,
"volume_molar": 10.713213130973788,
"formula_full": "Rb1 Cd1 N3 O6",
"formula_reduced": "RbCd(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.0124500454545453,
"spacegroup": 200
},
{
"id": "jvasp-10727",
"created_at": "2022-09-04T14:37:27.167624Z",
"updated_at": "2022-09-04T14:37:27.167660Z",
"structure_string": "Rb1 Cd1 N3 O6\n1.0\n5.385911 -0.014981 -0.056479\n-0.056916 5.385631 -0.056479\n-0.014865 -0.014981 5.386186\nRb Cd N O\n1 1 3 6\ndirect\n0.547628 0.547628 0.547628 Rb\n0.012111 0.012111 0.012111 Cd\n0.071504 0.464561 0.028189 N\n0.464562 0.028189 0.071504 N\n0.028190 0.071504 0.464562 N\n0.580681 0.231463 0.069675 O\n0.069675 0.580682 0.231463 O\n0.833436 0.061545 0.594637 O\n0.594636 0.833436 0.061545 O\n0.061545 0.594636 0.833436 O\n0.231463 0.069676 0.580682 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
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"Cd",
"N",
"O"
],
"chemical_system": "Cd-N-O-Rb",
"density": 3.5703770666299692,
"density_atomic": 0.07041314539336264,
"volume": 156.22082976905182,
"volume_molar": 8.552580241029348,
"formula_full": "Rb1 Cd1 N3 O6",
"formula_reduced": "RbCd(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 2.915400045454545,
"spacegroup": 146
},
{
"id": "jvasp-97712",
"created_at": "2022-09-04T14:35:59.289940Z",
"updated_at": "2022-09-04T14:35:59.289967Z",
"structure_string": "Rb4 Cd2 P4 Se12\n1.0\n6.742601 -0.081175 0.000000\n-1.224224 7.614625 0.000000\n0.000000 0.000000 12.690306\nRb Cd P Se\n4 2 4 12\ndirect\n0.747660 0.018091 0.814554 Rb\n0.752341 0.481911 0.314554 Rb\n0.252341 0.981911 0.185447 Rb\n0.247660 0.518091 0.685447 Rb\n0.500000 0.500001 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.520007 0.871149 0.458200 P\n0.979994 0.628853 0.958200 P\n0.020007 0.371149 0.041800 P\n0.479993 0.128852 0.541800 P\n0.203428 0.450959 0.184218 Se\n0.688773 0.728130 0.569929 Se\n0.188772 0.228129 0.930072 Se\n0.311228 0.271872 0.430072 Se\n0.793177 0.263960 0.569523 Se\n0.706823 0.236041 0.069523 Se\n0.206824 0.736041 0.430477 Se\n0.293178 0.763960 0.930478 Se\n0.703428 0.950959 0.315782 Se\n0.796573 0.549043 0.815782 Se\n0.296573 0.049042 0.684218 Se\n0.811228 0.771872 0.069928 Se\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Cd",
"P",
"Se"
],
"chemical_system": "Cd-P-Rb-Se",
"density": 4.182972774180462,
"density_atomic": 0.0338310926263946,
"volume": 650.2893726475706,
"volume_molar": 17.80060971279893,
"formula_full": "Rb4 Cd2 P4 Se12",
"formula_reduced": "Rb2Cd(PSe3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.1009382681818185,
"spacegroup": 14
},
{
"id": "jvasp-97924",
"created_at": "2022-09-04T14:35:53.567110Z",
"updated_at": "2022-09-04T14:35:53.567137Z",
"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.368888 0.000000 -0.000000\n-0.000000 10.368888 -0.000000\n-0.000000 0.000000 10.368888\nRb Cd S O\n8 8 12 48\ndirect\n0.433515 0.933515 0.566485 Rb\n0.566485 0.433515 0.933515 Rb\n0.690008 0.809993 0.190007 Rb\n0.933515 0.566485 0.433515 Rb\n0.309993 0.309993 0.309993 Rb\n0.190007 0.690008 0.809993 Rb\n0.066485 0.066485 0.066485 Rb\n0.809993 0.190007 0.690008 Rb\n0.668621 0.168621 0.331380 Cd\n0.831380 0.831380 0.831380 Cd\n0.914053 0.414053 0.085947 Cd\n0.085947 0.914053 0.414053 Cd\n0.585947 0.585947 0.585947 Cd\n0.168621 0.331380 0.668621 Cd\n0.331380 0.668621 0.168621 Cd\n0.414053 0.085947 0.914053 Cd\n0.372468 0.979501 0.236816 S\n0.872468 0.520500 0.763184 S\n0.627532 0.479501 0.263184 S\n0.263184 0.627532 0.479501 S\n0.763184 0.872468 0.520500 S\n0.520500 0.763184 0.872468 S\n0.236816 0.372468 0.979501 S\n0.127532 0.020499 0.736817 S\n0.736817 0.127532 0.020499 S\n0.020499 0.736817 0.127532 S\n0.979501 0.236816 0.372468 S\n0.479501 0.263184 0.627532 S\n0.973404 0.428366 0.721216 O\n0.306434 0.250671 0.014659 O\n0.726433 0.913799 0.654235 O\n0.845765 0.273567 0.413799 O\n0.273567 0.413799 0.845765 O\n0.345765 0.226433 0.586201 O\n0.154235 0.773567 0.086201 O\n0.773567 0.086201 0.154235 O\n0.086201 0.154235 0.773567 O\n0.473403 0.071634 0.278785 O\n0.347821 -0.014995 0.096692 O\n0.221215 0.526597 0.571634 O\n0.485341 0.693567 0.750671 O\n0.749329 0.514659 0.193566 O\n0.750671 0.485341 0.693567 O\n0.250671 0.014659 0.306434 O\n0.152179 0.014995 0.596692 O\n0.596692 0.152179 0.014995 O\n0.014995 0.596692 0.152179 O\n0.485005 0.403308 0.652179 O\n0.096692 0.347821 -0.014995 O\n-0.014995 0.096692 0.347821 O\n0.903308 0.847822 0.514995 O\n0.403308 0.652179 0.485005 O\n0.514995 0.903308 0.847822 O\n0.652179 0.485005 0.403308 O\n0.847822 0.514995 0.903308 O\n0.193566 0.749329 0.514659 O\n0.428366 0.721216 0.973404 O\n0.693567 0.750671 0.485341 O\n0.014659 0.306434 0.250671 O\n0.721216 0.973404 0.428366 O\n0.071634 0.278785 0.473403 O\n0.278785 0.473403 0.071634 O\n0.571634 0.221215 0.526597 O\n0.928366 0.778785 0.026597 O\n0.778785 0.026597 0.928366 O\n0.026597 0.928366 0.778785 O\n0.654235 0.726433 0.913799 O\n0.586201 0.345765 0.226433 O\n0.913799 0.654235 0.726433 O\n0.413799 0.845765 0.273567 O\n0.249329 -0.014659 0.806434 O\n0.806434 0.249329 -0.014659 O\n-0.014659 0.806434 0.249329 O\n0.514659 0.193566 0.749329 O\n0.226433 0.586201 0.345765 O\n0.526597 0.571634 0.221215 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-Rb-S",
"density": 4.075059660875563,
"density_atomic": 0.06817372774811452,
"volume": 1114.7989483691088,
"volume_molar": 8.833521297603612,
"formula_full": "Rb8 Cd8 S12 O48",
"formula_reduced": "Rb2Cd2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 1.8332390263157887,
"spacegroup": 198
},
{
"id": "jvasp-109372",
"created_at": "2022-09-04T14:38:19.073969Z",
"updated_at": "2022-09-04T14:38:19.073996Z",
"structure_string": "Rb2 Cd3 Sn1 As4\n1.0\n8.795087 -0.033259 3.895709\n7.654001 4.332542 3.895709\n0.022948 0.005998 7.792913\nRb Cd Sn As\n2 3 1 4\ndirect\n0.492961 0.492961 0.515248 Rb\n0.997924 0.997922 -0.005216 Rb\n0.198937 0.198937 0.479775 Cd\n0.320827 0.320826 0.026723 Cd\n0.817947 0.817946 0.498257 Cd\n0.686684 0.686683 0.971078 Sn\n0.367717 0.367716 0.302134 As\n0.845478 0.845477 0.817567 As\n0.636166 0.636166 0.693682 As\n0.136275 0.136275 0.200750 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"Sn",
"As"
],
"chemical_system": "As-Cd-Rb-Sn",
"density": 5.1541461966253,
"density_atomic": 0.033498992412213505,
"volume": 298.51644123941077,
"volume_molar": 17.97708028318001,
"formula_full": "Rb2 Cd3 Sn1 As4",
"formula_reduced": "Rb2Cd3SnAs4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.2194307950000001,
"spacegroup": 8
},
{
"id": "jvasp-107417",
"created_at": "2022-09-04T14:36:57.608897Z",
"updated_at": "2022-09-04T14:36:57.608907Z",
"structure_string": "Rb2 Ce1 Ag1 Br6\n1.0\n6.959975 -0.000000 4.018343\n2.319992 6.561927 4.018343\n-0.000000 -0.000000 8.036686\nRb Ce Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.753050 0.246950 0.246950 Br\n0.246950 0.246950 0.753050 Br\n0.246949 0.753050 0.753050 Br\n0.246949 0.753050 0.246950 Br\n0.753050 0.246950 0.753050 Br\n0.753049 0.753050 0.246950 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ce",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Ce-Rb",
"density": 4.064204923165686,
"density_atomic": 0.027244818891438732,
"volume": 367.0422636996257,
"volume_molar": 22.103801768681844,
"formula_full": "Rb2 Ce1 Ag1 Br6",
"formula_reduced": "Rb2CeAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}