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{
"id": "jvasp-2658",
"created_at": "2022-09-04T14:36:39.763337Z",
"updated_at": "2022-09-04T14:36:39.763373Z",
"structure_string": "Rb2 Sn2 O3\n1.0\n5.293205 -0.043753 3.054198\n1.743225 4.998110 3.054198\n-0.062139 -0.043753 6.110834\nRb Sn O\n2 2 3\ndirect\n0.500000 0.500001 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.238637 0.238637 0.238637 Sn\n0.761363 0.761364 0.761363 Sn\n0.000000 0.500000 -0.000000 O\n-0.000000 0.000000 0.500000 O\n0.499999 0.000000 0.000000 O\n",
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{
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"structure_string": "Rb4 Sn2 O6\n1.0\n5.347400 3.739597 0.000000\n-5.347400 3.739597 0.000000\n0.000000 0.000000 5.827336\nRb Sn O\n4 2 6\ndirect\n0.482856 0.804738 0.247965 Rb\n0.195263 0.517145 0.747966 Rb\n0.517145 0.195263 0.747966 Rb\n0.804738 0.482856 0.247965 Rb\n0.912056 0.912056 0.739546 Sn\n0.087945 0.087945 0.239546 Sn\n0.133505 0.879605 0.492937 O\n0.120396 0.866496 0.992937 O\n0.651018 0.651018 0.718649 O\n0.348983 0.348983 0.218648 O\n0.866496 0.120396 0.992937 O\n0.879605 0.133505 0.492937 O\n",
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"spacegroup": 36
},
{
"id": "jvasp-8659",
"created_at": "2022-09-04T14:37:06.194492Z",
"updated_at": "2022-09-04T14:37:06.194514Z",
"structure_string": "Rb2 Sn1 I6\n1.0\n7.066192 0.000000 4.079668\n2.355397 6.662069 4.079668\n0.000000 0.000000 8.159336\nRb Sn I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sn\n0.748742 0.251258 0.251259 I\n0.748742 0.748742 0.251259 I\n0.251258 0.251258 0.748742 I\n0.748742 0.251258 0.748742 I\n0.251259 0.748742 0.251259 I\n0.251259 0.748742 0.748742 I\n",
"nsites": 9,
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"elements": [
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"chemical_system": "I-Rb-Sn",
"density": 4.543937613259944,
"density_atomic": 0.023431124497634223,
"volume": 384.104484652826,
"volume_molar": 25.70145859029531,
"formula_full": "Rb2 Sn1 I6",
"formula_reduced": "Rb2SnI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-58998",
"created_at": "2022-09-04T14:38:33.575521Z",
"updated_at": "2022-09-04T14:38:33.575556Z",
"structure_string": "Rb4 Sn4 I12\n1.0\n4.734465 -0.000000 0.000000\n0.000000 10.226607 0.000000\n0.000000 0.000000 17.306271\nRb Sn I\n4 4 12\ndirect\n0.250000 0.585614 0.827340 Rb\n0.250000 0.085613 0.672660 Rb\n0.749999 0.414387 0.172660 Rb\n0.749999 0.914387 0.327340 Rb\n0.749999 0.162416 0.940107 Sn\n0.250000 0.337584 0.440107 Sn\n0.250000 0.837584 0.059893 Sn\n0.749999 0.662416 0.559893 Sn\n0.250000 0.195392 0.286155 I\n0.749999 0.304608 0.786155 I\n0.250000 0.341589 0.007054 I\n0.749999 0.658412 0.992946 I\n0.250000 0.841589 0.492946 I\n0.250000 0.470711 0.618286 I\n0.250000 0.970712 0.881714 I\n0.749999 0.529289 0.381714 I\n0.749999 0.804609 0.713845 I\n0.250000 0.695392 0.213845 I\n0.749999 0.158411 0.507054 I\n0.749999 0.029289 0.118286 I\n",
"nsites": 20,
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"volume": 837.9265995708716,
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"formula_full": "Rb4 Sn4 I12",
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"spacegroup": 62
},
{
"id": "jvasp-36889",
"created_at": "2022-09-04T14:37:58.067886Z",
"updated_at": "2022-09-04T14:37:58.067904Z",
"structure_string": "Rb1 Sn1 F3\n1.0\n-4.531772 0.007315 0.150908\n-0.031399 -4.496361 -0.176785\n0.233723 0.792251 5.136389\nRb Sn F\n1 1 3\ndirect\n0.000406 0.035298 0.930678 Rb\n0.498328 0.461272 0.478827 Sn\n-0.000396 0.464121 0.564916 F\n0.505274 0.556981 0.890686 F\n0.496391 0.972327 0.574890 F\n",
"nsites": 5,
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"elements": [
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"volume": 104.18254438266236,
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"formula_full": "Rb1 Sn1 F3",
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"spacegroup": 6
},
{
"id": "jvasp-36976",
"created_at": "2022-09-04T14:38:17.155869Z",
"updated_at": "2022-09-04T14:38:17.155884Z",
"structure_string": "Rb2 Sn2 F6\n1.0\n5.748575 -0.067522 3.062546\n1.808328 5.457163 3.062546\n-0.094674 -0.067523 6.512783\nRb Sn F\n2 2 6\ndirect\n0.876299 0.876300 0.876297 Rb\n0.123700 0.123701 0.123702 Rb\n0.636683 0.636683 0.636682 Sn\n0.363318 0.363319 0.363318 Sn\n0.955716 0.746168 0.473114 F\n0.746169 0.473114 0.955713 F\n0.473114 0.955714 0.746167 F\n0.044286 0.253834 0.526887 F\n0.526887 0.044286 0.253832 F\n0.253833 0.526885 0.044287 F\n",
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"volume": 207.5238169443053,
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"formula_full": "Rb2 Sn2 F6",
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"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-106645",
"created_at": "2022-09-04T14:37:01.105702Z",
"updated_at": "2022-09-04T14:37:01.105712Z",
"structure_string": "Rb2 Sn1 F6\n1.0\n5.310950 -0.000000 3.066278\n1.770317 5.007211 3.066278\n-0.000000 -0.000000 6.132557\nRb Sn F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sn\n0.769409 0.230591 0.230592 F\n0.230592 0.769408 0.769409 F\n0.230592 0.769408 0.230592 F\n0.769409 0.230591 0.769409 F\n0.230591 0.230591 0.769409 F\n0.769409 0.769408 0.230592 F\n",
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"elements": [
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],
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"density_atomic": 0.055186494805827865,
"volume": 163.08337812840347,
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"formula_full": "Rb2 Sn1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-36972",
"created_at": "2022-09-04T14:37:59.777009Z",
"updated_at": "2022-09-04T14:37:59.777040Z",
"structure_string": "Rb2 Sn2 Cl6\n1.0\n6.625748 -0.205987 3.325474\n1.963353 6.331526 3.325474\n-0.288831 -0.205987 7.407827\nRb Sn Cl\n2 2 6\ndirect\n0.261926 0.261926 0.261926 Rb\n0.761926 0.761926 0.761925 Rb\n0.009852 0.009852 0.009852 Sn\n0.509852 0.509852 0.509851 Sn\n0.210439 0.866958 0.679326 Cl\n0.866958 0.679327 0.210438 Cl\n0.679327 0.210438 0.866958 Cl\n0.179327 0.366958 0.710439 Cl\n0.710439 0.179326 0.366958 Cl\n0.366958 0.710439 0.179326 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Rb-Sn",
"density": 3.190606388051787,
"density_atomic": 0.030937204198090356,
"volume": 323.2354137746314,
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"formula_full": "Rb2 Sn2 Cl6",
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},
{
"id": "jvasp-36882",
"created_at": "2022-09-04T14:38:07.832061Z",
"updated_at": "2022-09-04T14:38:07.832077Z",
"structure_string": "Rb1 Sn1 Cl3\n1.0\n5.541023 0.001732 0.024952\n-0.002056 5.541047 0.025634\n-0.030519 -0.034437 5.563445\nRb Sn Cl\n1 1 3\ndirect\n0.005537 0.005929 0.041332 Rb\n0.506060 0.510266 0.483580 Sn\n0.505623 0.513596 0.987157 Cl\n0.506640 0.010414 0.459217 Cl\n0.006139 0.509793 0.458715 Cl\n",
"nsites": 5,
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"formula_full": "Rb1 Sn1 Cl3",
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},
{
"id": "jvasp-3606",
"created_at": "2022-09-04T14:36:15.997137Z",
"updated_at": "2022-09-04T14:36:15.997156Z",
"structure_string": "Rb2 Sn1 Cl6\n1.0\n6.171709 -0.000000 3.563238\n2.057237 5.818743 3.563238\n0.000000 0.000000 7.126476\nRb Sn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sn\n0.245016 0.754984 0.754985 Cl\n0.245016 0.754984 0.245016 Cl\n0.754984 0.245016 0.754985 Cl\n0.754984 0.245016 0.245016 Cl\n0.754985 0.754984 0.245016 Cl\n0.245016 0.245016 0.754985 Cl\n",
"nsites": 9,
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"formula_full": "Rb2 Sn1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-56905",
"created_at": "2022-09-04T14:36:50.103488Z",
"updated_at": "2022-09-04T14:36:50.103510Z",
"structure_string": "Rb2 Sn4 Br10\n1.0\n7.525534 -0.000000 -3.735451\n-1.854166 7.293541 -3.735451\n-0.033106 -0.042576 9.381592\nRb Sn Br\n2 4 10\ndirect\n0.249999 0.250000 0.500000 Rb\n0.749999 0.750000 0.499999 Rb\n0.326400 0.173600 -0.000000 Sn\n0.826400 0.326400 -0.000000 Sn\n0.673599 0.826400 -0.000000 Sn\n0.173599 0.673600 -0.000000 Sn\n0.294227 0.479003 0.273230 Br\n0.794227 0.294227 0.273230 Br\n0.705771 0.520997 0.726769 Br\n0.979002 0.794227 0.273230 Br\n0.479002 0.979003 0.273230 Br\n0.205771 0.705772 0.726769 Br\n0.020997 0.205772 0.726769 Br\n0.000000 0.000000 0.000000 Br\n0.520996 0.020997 0.726769 Br\n0.499999 0.500000 -0.000000 Br\n",
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"volume": 512.5411442032926,
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"formula_full": "Rb2 Sn4 Br10",
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"spacegroup": 140
},
{
"id": "jvasp-115730",
"created_at": "2022-09-04T14:38:50.216598Z",
"updated_at": "2022-09-04T14:38:50.216621Z",
"structure_string": "Rb1 Sn1 Br1\n1.0\n6.228276 -0.731955 0.000000\n-0.724449 5.856431 0.000000\n0.000000 0.000000 3.503983\nRb Sn Br\n1 1 1\ndirect\n0.448356 0.029734 0.000000 Rb\n0.011306 0.419415 0.000000 Sn\n-0.087428 -0.130277 0.000000 Br\n",
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}
]
}