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{
"id": "jvasp-52251",
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"structure_string": "Sr2 H4 Se4 O12\n1.0\n5.932424 -0.006559 -0.017507\n-2.053424 6.997195 0.111454\n-1.930955 -1.474874 7.295013\nSr H Se O\n2 4 4 12\ndirect\n0.331894 0.717259 0.551411 Sr\n0.668105 0.282742 0.448588 Sr\n0.066473 0.955269 0.303478 H\n0.247465 0.964713 0.056136 H\n0.752534 0.035288 0.943862 H\n0.933526 0.044732 0.696521 H\n0.076875 0.302323 0.138281 Se\n0.351167 0.237905 0.777002 Se\n0.648832 0.762096 0.222997 Se\n0.923124 0.697677 0.861718 Se\n0.971903 0.588885 0.678397 O\n0.548861 0.556782 0.305634 O\n0.776476 0.859080 0.783852 O\n0.430727 0.080710 0.647933 O\n0.569272 0.919291 0.352066 O\n0.237879 0.865593 0.950810 O\n0.451138 0.443218 0.694365 O\n0.028096 0.411116 0.321602 O\n0.016867 0.172973 0.664524 O\n0.983132 0.827028 0.335475 O\n0.223523 0.140920 0.216147 O\n0.762120 0.134409 0.049188 O\n",
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{
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"structure_string": "Sr4 H4 I4 O4\n1.0\n4.245796 -0.000000 0.000000\n-0.000000 7.710893 0.000000\n0.000000 0.000000 10.748293\nSr H I O\n4 4 4 4\ndirect\n0.750001 0.320864 0.419355 Sr\n0.750001 0.820863 0.080645 Sr\n0.250000 0.679136 0.580645 Sr\n0.250000 0.179136 0.919354 Sr\n0.750001 0.221968 0.099325 H\n0.750001 0.721968 0.400675 H\n0.250000 0.778031 0.900675 H\n0.250000 0.278032 0.599325 H\n0.250000 0.473832 0.179513 I\n0.250000 0.973832 0.320487 I\n0.750001 0.526168 0.820486 I\n0.750001 0.026168 0.679513 I\n0.750001 0.134426 0.033507 O\n0.750001 0.634425 0.466493 O\n0.250000 0.865574 0.966493 O\n0.250000 0.365574 0.533507 O\n",
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{
"id": "jvasp-51718",
"created_at": "2022-09-04T14:38:12.805750Z",
"updated_at": "2022-09-04T14:38:12.805783Z",
"structure_string": "Sr2 H8 Cl4 O4\n1.0\n5.712369 3.200961 -1.671677\n-5.712369 3.200961 1.671677\n-0.141990 0.000000 6.632265\nSr H Cl O\n2 8 4 4\ndirect\n0.736960 0.736960 0.750001 Sr\n0.263040 0.263040 0.250000 Sr\n0.742692 0.360405 0.571435 H\n0.257308 0.639595 0.428566 H\n0.639595 0.257308 0.071434 H\n0.360405 0.742692 0.928566 H\n0.576063 0.819269 0.116626 H\n0.180730 0.423937 0.616627 H\n0.423937 0.180730 0.883375 H\n0.819269 0.576063 0.383374 H\n0.054267 0.763199 0.163505 Cl\n0.763199 0.054267 0.336496 Cl\n0.945733 0.236800 0.836496 Cl\n0.236800 0.945733 0.663505 Cl\n0.472669 0.693748 0.021563 O\n0.527330 0.306252 0.978438 O\n0.306252 0.527330 0.521563 O\n0.693748 0.472669 0.478438 O\n",
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"formula_full": "Sr2 H8 Cl4 O4",
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{
"id": "jvasp-51677",
"created_at": "2022-09-04T14:38:11.824637Z",
"updated_at": "2022-09-04T14:38:11.824670Z",
"structure_string": "Sr4 H8 Cl8 O4\n1.0\n4.045157 0.000000 0.000000\n0.000000 8.110961 0.000000\n0.000000 0.000000 12.091593\nSr H Cl O\n4 8 8 4\ndirect\n0.750000 0.288208 0.483348 Sr\n0.750000 0.788208 0.016651 Sr\n0.250000 0.711792 0.516651 Sr\n0.250000 0.211792 -0.016651 Sr\n0.750000 0.100981 0.245094 H\n0.250000 0.399019 0.745094 H\n0.250000 0.899019 0.754906 H\n0.750000 0.600981 0.254906 H\n0.750000 0.058244 0.832062 H\n0.250000 0.441756 0.332063 H\n0.250000 0.941756 0.167937 H\n0.750000 0.558244 0.667937 H\n0.250000 0.257289 0.694170 Cl\n0.250000 0.757288 0.805830 Cl\n0.750000 0.742711 0.305830 Cl\n0.750000 0.242711 0.194170 Cl\n0.250000 0.542898 0.114802 Cl\n0.250000 0.042898 0.385198 Cl\n0.750000 0.457102 0.885197 Cl\n0.750000 -0.042898 0.614802 Cl\n0.750000 0.555918 0.587006 O\n0.250000 0.444082 0.412994 O\n0.250000 0.944082 0.087006 O\n0.750000 0.055918 0.912993 O\n",
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{
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"created_at": "2022-09-04T14:37:13.926930Z",
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"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",
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"formula_full": "Sr1 H12 Cl2 O6",
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},
{
"id": "jvasp-3723",
"created_at": "2022-09-04T14:35:41.597426Z",
"updated_at": "2022-09-04T14:35:41.597458Z",
"structure_string": "Sr2 H2 Cl2 O2\n1.0\n2.074231 -3.592673 0.000000\n2.074231 3.592673 0.000000\n0.000000 0.000000 9.938450\nSr H Cl O\n2 2 2 2\ndirect\n0.333333 0.666667 0.195733 Sr\n0.666667 0.333333 0.695733 Sr\n0.000000 0.000000 0.863008 H\n0.000000 0.000000 0.363008 H\n0.666667 0.333333 0.008285 Cl\n0.333333 0.666667 0.508285 Cl\n0.000000 0.000000 0.264474 O\n0.000000 0.000000 0.764474 O\n",
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},
{
"id": "jvasp-95207",
"created_at": "2022-09-04T14:35:52.927450Z",
"updated_at": "2022-09-04T14:35:52.927466Z",
"structure_string": "Sr2 H12 C8 O14\n1.0\n6.565979 3.185444 -0.944718\n-6.565979 3.185444 0.944718\n0.011571 0.000000 8.426977\nSr H C O\n2 12 8 14\ndirect\n0.986544 0.986544 0.750000 Sr\n0.013455 0.013455 0.250000 Sr\n0.449797 0.538810 0.677895 H\n0.538810 0.449797 0.822105 H\n0.550202 0.461189 0.322105 H\n0.461189 0.550202 0.177895 H\n0.135719 0.412888 0.478920 H\n0.412888 0.135719 0.021080 H\n0.587111 0.864279 0.978920 H\n0.110910 0.492531 0.638212 H\n0.492531 0.110910 0.861789 H\n0.889088 0.507467 0.361789 H\n0.507467 0.889088 0.138212 H\n0.864279 0.587111 0.521081 H\n0.551010 0.013191 0.621455 C\n0.448989 0.986808 0.378545 C\n0.986808 0.448989 0.121455 C\n0.013190 0.551010 0.878545 C\n0.386724 0.033765 0.518469 C\n0.033765 0.386724 0.981532 C\n0.613275 0.966234 0.481532 C\n0.966234 0.613275 0.018468 C\n0.969700 0.378761 0.267915 O\n0.378761 0.969700 0.232085 O\n0.246051 0.072965 0.533740 O\n0.072965 0.246051 0.966260 O\n0.753948 0.927034 0.466260 O\n0.927034 0.753948 0.033740 O\n0.410699 0.410699 0.250000 O\n0.589300 0.589300 0.750000 O\n0.405207 0.156978 0.903380 O\n0.156978 0.405207 0.596620 O\n0.594792 0.843021 0.096620 O\n0.843021 0.594792 0.403380 O\n0.621238 0.030299 0.767915 O\n0.030299 0.621238 0.732085 O\n",
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"density": 2.3897539195171555,
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"volume": 352.5795016127151,
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"formula_full": "Sr2 H12 C8 O14",
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{
"id": "jvasp-99352",
"created_at": "2022-09-04T14:35:57.597467Z",
"updated_at": "2022-09-04T14:35:57.597487Z",
"structure_string": "Sr4 H8 Br8 O4\n1.0\n11.399353 0.000000 0.000000\n0.000000 4.283267 0.000000\n0.000000 0.000000 9.205218\nSr H Br O\n4 8 8 4\ndirect\n0.689418 0.250000 0.386427 Sr\n0.189419 0.250000 0.113573 Sr\n0.310581 0.750001 0.613574 Sr\n0.810581 0.750001 0.886427 Sr\n0.125589 0.250000 0.522174 H\n0.374411 0.750001 0.022174 H\n0.874411 0.750001 0.477826 H\n0.625589 0.250000 0.977826 H\n0.115514 0.250000 0.691241 H\n0.384486 0.750001 0.191241 H\n0.884486 0.750001 0.308759 H\n0.615514 0.250000 0.808759 H\n0.600795 0.750001 0.616370 Br\n0.100795 0.750001 0.883631 Br\n0.399205 0.250000 0.383631 Br\n0.899205 0.250000 0.116370 Br\n0.614387 0.750001 0.152040 Br\n0.114387 0.750001 0.347960 Br\n0.385612 0.250000 0.847960 Br\n0.885612 0.250000 0.652040 Br\n0.173421 0.250000 0.611464 O\n0.826579 0.750001 0.388537 O\n0.326579 0.750001 0.111463 O\n0.673421 0.250000 0.888537 O\n",
"nsites": 24,
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],
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"density": 3.922756910622477,
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"volume": 449.4583237751512,
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"formula_full": "Sr4 H8 Br8 O4",
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"spacegroup": 62
},
{
"id": "jvasp-87138",
"created_at": "2022-09-04T14:36:14.109030Z",
"updated_at": "2022-09-04T14:36:14.109041Z",
"structure_string": "Sr1 Ge1 Te1 O6\n1.0\n5.148039 0.000000 -0.000000\n-2.574020 4.458332 0.000000\n0.000000 -0.000000 5.422226\nSr Ge Te O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Te\n0.382263 0.378418 0.701621 O\n0.621582 0.003844 0.701621 O\n0.996156 0.617737 0.701621 O\n0.382263 0.003844 0.298380 O\n0.996156 0.378418 0.298380 O\n0.621581 0.617737 0.298380 O\n",
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"volume": 124.44912561010453,
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"spacegroup": 149
},
{
"id": "jvasp-35193",
"created_at": "2022-09-04T14:38:29.833360Z",
"updated_at": "2022-09-04T14:38:29.833396Z",
"structure_string": "Sr2 Ge2 P4 O16\n1.0\n-0.000000 -5.127950 0.000000\n-7.363408 2.563976 3.453617\n0.003268 0.000000 -7.916021\nSr Ge P O\n2 2 4 16\ndirect\n0.801290 -0.000000 0.250000 Sr\n0.198710 -0.000000 0.750000 Sr\n-0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 -0.000000 Ge\n0.594527 0.707276 0.736503 P\n0.887252 0.292724 0.763496 P\n0.405472 0.292724 0.263496 P\n0.112748 0.707276 0.236503 P\n0.824065 0.103014 0.608842 O\n0.721051 0.896986 0.891158 O\n0.039924 0.548245 0.292090 O\n0.491679 0.451755 0.207909 O\n0.960076 0.451755 0.707909 O\n0.508320 0.548245 0.792090 O\n0.372433 0.701885 0.131307 O\n0.865409 0.673874 0.095203 O\n0.627566 0.298115 0.868693 O\n0.329450 0.701885 0.631307 O\n0.278949 0.103014 0.108842 O\n0.191536 0.326126 0.404797 O\n0.134590 0.326126 0.904796 O\n0.808463 0.673874 0.595203 O\n0.670549 0.298115 0.368693 O\n0.175934 0.896986 0.391158 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Sr2 Ge2 P4 O16",
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},
{
"id": "jvasp-111407",
"created_at": "2022-09-04T14:38:40.658418Z",
"updated_at": "2022-09-04T14:38:40.658435Z",
"structure_string": "Sr1 Ge1 P2 O8\n1.0\n4.689116 -0.039627 0.285107\n1.905995 4.284456 0.285107\n0.029757 0.019153 7.371749\nSr Ge P O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ge\n0.369469 0.369468 0.791569 P\n0.630532 0.630532 0.208432 P\n0.234823 0.234822 0.953920 O\n0.765177 0.765177 0.046081 O\n0.308911 0.308910 0.601281 O\n0.691089 0.691089 0.398720 O\n0.236507 0.731365 0.810319 O\n0.731367 0.236506 0.810319 O\n0.763494 0.268634 0.189682 O\n0.268634 0.763493 0.189682 O\n",
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"formula_full": "Sr1 Ge1 P2 O8",
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"spacegroup": 12
},
{
"id": "jvasp-12574",
"created_at": "2022-09-04T14:36:53.463098Z",
"updated_at": "2022-09-04T14:36:53.463117Z",
"structure_string": "Sr2 Ge2 H4 O8\n1.0\n5.944047 0.023903 -1.827725\n-3.237827 4.984851 -1.827725\n-0.012915 -0.023903 6.218690\nSr Ge H O\n2 2 4 8\ndirect\n0.500000 0.500000 0.000001 Sr\n0.249999 0.750000 0.500001 Sr\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500001 Ge\n0.697944 0.625000 0.572945 H\n0.374999 0.947944 0.072945 H\n0.874999 0.302055 0.927056 H\n0.052055 0.125000 0.427056 H\n0.015843 0.929227 0.260567 O\n0.070773 0.331339 0.086617 O\n0.244722 0.984157 0.913384 O\n0.668660 0.755277 0.739434 O\n0.081339 0.320773 0.586617 O\n0.734156 0.494723 0.413384 O\n0.679226 0.265843 0.760567 O\n0.505276 0.918660 0.239434 O\n",
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"elements": [
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}
]
}