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{
"id": "jvasp-14871",
"created_at": "2022-09-04T14:36:34.167128Z",
"updated_at": "2022-09-04T14:36:34.167154Z",
"structure_string": "Tm1 Te1\n1.0\n3.716519 0.000000 2.145734\n1.238839 3.503968 2.145734\n-0.000000 -0.000000 4.291466\nTm Te\n1 1\ndirect\n0.500000 0.500000 0.499999 Tm\n0.000000 0.000000 0.000000 Te\n",
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{
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"structure_string": "K12 As4 S16\n1.0\n9.082919 0.000000 0.000000\n0.000000 9.325500 0.000000\n0.000000 0.000000 10.556611\nK As S\n12 4 16\ndirect\n0.942164 0.700026 0.007174 K\n0.360054 0.583561 0.713176 K\n0.860054 0.916439 0.713176 K\n0.139946 0.083561 0.213176 K\n0.942163 0.700030 0.419178 K\n0.057837 0.299970 0.919178 K\n0.557837 0.200030 0.919178 K\n0.442163 0.799970 0.419178 K\n0.442164 0.799974 0.007174 K\n0.057836 0.299974 0.507174 K\n0.557836 0.200026 0.507174 K\n0.639946 0.416439 0.213176 K\n0.780094 0.479360 0.713174 As\n0.219906 0.520640 0.213175 As\n0.719906 0.979360 0.213175 As\n0.280094 0.020640 0.713174 As\n0.186596 0.754007 0.213173 S\n0.686596 0.745993 0.213173 S\n0.340861 0.463072 0.040487 S\n0.659139 0.536928 0.540487 S\n0.159139 0.963072 0.540487 S\n0.840861 0.036928 0.040487 S\n0.003333 0.411064 0.213175 S\n0.996667 0.588936 0.713175 S\n0.503333 0.088936 0.213175 S\n0.340862 0.463071 0.385861 S\n0.659138 0.536929 0.885861 S\n0.159138 0.963071 0.885861 S\n0.840862 0.036929 0.385861 S\n0.813404 0.245993 0.713173 S\n0.496667 0.911064 0.713175 S\n0.313404 0.254007 0.713173 S\n",
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{
"id": "jvasp-56857",
"created_at": "2022-09-04T14:37:58.391132Z",
"updated_at": "2022-09-04T14:37:58.391154Z",
"structure_string": "Rb2 Cu4 Br6\n1.0\n5.275352 0.000000 0.000000\n-0.000000 7.868289 -1.798735\n-0.000000 0.030617 8.071213\nRb Cu Br\n2 4 6\ndirect\n0.750000 0.701556 0.298445 Rb\n0.250000 0.298445 0.701556 Rb\n0.000000 0.822133 0.822133 Cu\n0.500000 0.822133 0.822133 Cu\n0.500000 0.177868 0.177868 Cu\n0.000000 0.177868 0.177868 Cu\n0.750000 0.573344 0.839556 Br\n0.750000 0.109393 0.890607 Br\n0.250000 0.426656 0.160445 Br\n0.750000 0.160445 0.426656 Br\n0.250000 0.890608 0.109393 Br\n0.250000 0.839556 0.573344 Br\n",
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"volume": 335.31038518345787,
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"spacegroup": 63
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{
"id": "jvasp-10250",
"created_at": "2022-09-04T14:38:15.941523Z",
"updated_at": "2022-09-04T14:38:15.941547Z",
"structure_string": "Tl8 Si2 S8\n1.0\n7.264146 0.003583 2.191178\n2.267998 8.141493 0.912047\n-0.017006 0.005720 8.500543\nTl Si S\n8 2 8\ndirect\n0.486510 0.597757 0.372662 Tl\n0.581234 0.992936 0.245249 Tl\n0.081233 0.245249 0.992936 Tl\n0.552717 0.405729 0.981564 Tl\n0.052717 0.981563 0.405730 Tl\n0.576943 0.785731 0.786900 Tl\n0.076942 0.786900 0.785731 Tl\n-0.013491 0.372662 0.597758 Tl\n0.028921 0.619283 0.201251 Si\n0.528921 0.201250 0.619284 Si\n0.204382 0.780463 0.086762 S\n0.352234 0.050389 0.603235 S\n0.844344 0.720682 0.430516 S\n0.203919 0.379148 0.248139 S\n0.703919 0.248139 0.379148 S\n0.704382 0.086761 0.780464 S\n0.852235 0.603235 0.050390 S\n0.344343 0.430515 0.720682 S\n",
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{
"id": "jvasp-80117",
"created_at": "2022-09-04T14:37:16.860434Z",
"updated_at": "2022-09-04T14:37:16.860458Z",
"structure_string": "Rb1 Yb1 S2\n1.0\n-2.070685 -3.586531 0.000000\n2.070685 -3.586531 0.000000\n-0.000000 -2.391021 7.524808\nYb Rb S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Rb\n0.231356 0.231356 0.305931 S\n0.768643 0.768643 0.694069 S\n",
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{
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"created_at": "2022-09-04T14:38:15.684534Z",
"updated_at": "2022-09-04T14:38:15.684546Z",
"structure_string": "Tb4 In2\n1.0\n2.689067 -4.657602 -0.000000\n2.689067 4.657602 -0.000000\n-0.000000 0.000000 6.692374\nTb In\n4 2\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.333334 0.666667 0.750000 Tb\n0.666667 0.333334 0.250000 Tb\n0.666667 0.333334 0.750000 In\n0.333334 0.666667 0.250000 In\n",
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{
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"created_at": "2022-09-04T14:37:04.798343Z",
"updated_at": "2022-09-04T14:37:04.798378Z",
"structure_string": "Ca8 Sb4 S2\n1.0\n7.980778 0.128602 0.000000\n-2.539012 7.567217 0.000000\n-2.720883 -3.847910 6.442029\nCa Sb S\n8 4 2\ndirect\n-0.000351 0.869410 0.511450 Ca\n0.511802 0.000352 0.369762 Ca\n0.130590 0.142040 0.130239 Ca\n0.369410 0.499648 0.011450 Ca\n0.642041 0.630590 0.630239 Ca\n0.500352 0.011801 0.869762 Ca\n0.857961 0.488199 0.988550 Ca\n0.988199 0.357960 0.488550 Ca\n0.123454 0.750000 0.873454 Sb\n0.250000 0.623454 0.373453 Sb\n0.376547 0.250000 0.626547 Sb\n0.750000 0.876547 0.126547 Sb\n0.625000 0.375000 0.250000 S\n0.875001 0.125000 0.750000 S\n",
"nsites": 14,
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"volume": 391.1522767329424,
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"formula_full": "Ca8 Sb4 S2",
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{
"id": "jvasp-92272",
"created_at": "2022-09-04T14:35:49.945766Z",
"updated_at": "2022-09-04T14:35:49.945795Z",
"structure_string": "Mg3 Bi3\n1.0\n3.949127 -0.000000 0.000000\n-1.974564 3.420045 0.000000\n0.000000 0.000000 12.411376\nMg Bi\n3 3\ndirect\n0.333334 0.666666 0.166667 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.666668 0.333333 0.833333 Mg\n0.000000 0.000000 0.000000 Bi\n0.666668 0.333333 0.333333 Bi\n0.333334 0.666666 0.666667 Bi\n",
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{
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"created_at": "2022-09-04T14:37:02.292476Z",
"updated_at": "2022-09-04T14:37:02.292496Z",
"structure_string": "Tb2 Cl2\n1.0\n3.702941 0.026784 8.750755\n1.796914 3.237837 8.750755\n0.045123 0.026784 9.501865\nTb Cl\n2 2\ndirect\n0.216823 0.216823 0.216824 Tb\n0.783176 0.783175 0.783180 Tb\n0.386745 0.386745 0.386747 Cl\n0.613253 0.613253 0.613257 Cl\n",
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{
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"created_at": "2022-09-04T14:35:47.541495Z",
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"structure_string": "Sr12 Ta4 As12 O4\n1.0\n6.417250 0.000000 0.000000\n-0.000000 10.732969 0.000000\n0.000000 0.000000 12.978789\nSr Ta As O\n12 4 12 4\ndirect\n0.730917 0.750000 0.628145 Sr\n0.769083 0.250000 0.128145 Sr\n0.269083 0.250000 0.371855 Sr\n0.230917 0.750000 0.871855 Sr\n0.753149 0.956642 0.371690 Sr\n0.746851 0.043358 0.871690 Sr\n0.246851 0.456642 0.628310 Sr\n0.253149 0.543358 0.128310 Sr\n0.246851 0.043358 0.628310 Sr\n0.253149 0.956642 0.128310 Sr\n0.753149 0.543358 0.371690 Sr\n0.746851 0.456642 0.871690 Sr\n0.841154 0.250000 0.549137 Ta\n0.658846 0.750000 0.049137 Ta\n0.158846 0.750000 0.450863 Ta\n0.341154 0.250000 0.950863 Ta\n0.236942 0.452586 0.876115 As\n0.263058 0.547414 0.376115 As\n0.763058 0.952586 0.123885 As\n0.736942 0.047414 0.623885 As\n0.763058 0.547414 0.123885 As\n0.736942 0.452586 0.623885 As\n0.263058 0.952586 0.376115 As\n0.735719 0.750000 0.863660 As\n0.764281 0.250000 0.363660 As\n0.264281 0.250000 0.136340 As\n0.235719 0.750000 0.636340 As\n0.236942 0.047414 0.876115 As\n0.136783 0.250000 0.555110 O\n0.863217 0.750000 0.444890 O\n0.636783 0.250000 0.944890 O\n0.363217 0.750000 0.055110 O\n",
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{
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"created_at": "2022-09-04T14:38:40.708524Z",
"updated_at": "2022-09-04T14:38:40.708550Z",
"structure_string": "Tl4 Hg4 Cl12\n1.0\n4.354419 -0.000000 0.000000\n0.000000 9.104292 0.000000\n0.000000 0.000000 14.092965\nTl Hg Cl\n4 4 12\ndirect\n0.250000 0.444557 0.331634 Tl\n0.250000 0.944557 0.168366 Tl\n0.750000 0.555443 0.668366 Tl\n0.750000 0.055443 0.831634 Tl\n0.250000 0.172881 0.549807 Hg\n0.250000 0.672881 0.950194 Hg\n0.750000 0.827119 0.450194 Hg\n0.750000 0.327119 0.049806 Hg\n0.250000 0.544646 0.104797 Cl\n0.250000 0.044647 0.395204 Cl\n0.750000 0.345768 0.485283 Cl\n0.750000 0.845768 0.014717 Cl\n0.250000 0.654232 0.514717 Cl\n0.250000 0.776185 0.790380 Cl\n0.750000 0.223815 0.209621 Cl\n0.750000 0.723815 0.290379 Cl\n0.750000 0.955353 0.604797 Cl\n0.250000 0.276185 0.709621 Cl\n0.250000 0.154232 0.985283 Cl\n0.750000 0.455353 0.895204 Cl\n",
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{
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"created_at": "2022-09-04T14:38:37.785600Z",
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"structure_string": "La1 Bi1 Pd1\n1.0\n4.253918 -0.000000 2.456000\n1.417973 4.010632 2.456000\n-0.000000 -0.000000 4.912001\nLa Bi Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
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],
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"formula_full": "La1 Bi1 Pd1",
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]
}