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"structure_string": "Ca6 La6 B10 O30\n1.0\n10.549237 0.000000 -0.000000\n-5.274619 9.135907 0.000000\n-0.000000 0.000000 6.395150\nCa La B O\n6 6 10 30\ndirect\n0.526812 0.473188 0.261793 Ca\n0.053624 0.526812 0.761793 Ca\n0.473188 0.946377 0.761793 Ca\n0.526812 0.053624 0.261793 Ca\n0.946377 0.473188 0.261793 Ca\n0.473188 0.526812 0.761793 Ca\n0.843715 0.156285 0.580823 La\n0.156285 0.312571 0.080823 La\n0.843715 0.687430 0.580823 La\n0.312571 0.156285 0.580823 La\n0.156285 0.843715 0.080823 La\n0.687430 0.843715 0.080823 La\n0.000000 0.000000 0.748216 B\n0.199063 0.800937 0.547159 B\n0.333333 0.666667 0.098751 B\n0.666667 0.333333 0.598751 B\n0.000000 0.000000 0.248216 B\n0.800937 0.199063 0.047159 B\n0.601874 0.800937 0.547159 B\n0.199063 0.398126 0.547159 B\n0.800937 0.601874 0.047159 B\n0.398126 0.199063 0.047159 B\n0.075637 0.924363 0.741159 O\n0.151274 0.075637 0.241159 O\n0.924363 0.848727 0.241159 O\n0.075637 0.151274 0.741159 O\n0.590153 0.180306 0.597965 O\n0.924363 0.075637 0.241159 O\n0.180306 0.590153 0.097965 O\n0.373448 0.301548 0.945518 O\n0.848727 0.924363 0.741159 O\n0.409847 0.819694 0.097965 O\n0.698452 0.071900 0.945518 O\n0.071900 0.373448 0.445518 O\n0.819694 0.409847 0.597965 O\n0.409847 0.590153 0.097965 O\n0.227026 0.772974 0.745442 O\n0.454053 0.227026 0.245442 O\n0.772974 0.545948 0.245442 O\n0.772974 0.227026 0.245442 O\n0.227026 0.454053 0.745442 O\n0.928100 0.626552 0.945518 O\n0.545948 0.772974 0.745442 O\n0.698452 0.626552 0.945518 O\n0.928100 0.301548 0.945518 O\n0.590153 0.409847 0.597965 O\n0.301548 0.373448 0.445518 O\n0.373448 0.071900 0.945518 O\n0.301548 0.928100 0.445518 O\n0.626552 0.698452 0.445518 O\n0.626552 0.928100 0.445518 O\n0.071900 0.698452 0.445518 O\n",
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.950955 0.000000 0.000000\n0.000000 8.199109 0.000000\n0.000000 0.000000 11.364242\nLi Al Si H O\n4 4 4 8 20\ndirect\n-0.083921 0.019121 0.593901 Li\n-0.083921 0.480880 0.093901 Li\n0.416079 -0.019121 0.406099 Li\n0.416079 0.519121 0.906099 Li\n0.450138 0.658605 0.288726 Al\n-0.049862 0.158604 0.211274 Al\n0.450138 0.841396 0.788726 Al\n-0.049862 0.341396 0.711274 Al\n0.858754 0.693681 0.721751 Si\n0.358755 0.306319 0.278249 Si\n0.358755 0.193681 0.778249 Si\n0.858754 0.806319 0.221751 Si\n-0.018340 0.692981 0.953564 H\n0.481659 0.307019 0.046436 H\n0.702678 0.226993 0.445954 H\n0.202678 0.726993 0.054046 H\n-0.018340 0.807019 0.453564 H\n0.481659 0.192981 0.546435 H\n0.202678 0.773007 0.554046 H\n0.702678 0.273007 -0.054046 H\n0.141510 0.852729 0.495159 O\n0.182771 0.188518 0.650522 O\n0.674789 0.266204 0.262845 O\n0.682770 0.811482 0.349478 O\n0.641509 0.147271 0.504841 O\n-0.157289 -0.023274 0.149217 O\n0.174789 0.766204 0.237155 O\n0.342710 0.023274 0.850783 O\n0.188809 0.350915 0.833254 O\n0.188809 0.149085 0.333254 O\n0.174789 0.733796 0.737155 O\n0.674789 0.233796 0.762845 O\n0.141510 0.647271 0.995159 O\n0.688808 0.850915 0.666745 O\n0.682770 0.688518 0.849478 O\n0.182771 0.311482 0.150522 O\n0.688808 0.649085 0.166745 O\n0.641509 0.352729 0.004841 O\n0.342710 0.476726 0.350783 O\n-0.157289 0.523275 0.649217 O\n",
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"formula_full": "Li4 Al4 Si4 H8 O20",
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{
"id": "jvasp-98613",
"created_at": "2022-09-04T14:36:12.326818Z",
"updated_at": "2022-09-04T14:36:12.326838Z",
"structure_string": "Rb6 V4 Br18\n1.0\n7.357935 -0.000000 -0.000000\n-3.678968 6.372159 0.000000\n0.000000 0.000000 18.323450\nRb V Br\n6 4 18\ndirect\n0.666667 0.333333 0.572531 Rb\n0.333333 0.666667 0.072531 Rb\n0.333333 0.666667 0.427469 Rb\n0.666667 0.333333 0.927469 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.161329 V\n0.333333 0.666667 0.838671 V\n0.333333 0.666667 0.661329 V\n0.666667 0.333333 0.338671 V\n0.169837 0.339675 0.587908 Br\n0.990814 0.495407 0.250000 Br\n0.339675 0.169837 0.087908 Br\n0.169837 0.830163 0.912092 Br\n0.495407 0.504594 0.750000 Br\n0.504594 0.495407 0.250000 Br\n0.495407 0.990813 0.750000 Br\n0.830163 0.660325 0.087908 Br\n0.830163 0.169837 0.412092 Br\n0.009187 0.504594 0.750000 Br\n0.169837 0.339675 0.912092 Br\n0.339675 0.169837 0.412092 Br\n0.504594 0.009187 0.250000 Br\n0.660325 0.830163 0.587908 Br\n0.169837 0.830163 0.587908 Br\n0.830163 0.660325 0.412092 Br\n0.660325 0.830163 0.912092 Br\n0.830163 0.169837 0.087908 Br\n",
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{
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"updated_at": "2022-09-04T14:36:10.013731Z",
"structure_string": "Ga8 Fe8 O24\n1.0\n5.052611 0.000000 0.000000\n0.000000 8.735889 0.000000\n0.000000 0.000000 9.347316\nGa Fe O\n8 8 24\ndirect\n0.829706 0.849584 0.503213 Ga\n0.173372 0.846117 0.806847 Ga\n0.329706 0.650416 0.503213 Ga\n0.326628 0.346117 0.306847 Ga\n0.826628 0.153883 0.306847 Ga\n0.670294 0.349584 0.003213 Ga\n0.170294 0.150416 0.003213 Ga\n0.673372 0.653883 0.806847 Ga\n0.315730 0.664186 0.072481 Fe\n0.667656 0.043837 0.789236 Fe\n0.832344 0.543837 0.289236 Fe\n0.167656 0.456163 0.789236 Fe\n0.684270 0.335814 0.572481 Fe\n0.184270 0.164186 0.572481 Fe\n0.332344 0.956163 0.289236 Fe\n0.815730 0.835814 0.072481 Fe\n0.639394 0.676636 0.168827 O\n0.988147 0.670050 0.440759 O\n0.028665 0.013885 0.438088 O\n0.008372 0.311043 0.439342 O\n0.669880 -0.011194 0.197307 O\n0.829290 0.837062 0.703663 O\n0.508372 0.188957 0.439342 O\n0.488147 0.829950 0.440759 O\n0.860606 0.176636 0.668827 O\n0.971334 0.986115 0.938088 O\n0.329290 0.662938 0.703663 O\n0.471335 0.513885 0.938088 O\n0.169880 0.511194 0.197307 O\n0.330120 0.011194 0.697307 O\n0.830120 0.488806 0.697307 O\n0.139394 0.823364 0.168827 O\n0.670710 0.337062 0.203663 O\n0.528665 0.486115 0.438088 O\n0.011853 0.329950 0.940759 O\n0.491628 0.811043 0.939342 O\n0.170710 0.162938 0.203663 O\n0.511853 0.170050 0.940759 O\n0.360606 0.323364 0.668827 O\n-0.008372 0.688957 0.939342 O\n",
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{
"id": "jvasp-98610",
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"updated_at": "2022-09-04T14:36:05.500644Z",
"structure_string": "Sr4 B16 Ru14\n1.0\n6.473952 0.000000 0.000001\n0.000000 6.473951 0.000000\n0.000001 0.000000 10.199289\nSr B Ru\n4 16 14\ndirect\n0.231142 0.391685 1.000000 Sr\n0.608315 0.231143 0.500000 Sr\n0.391684 0.768857 0.500000 Sr\n0.768856 0.608315 -0.000000 Sr\n0.500000 -0.000000 0.088733 B\n0.224413 0.398382 0.331063 B\n0.224414 0.398381 0.668937 B\n0.000000 0.000000 0.159037 B\n0.000000 -0.000000 0.659038 B\n0.398382 0.775586 0.831063 B\n0.775586 0.601619 0.331063 B\n0.500000 -0.000001 0.911267 B\n0.775586 0.601618 0.668937 B\n0.000000 -0.000000 0.840963 B\n0.999999 0.000000 0.340962 B\n0.601619 0.224413 0.831063 B\n0.398381 0.775587 0.168937 B\n-0.000001 0.500000 0.411267 B\n0.000000 0.500000 0.588733 B\n0.601618 0.224414 0.168937 B\n0.499999 0.500000 0.250000 Ru\n0.893500 0.294025 0.744336 Ru\n0.294026 0.106500 0.755664 Ru\n0.294025 0.106501 0.244336 Ru\n0.212202 0.906730 -0.000000 Ru\n0.787798 0.093269 -0.000000 Ru\n0.893499 0.294026 0.255664 Ru\n0.093269 0.212202 0.500000 Ru\n0.705974 0.893500 0.244336 Ru\n0.906730 0.787798 0.500000 Ru\n0.705975 0.893499 0.755664 Ru\n0.106500 0.705975 0.255664 Ru\n0.106501 0.705974 0.744336 Ru\n0.500000 0.499999 0.750000 Ru\n",
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{
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"created_at": "2022-09-04T14:36:01.996419Z",
"updated_at": "2022-09-04T14:36:01.996436Z",
"structure_string": "Sn4 S4 O16\n1.0\n5.447405 0.000000 -0.008627\n0.000000 7.039984 0.000000\n0.007810 0.000000 8.547227\nSn S O\n4 4 16\ndirect\n0.249761 0.197251 0.215754 Sn\n0.750238 0.802749 0.784246 Sn\n0.249761 0.302749 0.715754 Sn\n0.750238 0.697250 0.284246 Sn\n0.749933 0.175583 0.429608 S\n0.749933 0.324416 0.929608 S\n0.250066 0.824416 0.570392 S\n0.250066 0.675583 0.070392 S\n0.025557 0.702041 0.589673 O\n0.750407 0.089224 0.586041 O\n0.750407 0.410776 0.086040 O\n0.249592 0.589224 0.913960 O\n0.250330 0.532602 0.200410 O\n-0.025557 0.297958 0.410328 O\n0.749669 0.467397 0.799590 O\n0.025557 0.797958 0.089673 O\n0.749669 0.032603 0.299590 O\n0.474787 0.702209 0.589453 O\n0.250330 0.967397 0.700410 O\n-0.025557 0.202041 0.910328 O\n0.525212 0.202209 0.910547 O\n0.525212 0.297791 0.410547 O\n0.249592 0.910775 0.413959 O\n0.474787 0.797790 0.089453 O\n",
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},
{
"id": "jvasp-98605",
"created_at": "2022-09-04T14:35:58.415464Z",
"updated_at": "2022-09-04T14:35:58.415491Z",
"structure_string": "Co5 Se4 Cl2 O12\n1.0\n6.255864 -0.067270 1.942198\n0.298821 6.925413 3.075672\n0.131072 -0.081947 7.763445\nCo Se Cl O\n5 4 2 12\ndirect\n0.117604 0.697251 0.429543 Co\n0.882395 0.302748 0.570457 Co\n0.000000 0.000000 0.000000 Co\n0.676405 0.123164 0.349579 Co\n0.323594 0.876835 0.650421 Co\n0.656264 0.684407 0.315959 Se\n0.343734 0.315591 0.684041 Se\n0.783988 0.830211 0.786282 Se\n0.216011 0.169788 0.213718 Se\n0.189127 0.671415 0.007233 Cl\n0.810872 0.328584 0.992767 Cl\n0.417156 0.693521 0.492849 O\n0.734836 0.923230 0.217271 O\n0.172757 0.950158 0.203221 O\n0.359203 0.106491 0.384259 O\n0.163783 0.413595 0.540194 O\n0.582843 0.306478 0.507151 O\n0.836216 0.586404 0.459806 O\n0.958630 0.196206 0.364077 O\n0.827242 0.049841 0.796779 O\n0.041369 0.803793 0.635923 O\n0.265163 0.076769 0.782729 O\n0.640796 0.893508 0.615741 O\n",
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],
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{
"id": "jvasp-98601",
"created_at": "2022-09-04T14:35:56.574714Z",
"updated_at": "2022-09-04T14:35:56.574726Z",
"structure_string": "Zr16 Fe8 H8 O4\n1.0\n6.170092 6.170092 0.000000\n-0.000000 6.170092 6.170092\n6.170092 -0.000000 6.170092\nZr Fe H O\n16 8 8 4\ndirect\n0.682683 0.067317 0.067317 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.317317 0.932682 0.317317 Zr\n0.932682 0.317317 0.932682 Zr\n0.932682 0.932682 0.317317 Zr\n0.317317 0.317317 0.932682 Zr\n0.317317 0.932682 0.932682 Zr\n0.682683 0.067317 0.682683 Zr\n0.067317 0.682683 0.067317 Zr\n0.682683 0.682683 0.067317 Zr\n0.067317 0.067317 0.682683 Zr\n0.067317 0.682683 0.682683 Zr\n0.932682 0.317317 0.317317 Zr\n0.298157 0.298157 0.605528 Fe\n0.298157 0.298157 0.298157 Fe\n0.605528 0.298157 0.298157 Fe\n0.298157 0.605528 0.298157 Fe\n0.701843 0.701843 0.394471 Fe\n0.394471 0.701843 0.701843 Fe\n0.701843 0.394471 0.701843 Fe\n0.701843 0.701843 0.701843 Fe\n0.782069 0.153793 0.782069 H\n0.782069 0.782069 0.153793 H\n0.153793 0.782069 0.782069 H\n0.782069 0.782069 0.782069 H\n0.217931 0.846207 0.217931 H\n0.217931 0.217931 0.846207 H\n0.846207 0.217931 0.217931 H\n0.217931 0.217931 0.217931 H\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:35:53.791232Z",
"updated_at": "2022-09-04T14:35:53.791249Z",
"structure_string": "Zn4 Si2 H4 O10\n1.0\n-4.235699 5.402882 2.563187\n4.235699 -5.402882 2.563187\n4.235699 5.402882 -2.563187\nZn Si H O\n4 2 4 10\ndirect\n0.840535 0.206046 0.042429 Zn\n0.163616 0.798105 0.957571 Zn\n0.840535 0.798105 0.634489 Zn\n0.163616 0.206045 0.365511 Zn\n0.362775 0.508832 0.853944 Si\n0.654889 0.508832 0.146056 Si\n0.651739 0.062076 0.410336 H\n0.651739 0.241403 0.589663 H\n0.179881 0.559970 0.380088 H\n0.179881 0.799794 0.619912 H\n0.597797 0.597797 -0.000000 O\n0.430679 0.796565 0.955474 O\n0.841090 0.475205 0.044526 O\n0.430679 0.475205 0.634114 O\n0.841090 0.796565 0.365886 O\n0.028174 0.192617 0.835557 O\n0.357060 0.192617 0.164443 O\n0.030301 0.338305 0.308004 O\n0.030301 0.722297 0.691996 O\n0.529926 0.029926 0.500000 O\n",
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