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{
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"results": [
{
"id": "jvasp-32829",
"created_at": "2022-09-04T14:36:37.572015Z",
"updated_at": "2022-09-04T14:36:37.572044Z",
"structure_string": "Pb4 I4 Br4\n1.0\n4.454967 0.000000 0.000000\n-0.000000 8.731626 0.000000\n0.000000 0.000000 10.567566\nPb I Br\n4 4 4\ndirect\n0.750000 0.163592 0.844643 Pb\n0.250000 0.836409 0.155357 Pb\n0.250000 0.336408 0.344643 Pb\n0.750000 0.663592 0.655357 Pb\n0.250000 0.997998 0.670126 I\n0.750000 0.502003 0.170126 I\n0.750000 0.002002 0.329874 I\n0.250000 0.497998 0.829875 I\n0.750000 0.341652 0.553474 Br\n0.250000 0.658348 0.446526 Br\n0.750000 0.841652 0.946526 Br\n0.250000 0.158348 0.053475 Br\n",
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{
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"structure_string": "Pr6 Er2\n1.0\n3.662582 -6.343778 -0.000000\n3.662582 6.343778 0.000000\n-0.000000 0.000000 5.896965\nPr Er\n6 2\ndirect\n0.663724 0.831862 0.750001 Pr\n0.168137 0.336275 0.750001 Pr\n0.168137 0.831862 0.750001 Pr\n0.336275 0.168137 0.250000 Pr\n0.831862 0.663724 0.250000 Pr\n0.831862 0.168137 0.250000 Pr\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750001 Er\n",
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{
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"updated_at": "2022-09-04T14:35:50.048662Z",
"structure_string": "Sr8 In8\n1.0\n6.459163 0.030318 -1.285867\n-1.529586 6.275508 -1.285754\n-0.041687 -0.053093 13.525527\nSr In\n8 8\ndirect\n0.715272 0.423001 0.641515 Sr\n0.205801 0.917362 0.152772 Sr\n0.781651 0.074904 0.359739 Sr\n0.303646 0.515008 0.348511 Sr\n0.324700 0.532432 0.859684 Sr\n0.764839 0.054372 0.848538 Sr\n0.166685 0.956028 0.652816 Sr\n0.672803 0.466045 0.141548 Sr\n0.863134 0.622764 0.423520 In\n0.290715 0.043478 0.927328 In\n0.116275 0.364534 0.073981 In\n0.199319 0.440509 0.577742 In\n0.690352 0.950125 0.077775 In\n0.872558 0.613847 0.923475 In\n0.613745 0.866455 0.574011 In\n0.292605 0.040773 0.427300 In\n",
"nsites": 16,
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"elements": [
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"volume": 547.9979757851808,
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"formula_full": "Sr8 In8",
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{
"id": "jvasp-66645",
"created_at": "2022-09-04T14:35:47.895694Z",
"updated_at": "2022-09-04T14:35:47.895740Z",
"structure_string": "Ba4 P1 Ir1\n1.0\n0.000000 4.683652 4.683652\n4.683652 -0.000000 4.683652\n4.683652 4.683652 0.000000\nBa P Ir\n4 1 1\ndirect\n0.125345 0.624885 0.624885 Ba\n0.624885 0.624885 0.624885 Ba\n0.624885 0.125345 0.624885 Ba\n0.624885 0.624885 0.125345 Ba\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
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"elements": [
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"Ir"
],
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"density_atomic": 0.029198960961937335,
"volume": 205.48676399209458,
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"formula_full": "Ba4 P1 Ir1",
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"spacegroup": 216
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{
"id": "jvasp-55970",
"created_at": "2022-09-04T14:37:32.245711Z",
"updated_at": "2022-09-04T14:37:32.245724Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.151187 0.036283\n6.792156 0.000000 0.000000\n0.000000 -2.042903 -9.941585\nTi Br\n4 16\ndirect\n0.630655 0.421047 0.750186 Ti\n0.869346 0.921047 0.249815 Ti\n0.369345 0.578954 0.249814 Ti\n0.130655 0.078953 0.750186 Ti\n0.051274 0.082546 0.190445 Br\n0.448727 0.582546 0.809556 Br\n0.196193 0.914325 0.572329 Br\n0.303808 0.414325 0.427672 Br\n0.803808 0.085675 0.427672 Br\n0.696193 0.585676 0.572329 Br\n0.072416 0.403150 0.687857 Br\n0.927584 0.596851 0.312144 Br\n0.551274 0.417454 0.190445 Br\n0.572416 0.096851 0.687857 Br\n0.310481 0.077662 0.934567 Br\n0.189520 0.577662 0.065433 Br\n0.689520 0.922339 0.065434 Br\n0.810481 0.422338 0.934567 Br\n0.427584 0.903150 0.312144 Br\n0.948727 0.917454 0.809556 Br\n",
"nsites": 20,
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"elements": [
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"density": 3.5635702801546802,
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"volume": 684.9533808379169,
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"formula_full": "Ti4 Br16",
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"spacegroup": 14
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{
"id": "jvasp-65068",
"created_at": "2022-09-04T14:38:08.532377Z",
"updated_at": "2022-09-04T14:38:08.532404Z",
"structure_string": "Ca4 Mg1 Be1\n1.0\n0.000000 4.683459 4.683459\n4.683459 -0.000000 4.683459\n4.683459 4.683459 -0.000000\nCa Mg Be\n4 1 1\ndirect\n0.124289 0.625238 0.625238 Ca\n0.625238 0.625238 0.625238 Ca\n0.625238 0.124289 0.625238 Ca\n0.625238 0.625238 0.124289 Ca\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n",
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"Mg",
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"density_atomic": 0.029202570878260226,
"volume": 205.46136246061417,
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"formula_full": "Ca4 Mg1 Be1",
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"spacegroup": 216
},
{
"id": "jvasp-5368",
"created_at": "2022-09-04T14:36:31.502478Z",
"updated_at": "2022-09-04T14:36:31.502508Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.150710 0.036075\n6.791957 0.000000 0.000000\n0.000000 -2.042607 -9.940887\nTi Br\n4 16\ndirect\n0.630631 0.421038 0.750197 Ti\n0.869369 0.921038 0.249804 Ti\n0.369368 0.578963 0.249804 Ti\n0.130631 0.078962 0.750197 Ti\n0.051312 0.082532 0.190440 Br\n0.448688 0.582532 0.809561 Br\n0.196156 0.914345 0.572305 Br\n0.303844 0.414345 0.427695 Br\n0.803844 0.085655 0.427696 Br\n0.696156 0.585655 0.572306 Br\n0.072381 0.403169 0.687878 Br\n0.927619 0.596831 0.312123 Br\n0.551312 0.417468 0.190440 Br\n0.572381 0.096831 0.687878 Br\n0.310474 0.077656 0.934580 Br\n0.189526 0.577657 0.065421 Br\n0.689526 0.922344 0.065421 Br\n0.810474 0.422344 0.934580 Br\n0.427619 0.903169 0.312123 Br\n0.948688 0.917468 0.809561 Br\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Br-Ti",
"density": 3.5640772994329373,
"density_atomic": 0.02920322189614635,
"volume": 684.8559405919248,
"volume_molar": 20.621494372833844,
"formula_full": "Ti4 Br16",
"formula_reduced": "TiBr4",
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"spacegroup": 14
},
{
"id": "jvasp-98729",
"created_at": "2022-09-04T14:38:16.858071Z",
"updated_at": "2022-09-04T14:38:16.858103Z",
"structure_string": "Tl4 Sn2 Te10\n1.0\n7.603698 -0.000000 -3.653368\n-1.755876 7.397621 -3.654478\n0.000359 -0.001010 9.740160\nTl Sn Te\n4 2 10\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.249952 0.250000 0.500000 Tl\n0.750048 0.750000 0.500000 Tl\n0.249985 0.750000 0.500000 Sn\n0.750014 0.250000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Te\n-0.000000 0.500000 -0.000000 Te\n0.321895 0.821884 0.268970 Te\n0.447075 0.321884 0.268970 Te\n0.821785 0.946994 0.268791 Te\n0.552925 0.678116 0.731029 Te\n0.178215 0.053006 0.731209 Te\n0.052994 0.553006 0.731209 Te\n0.678105 0.178116 0.731029 Te\n0.947006 0.446994 0.268791 Te\n",
"nsites": 16,
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],
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"density": 7.065116310927594,
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"volume": 547.8521061329984,
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"formula_full": "Tl4 Sn2 Te10",
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{
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"created_at": "2022-09-04T14:37:40.153129Z",
"updated_at": "2022-09-04T14:37:40.153151Z",
"structure_string": "Te2\n1.0\n2.986690 0.000000 0.832147\n1.203201 4.618454 1.457439\n0.221203 -0.181686 4.981968\nTe\n2\ndirect\n0.500237 0.250000 0.250001 Te\n0.499763 0.749999 0.750001 Te\n",
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{
"id": "jvasp-10550",
"created_at": "2022-09-04T14:37:08.319185Z",
"updated_at": "2022-09-04T14:37:08.319211Z",
"structure_string": "Rb6 B2 As4\n1.0\n6.536916 0.010376 1.759937\n-0.218245 6.533280 1.759937\n0.005040 0.005219 9.622857\nRb B As\n6 2 4\ndirect\n0.848640 0.151361 0.750000 Rb\n0.151361 0.848640 0.250000 Rb\n0.243827 0.349306 0.982671 Rb\n0.650696 0.756173 0.517330 Rb\n0.756174 0.650695 0.017329 Rb\n0.349306 0.243827 0.482671 Rb\n0.784861 0.215140 0.250000 B\n0.215140 0.784861 0.750000 B\n0.908136 0.347106 0.357289 As\n0.652895 0.091865 0.142711 As\n0.347106 0.908136 0.857290 As\n0.091865 0.652895 0.642711 As\n",
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{
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"created_at": "2022-09-04T14:36:05.571628Z",
"updated_at": "2022-09-04T14:36:05.571643Z",
"structure_string": "K2 Be1 Pb1\n1.0\n6.297363 0.000000 0.000000\n-0.000000 6.297363 0.000000\n-0.000000 -0.000000 3.453039\nK Be Pb\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:06.182666Z",
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"structure_string": "Cr1 Cd3 Te4\n1.0\n6.494055 -0.000000 -0.000000\n0.000000 6.494055 0.000000\n0.000000 -0.000000 6.494055\nCr Cd Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.759663 0.759663 0.240338 Te\n0.759663 0.240338 0.759663 Te\n0.240338 0.759663 0.759663 Te\n0.240338 0.240338 0.240338 Te\n",
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}