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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=387",
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"results": [
{
"id": "jvasp-12812",
"created_at": "2022-09-04T14:38:30.354562Z",
"updated_at": "2022-09-04T14:38:30.354591Z",
"structure_string": "Rb12 Tl4 O12\n1.0\n0.000000 7.852954 -0.045493\n7.132241 0.000000 0.000000\n0.000000 -0.747258 -11.539419\nRb Tl O\n12 4 12\ndirect\n0.944034 0.871129 0.344168 Rb\n0.944034 0.628870 0.844168 Rb\n0.360750 0.187183 0.425439 Rb\n0.629598 0.295916 0.689284 Rb\n0.370401 0.795916 0.810716 Rb\n0.370401 0.704084 0.310715 Rb\n0.629598 0.204084 0.189284 Rb\n0.360750 0.312817 0.925439 Rb\n0.639249 0.812817 0.574561 Rb\n0.639249 0.687183 0.074561 Rb\n0.055965 0.371129 0.155832 Rb\n0.055965 0.128870 0.655832 Rb\n0.165605 0.903970 0.070644 Tl\n0.834394 0.096030 0.929356 Tl\n0.165605 0.596030 0.570644 Tl\n0.834394 0.403970 0.429356 Tl\n0.691235 0.930829 0.803141 O\n0.890186 0.966363 0.107051 O\n0.109814 0.466363 0.392948 O\n0.737937 0.371288 0.962146 O\n0.262062 0.871288 0.537854 O\n0.262062 0.628712 0.037854 O\n0.737937 0.128712 0.462146 O\n0.691236 0.569171 0.303141 O\n0.109813 0.033637 0.892948 O\n0.308764 0.069171 0.196859 O\n0.308763 0.430829 0.696859 O\n0.890186 0.533637 0.607051 O\n",
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"formula_full": "Rb12 Tl4 O12",
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{
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"structure_string": "Rb1 Tl1 O2\n1.0\n3.378112 -0.016650 5.801119\n1.553224 2.999903 5.801119\n-0.027522 -0.016650 6.712963\nRb Tl O\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Tl\n0.729181 0.729181 0.729183 O\n0.270818 0.270818 0.270818 O\n",
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"formula_full": "Rb1 Tl1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
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"created_at": "2022-09-04T14:38:19.632397Z",
"updated_at": "2022-09-04T14:38:19.632417Z",
"structure_string": "Rb2 Ti6 O13\n1.0\n3.838074 0.000000 -0.000000\n-1.919038 7.882983 -1.445531\n-0.000000 0.003952 9.188888\nRb Ti O\n2 6 13\ndirect\n0.455069 0.910140 0.250922 Rb\n0.544929 0.089859 0.749078 Rb\n0.114580 0.229161 0.095107 Ti\n0.885418 0.770838 0.904893 Ti\n0.173760 0.347519 0.437422 Ti\n0.826238 0.652480 0.562579 Ti\n0.234094 0.468188 0.778951 Ti\n0.765904 0.531811 0.221049 Ti\n0.641037 0.282078 0.110569 O\n0.358960 0.717922 0.889432 O\n0.861653 0.723308 0.384257 O\n0.138345 0.276691 0.615743 O\n0.703480 0.406964 0.428006 O\n0.761516 0.523035 0.760922 O\n0.918574 0.837151 0.709988 O\n0.081424 0.162848 0.290013 O\n0.169699 0.339398 0.917709 O\n0.238482 0.476964 0.239078 O\n0.000000 0.000000 0.000000 O\n0.296517 0.593035 0.571994 O\n0.830299 0.660601 0.082291 O\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "O-Rb-Ti",
"density": 3.9783850880182134,
"density_atomic": 0.07552976839078716,
"volume": 278.0360703788614,
"volume_molar": 7.973201677041762,
"formula_full": "Rb2 Ti6 O13",
"formula_reduced": "Rb2Ti6O13",
"formula_anonymous": "A2B6C13",
"energy_above_hull": 3.01626169047619,
"spacegroup": 12
},
{
"id": "jvasp-112263",
"created_at": "2022-09-04T14:38:26.170285Z",
"updated_at": "2022-09-04T14:38:26.170312Z",
"structure_string": "Rb8 Ti2 O8\n1.0\n6.545979 0.023647 1.243030\n2.356459 5.934056 2.077656\n0.055750 -0.004123 9.918572\nRb Ti O\n8 2 8\ndirect\n0.240283 0.764571 0.035695 Rb\n0.280937 0.507637 0.438484 Rb\n0.252413 0.407927 0.841169 Rb\n0.211098 0.970814 0.625929 Rb\n0.788902 0.029188 0.374071 Rb\n0.747586 0.592075 0.158831 Rb\n0.719063 0.492365 0.561516 Rb\n0.759717 0.235431 0.964305 Rb\n0.730283 0.842499 0.751909 Ti\n0.269717 0.157503 0.248091 Ti\n0.126767 0.165558 0.103172 O\n0.049034 0.295748 0.370963 O\n0.449287 0.323816 0.187726 O\n0.564961 0.132869 0.654547 O\n0.435039 0.867133 0.345453 O\n0.550713 0.676185 0.812274 O\n0.950966 0.704253 0.629037 O\n0.873233 0.834444 0.896828 O\n",
"nsites": 18,
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"volume": 384.36187162612754,
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"formula_full": "Rb8 Ti2 O8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-95386",
"created_at": "2022-09-04T14:35:42.114665Z",
"updated_at": "2022-09-04T14:35:42.114704Z",
"structure_string": "Rb12 Te4 O18\n1.0\n8.108549 -0.025343 -3.295481\n-1.816034 7.902609 -3.295481\n0.006766 0.008470 11.064184\nRb Te O\n12 4 18\ndirect\n0.704518 0.000686 0.969632 Rb\n0.299692 0.500990 0.024325 Rb\n0.499011 0.700309 0.475676 Rb\n0.905859 0.683529 0.763873 Rb\n0.316472 0.094142 0.736127 Rb\n0.094142 0.316471 0.236127 Rb\n0.683530 0.905858 0.263873 Rb\n-0.000686 0.295483 0.530368 Rb\n0.700309 0.499011 0.975676 Rb\n0.000687 0.704517 0.469632 Rb\n0.295483 -0.000686 0.030368 Rb\n0.500990 0.299692 0.524325 Rb\n0.854102 0.145899 0.750000 Te\n0.374254 0.625747 0.750000 Te\n0.625747 0.374253 0.250000 Te\n0.145899 0.854101 0.250000 Te\n0.776752 0.223248 0.250000 O\n0.371180 0.908502 0.286947 O\n0.261482 0.519092 0.539182 O\n0.519092 0.261482 0.039182 O\n0.738519 0.480909 0.460819 O\n0.331894 0.413344 0.755808 O\n0.586657 0.668107 0.744193 O\n0.668108 0.586657 0.244193 O\n0.413344 0.331893 0.255808 O\n0.114300 0.989492 0.409450 O\n0.010509 0.885701 0.090550 O\n0.885702 0.010509 0.590550 O\n0.989492 0.114299 0.909450 O\n0.908502 0.371180 0.786947 O\n0.628821 0.091499 0.713053 O\n0.091499 0.628821 0.213054 O\n0.480909 0.738519 0.960819 O\n0.223249 0.776752 0.750000 O\n",
"nsites": 34,
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"elements": [
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],
"chemical_system": "O-Rb-Te",
"density": 4.272435539473403,
"density_atomic": 0.04796007327024456,
"volume": 708.9230203719125,
"volume_molar": 12.55657122554119,
"formula_full": "Rb12 Te4 O18",
"formula_reduced": "Rb6Te2O9",
"formula_anonymous": "A2B6C9",
"energy_above_hull": 1.2274727666666667,
"spacegroup": 15
},
{
"id": "jvasp-10226",
"created_at": "2022-09-04T14:37:33.674325Z",
"updated_at": "2022-09-04T14:37:33.674345Z",
"structure_string": "Rb4 Te2 O6\n1.0\n6.477551 0.000000 0.000000\n-3.238775 5.787403 -0.298978\n0.000000 -0.375996 7.470820\nRb Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.320788 0.641577 0.861747 Rb\n-0.000000 -0.000000 0.500000 Rb\n0.679211 0.358422 0.138253 Rb\n0.341828 0.683656 0.348795 Te\n0.658170 0.316342 0.651205 Te\n0.166520 0.780072 0.213624 O\n0.386448 0.219927 0.786376 O\n0.833478 0.219927 0.786376 O\n0.613550 0.780072 0.213624 O\n0.818113 0.636226 0.723503 O\n0.181886 0.363773 0.276497 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.119955107409529,
"density_atomic": 0.04295849280550741,
"volume": 279.3394091903886,
"volume_molar": 14.01851034966465,
"formula_full": "Rb4 Te2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-31188",
"created_at": "2022-09-04T14:38:34.930432Z",
"updated_at": "2022-09-04T14:38:34.930459Z",
"structure_string": "Rb2 Te4 O12\n1.0\n7.416520 -0.000000 0.000000\n3.708260 6.422896 0.000000\n3.708260 2.140965 6.055564\nRb Te O\n2 4 12\ndirect\n0.375000 0.375001 0.375000 Rb\n0.625000 0.625001 0.625000 Rb\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n-0.000000 0.000000 0.500000 Te\n0.070410 0.070411 0.679589 O\n0.070410 0.679590 0.070410 O\n0.070410 0.679591 0.679589 O\n0.929589 0.320411 0.929589 O\n0.679590 0.070410 0.070410 O\n0.929590 0.320411 0.320410 O\n0.320410 0.929591 0.929589 O\n0.679590 0.679590 0.070410 O\n0.679590 0.070411 0.679589 O\n0.929589 0.929591 0.320410 O\n0.320410 0.320411 0.929589 O\n0.320410 0.929591 0.320410 O\n",
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],
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"density": 5.027371978807379,
"density_atomic": 0.06240032397377279,
"volume": 288.46004080949166,
"volume_molar": 9.650816496611684,
"formula_full": "Rb2 Te4 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 227
},
{
"id": "jvasp-38285",
"created_at": "2022-09-04T14:37:54.668311Z",
"updated_at": "2022-09-04T14:37:54.668323Z",
"structure_string": "Rb1 Te1 O3\n1.0\n4.161307 0.000000 0.000000\n-0.000000 4.161307 -0.000000\n0.000000 -0.000000 4.161307\nRb Te O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Rb1 Te1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-38272",
"created_at": "2022-09-04T14:38:29.353680Z",
"updated_at": "2022-09-04T14:38:29.353689Z",
"structure_string": "Rb2 Tc2 O8\n1.0\n2.904569 2.904569 6.600791\n-5.809138 0.000000 -0.000000\n-0.000000 -5.809138 0.000000\nRb Tc O\n2 2 8\ndirect\n0.250001 0.625000 0.375000 Rb\n0.750000 0.375000 0.625000 Rb\n0.750000 0.875000 0.125000 Tc\n0.250001 0.125000 0.875001 Tc\n0.899379 0.732598 0.088796 O\n0.399379 0.088795 0.166780 O\n0.600621 0.689418 0.267402 O\n0.899379 0.166780 0.310582 O\n0.100621 0.833221 0.689418 O\n0.399379 0.310582 0.732598 O\n0.600621 0.911205 0.833221 O\n0.100621 0.267402 0.911206 O\n",
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"formula_full": "Rb2 Tc2 O8",
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"formula_anonymous": "ABC4",
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},
{
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"created_at": "2022-09-04T14:38:42.438881Z",
"updated_at": "2022-09-04T14:38:42.438919Z",
"structure_string": "Rb2 Tb2 W4 O16\n1.0\n6.644856 -0.057339 3.518036\n-1.641615 6.439138 3.518036\n-0.045114 -0.057544 7.573738\nTb Rb W O\n2 2 4 16\ndirect\n0.772171 0.227831 0.750000 Tb\n0.227830 0.772170 0.250000 Tb\n0.199575 0.800426 0.750000 Rb\n0.800426 0.199574 0.250000 Rb\n0.698238 0.693106 0.769799 W\n0.301763 0.306895 0.230201 W\n0.306895 0.301763 0.730201 W\n0.693105 0.698238 0.269799 W\n0.207048 0.046440 0.308810 O\n0.792952 0.953561 0.691190 O\n0.368308 0.585259 0.471060 O\n0.631693 0.414742 0.528941 O\n0.414741 0.631693 0.028941 O\n0.585259 0.368308 0.971060 O\n0.065837 0.384695 0.371347 O\n0.759726 0.618770 0.058791 O\n0.615305 0.934164 0.128654 O\n0.384695 0.065837 0.871347 O\n0.046440 0.207049 0.808810 O\n0.240275 0.381231 0.941210 O\n0.381230 0.240275 0.441210 O\n0.618770 0.759726 0.558791 O\n0.934164 0.615306 0.628654 O\n0.953561 0.792952 0.191191 O\n",
"nsites": 24,
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],
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"volume": 326.05432109842945,
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"formula_full": "Rb2 Tb2 W4 O16",
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"spacegroup": 15
},
{
"id": "jvasp-37521",
"created_at": "2022-09-04T14:38:02.579069Z",
"updated_at": "2022-09-04T14:38:02.579091Z",
"structure_string": "Rb1 Tb1 O3\n1.0\n4.506933 -0.000000 -0.000000\n0.000000 4.506933 -0.000000\n-0.000000 0.000000 4.506933\nTb Rb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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],
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"volume": 91.54682898084647,
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"formula_full": "Rb1 Tb1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-92763",
"created_at": "2022-09-04T14:35:47.528583Z",
"updated_at": "2022-09-04T14:35:47.528602Z",
"structure_string": "Rb1 Ta1 O3\n1.0\n4.061411 -0.000000 0.000000\n-0.000000 4.061411 -0.000000\n-0.000000 -0.000000 4.061411\nRb Ta O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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],
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"formula_full": "Rb1 Ta1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
}
]
}