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{
"id": "jvasp-37574",
"created_at": "2022-09-04T14:38:01.496994Z",
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"structure_string": "Tm6 Mg2\n1.0\n3.426303 -5.934531 -0.000000\n3.426303 5.934531 0.000000\n0.000000 -0.000000 5.436264\nTm Mg\n6 2\ndirect\n0.168719 0.337438 0.250000 Tm\n0.168719 0.831280 0.250000 Tm\n0.662561 0.831280 0.250000 Tm\n0.337438 0.168719 0.749999 Tm\n0.831280 0.168719 0.749999 Tm\n0.831280 0.662561 0.749999 Tm\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.749999 Mg\n",
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{
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"structure_string": "Li4 V4 F12\n1.0\n6.046625 -0.000000 -0.000000\n-0.000000 6.046625 0.000000\n-0.000000 -0.000000 6.046625\nLi V F\n4 4 12\ndirect\n0.084328 0.084328 0.084328 Li\n0.415671 0.915671 0.584328 Li\n0.584328 0.415671 0.915671 Li\n0.915671 0.584328 0.415671 Li\n0.152144 0.652144 0.847855 V\n0.347855 0.347855 0.347855 V\n0.652144 0.847855 0.152144 V\n0.847855 0.152144 0.652144 V\n0.745067 0.869527 0.486567 F\n0.754932 0.130472 0.986566 F\n0.630472 0.513432 0.245067 F\n0.513432 0.245067 0.630472 F\n0.486567 0.745067 0.869527 F\n0.130472 0.986566 0.754932 F\n0.245067 0.630472 0.513432 F\n0.254932 0.369527 0.013433 F\n0.869527 0.486567 0.745067 F\n0.013433 0.254932 0.369527 F\n0.369527 0.013433 0.254932 F\n0.986566 0.754932 0.130472 F\n",
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{
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"created_at": "2022-09-04T14:35:51.317652Z",
"updated_at": "2022-09-04T14:35:51.317684Z",
"structure_string": "Rb2 Pd3 S4\n1.0\n6.056576 -0.013619 -1.330118\n-3.369496 5.032626 -1.330058\n-0.028639 -0.053421 7.292227\nRb Pd S\n2 3 4\ndirect\n0.842515 0.842515 0.685030 Rb\n0.157486 0.157486 0.314970 Rb\n0.500000 -0.000000 -0.000000 Pd\n0.500000 0.500000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.214481 0.550076 0.764552 S\n0.449929 0.785524 0.235448 S\n0.550071 0.214477 0.764552 S\n0.785519 0.449924 0.235448 S\n",
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"volume": 221.07396888598467,
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"formula_full": "Rb2 Pd3 S4",
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"formula_anonymous": "A2B3C4",
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{
"id": "jvasp-29391",
"created_at": "2022-09-04T14:38:01.996676Z",
"updated_at": "2022-09-04T14:38:01.996696Z",
"structure_string": "Cu2 Bi2 S2 Cl4\n1.0\n4.059917 0.000000 0.000000\n-2.029959 6.398718 0.000000\n0.000000 0.000000 8.509328\nCu Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.707403 0.414806 0.250000 Bi\n0.292597 0.585194 0.750000 Bi\n0.935219 0.870438 0.750000 S\n0.064781 0.129562 0.250000 S\n0.351317 0.702634 0.064358 Cl\n0.351317 0.702634 0.435642 Cl\n0.648683 0.297367 0.935642 Cl\n0.648683 0.297367 0.564358 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 221.05756913091622,
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"formula_full": "Cu2 Bi2 S2 Cl4",
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{
"id": "jvasp-34790",
"created_at": "2022-09-04T14:37:13.926930Z",
"updated_at": "2022-09-04T14:37:13.926954Z",
"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.967803 -6.872437 -0.000000\n3.967803 6.872437 0.000000\n0.000000 -0.000000 4.053107\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.551116 0.900850 0.898177 H\n0.099149 0.650266 0.898177 H\n0.448883 0.349733 0.101824 H\n0.650266 0.099149 0.101824 H\n0.900850 0.551116 0.101824 H\n0.349733 0.448883 0.898177 H\n0.114219 0.357340 0.482199 H\n0.243120 0.885780 0.482199 H\n0.756879 0.642659 0.517802 H\n0.357340 0.114219 0.517802 H\n0.885780 0.243120 0.517802 H\n0.642659 0.756879 0.482199 H\n0.666667 0.333332 0.421264 Cl\n0.333332 0.666667 0.578737 Cl\n-0.000000 0.674062 0.000000 O\n0.224595 -0.000000 0.500000 O\n-0.000000 0.224595 0.500000 O\n0.775405 0.775405 0.500000 O\n0.674062 -0.000000 0.000000 O\n0.325937 0.325937 0.000000 O\n",
"nsites": 21,
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{
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"created_at": "2022-09-04T14:36:51.518363Z",
"updated_at": "2022-09-04T14:36:51.518390Z",
"structure_string": "Ca4 Fe2 Ir2 O12\n1.0\n0.000000 5.304436 0.000064\n5.498936 0.000000 0.000000\n0.000000 -5.299505 -7.577540\nCa Fe Ir O\n4 2 2 12\ndirect\n0.265262 0.060105 0.249626 Ca\n0.734740 0.560105 0.250375 Ca\n0.265262 0.439896 0.749626 Ca\n0.734740 0.939896 0.750375 Ca\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Ir\n0.500001 0.000000 0.000000 Ir\n0.760447 0.208069 0.950982 O\n0.654943 0.694763 0.952775 O\n0.239556 0.708069 0.549018 O\n0.851789 0.975822 0.256917 O\n0.148214 0.024179 0.743084 O\n0.239555 0.791932 0.049018 O\n0.345060 0.305238 0.047226 O\n0.654942 0.805238 0.452775 O\n0.345060 0.194763 0.547226 O\n0.851789 0.524179 0.756917 O\n0.760446 0.291931 0.450982 O\n0.148213 0.475822 0.243084 O\n",
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"spacegroup": 14
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{
"id": "jvasp-18650",
"created_at": "2022-09-04T14:37:01.715276Z",
"updated_at": "2022-09-04T14:37:01.715295Z",
"structure_string": "Na4 Cd2 Sn2\n1.0\n2.524364 -4.372327 0.000000\n2.524364 4.372327 -0.000000\n0.000000 -0.000000 10.012501\nNa Cd Sn\n4 2 2\ndirect\n0.666666 0.333332 0.418970 Na\n0.333332 0.666666 0.918970 Na\n0.666666 0.333332 0.081030 Na\n0.333332 0.666666 0.581030 Na\n0.000000 0.000000 0.250000 Cd\n0.000000 0.000000 0.750000 Cd\n0.333332 0.666666 0.250000 Sn\n0.666666 0.333332 0.750000 Sn\n",
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{
"id": "jvasp-66104",
"created_at": "2022-09-04T14:35:55.913606Z",
"updated_at": "2022-09-04T14:35:55.913625Z",
"structure_string": "Ba4 Tc1 Hg1\n1.0\n-0.000000 4.798806 4.798806\n4.798806 -0.000000 4.798806\n4.798806 4.798806 0.000000\nBa Tc Hg\n4 1 1\ndirect\n0.123154 0.625616 0.625616 Ba\n0.625616 0.625616 0.625616 Ba\n0.625616 0.123154 0.625616 Ba\n0.625616 0.625616 0.123154 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Hg\n",
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{
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"structure_string": "Tl1 In2 Ga1 Se4\n1.0\n6.427583 -0.037422 -1.694442\n-2.571182 5.170259 -3.292993\n-0.022323 0.037422 6.647139\nTl In Ga Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 -0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Ga\n0.501322 0.101429 0.938686 Se\n0.498678 0.437364 0.600108 Se\n0.162743 0.562636 0.061315 Se\n0.837257 0.898571 0.399894 Se\n",
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{
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"created_at": "2022-09-04T14:35:57.713722Z",
"updated_at": "2022-09-04T14:35:57.713754Z",
"structure_string": "Er6 Pb2\n1.0\n6.748347 0.000000 0.000000\n-3.374174 5.844240 0.000000\n-0.000000 -0.000000 5.603765\nEr Pb\n6 2\ndirect\n0.831922 0.168079 0.750001 Er\n0.336159 0.168079 0.750001 Er\n0.831922 0.663841 0.750001 Er\n0.168079 0.831921 0.250000 Er\n0.663842 0.831921 0.250000 Er\n0.168079 0.336159 0.250000 Er\n0.666667 0.333333 0.250000 Pb\n0.333334 0.666667 0.750001 Pb\n",
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{
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"created_at": "2022-09-04T14:37:13.661250Z",
"updated_at": "2022-09-04T14:37:13.661276Z",
"structure_string": "Tl2 Cu6 S4\n1.0\n3.864627 -0.000000 0.000000\n-1.932314 6.780471 -2.738471\n0.000000 0.012556 8.428578\nTl Cu S\n2 6 4\ndirect\n0.861005 0.722006 0.952860 Tl\n0.138997 0.277995 0.047140 Tl\n0.409233 0.818464 0.358544 Cu\n0.311752 0.623501 0.588057 Cu\n0.061846 0.123692 0.406077 Cu\n0.938156 0.876308 0.593924 Cu\n0.688250 0.376499 0.411944 Cu\n0.590769 0.181536 0.641456 Cu\n0.476428 0.952854 0.767960 S\n0.523574 0.047146 0.232040 S\n0.812854 0.625705 0.320508 S\n0.187148 0.374295 0.679492 S\n",
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{
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"structure_string": "Ba4 Zn1 Tc1\n1.0\n-0.000000 4.798614 4.798614\n4.798614 -0.000000 4.798614\n4.798614 4.798614 -0.000000\nBa Zn Tc\n4 1 1\ndirect\n0.127024 0.624324 0.624324 Ba\n0.624324 0.624324 0.624324 Ba\n0.624324 0.127024 0.624324 Ba\n0.624324 0.624324 0.127024 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Tc\n",
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