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{
"id": "jvasp-48716",
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"structure_string": "Mn2 P2 H4 C2 O12\n1.0\n5.990732 0.000000 -0.010361\n-2.995366 7.488367 0.005180\n-2.069203 0.000000 5.146931\nMn P H C O\n2 2 4 2 12\ndirect\n0.194318 0.388638 0.500000 Mn\n0.805681 0.611363 0.500000 Mn\n0.330296 0.660591 0.000000 P\n0.669704 0.339409 0.000000 P\n0.179182 0.811351 0.180229 H\n0.632167 0.811351 0.819771 H\n0.367832 0.188650 0.180229 H\n0.820818 0.188650 0.819771 H\n0.102520 -0.000000 0.447799 C\n0.897480 -0.000000 0.552201 C\n0.816585 0.216260 -0.009773 O\n0.399674 0.216260 0.009773 O\n0.611226 0.448580 0.749840 O\n0.745973 0.849155 0.590062 O\n0.254027 0.150845 0.409937 O\n0.103181 0.849155 0.409937 O\n0.600326 0.783741 -0.009773 O\n0.183414 0.783741 0.009773 O\n0.162648 0.551420 0.749840 O\n0.837352 0.448580 0.250160 O\n0.388773 0.551420 0.250160 O\n0.896818 0.150845 0.590062 O\n",
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{
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"created_at": "2022-09-04T14:36:49.375409Z",
"updated_at": "2022-09-04T14:36:49.375436Z",
"structure_string": "Ba1 Y1 V1 Cu1 O5\n1.0\n3.915847 0.000000 0.000000\n0.000000 3.915879 0.000000\n0.000000 0.000000 7.682006\nBa Y V Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.005315 Ba\n0.000000 0.000000 0.546253 Y\n0.500000 0.500000 0.305114 V\n0.500000 0.500000 0.730086 Cu\n0.500000 0.000000 0.353649 O\n0.000000 0.500000 0.353655 O\n0.500000 0.000000 0.723559 O\n0.000000 0.500000 0.723557 O\n0.500000 0.500000 0.070897 O\n",
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"formula_full": "Ba1 Y1 V1 Cu1 O5",
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{
"id": "jvasp-29187",
"created_at": "2022-09-04T14:36:52.750765Z",
"updated_at": "2022-09-04T14:36:52.750799Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404129 -0.000000 -0.000000\n-1.702064 2.948113 -0.000044\n-0.000004 -0.000392 35.933381\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333344 0.666685 0.336222 Te\n0.333359 0.666715 0.708951 Te\n0.333325 0.666647 0.231799 Te\n0.333327 0.666651 0.604027 Te\n0.333281 0.666560 0.092098 Mo\n0.666671 0.333339 0.283988 Mo\n0.333376 0.666748 0.470271 W\n0.666681 0.333360 0.656554 W\n0.666604 0.333205 0.046306 Se\n0.666638 0.333274 0.137992 Se\n0.666717 0.333430 0.428321 S\n0.666694 0.333384 0.512221 S\n",
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{
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"created_at": "2022-09-04T14:36:41.574179Z",
"updated_at": "2022-09-04T14:36:41.574203Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.353305 0.000000 0.000000\n-1.676652 2.900757 0.139828\n0.000000 0.982870 20.106353\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.810556 0.621113 -0.085017 Te\n0.746880 0.493761 0.104565 Te\n0.445392 0.890783 0.009773 Mo\n0.662969 0.325940 0.357085 Mo\n0.224955 0.449910 0.674105 W\n0.301733 0.603468 0.440174 Se\n0.357528 0.715056 0.273987 Se\n0.583825 0.167651 0.598082 S\n0.532762 0.065524 0.750086 S\n",
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{
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"created_at": "2022-09-04T14:36:53.671400Z",
"updated_at": "2022-09-04T14:36:53.671411Z",
"structure_string": "Ba1 Y1 Cu1 Ni1 O5\n1.0\n3.870163 0.000000 0.000000\n0.000000 3.870163 0.000000\n0.000000 -0.000000 7.504831\nBa Y Cu Ni O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968253 Ba\n0.000000 0.000000 0.463324 Y\n0.500000 0.500000 0.237700 Cu\n0.500000 0.500000 0.700494 Ni\n0.000000 0.500000 0.654007 O\n0.500000 0.000000 0.654007 O\n0.000000 0.500000 0.277394 O\n0.500000 0.000000 0.277394 O\n0.500000 0.500000 0.955343 O\n",
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{
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"created_at": "2022-09-04T14:36:40.943658Z",
"updated_at": "2022-09-04T14:36:40.943675Z",
"structure_string": "Li4 Mn3 Ni1 P4 O16\n1.0\n0.000000 4.731199 -0.001772\n6.060749 0.000000 0.000000\n0.000000 -0.014548 -10.326680\nLi Mn Ni P O\n4 3 1 4 16\ndirect\n0.998430 0.250802 0.005243 Li\n0.998430 0.749198 0.005243 Li\n0.501829 0.747113 0.494139 Li\n0.501829 0.252887 0.494139 Li\n0.029999 0.000000 0.718006 Mn\n0.471539 0.000000 0.221665 Mn\n0.524666 0.500000 0.779367 Mn\n0.973932 0.500000 0.278477 Ni\n0.915570 0.000000 0.407475 P\n0.587699 0.000000 0.909279 P\n0.412063 0.500000 0.097181 P\n0.084473 0.500000 0.586097 P\n0.782003 0.795209 0.337184 O\n0.760882 0.500000 0.591403 O\n0.737066 0.500000 0.101474 O\n0.721860 0.203742 0.838922 O\n0.721860 0.796259 0.838922 O\n0.712267 0.000000 0.048604 O\n0.292174 0.500000 0.956878 O\n0.221007 0.297633 0.657708 O\n0.274000 0.296476 0.166174 O\n0.263704 0.000000 0.906265 O\n0.239821 0.000000 0.406190 O\n0.221007 0.702367 0.657708 O\n0.782003 0.204792 0.337184 O\n0.207853 0.500000 0.446623 O\n0.274000 0.703524 0.166174 O\n0.788029 0.000000 0.546274 O\n",
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{
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"created_at": "2022-09-04T14:36:41.845421Z",
"updated_at": "2022-09-04T14:36:41.845447Z",
"structure_string": "Sr2 Mn1 Ga1 O5 F1\n1.0\n3.838734 -0.000000 0.000000\n0.000000 3.944790 0.000000\n0.000000 0.000000 7.743032\nSr Mn Ga O F\n2 1 1 5 1\ndirect\n0.499999 0.500000 0.763187 Sr\n0.499999 0.500000 0.236813 Sr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.499999 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.754749 O\n0.000000 0.000000 0.245250 O\n0.499999 0.000000 0.500000 O\n0.000000 0.500000 0.500000 F\n",
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{
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"updated_at": "2022-09-04T14:36:52.195451Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.289546 0.014421 0.315049\n2.121241 4.621675 0.170634\n-0.080894 -0.018050 10.160896\nH Pb C S O\n8 1 6 1 4\ndirect\n0.055210 0.694850 0.318612 H\n0.703966 0.678411 0.412849 H\n0.475216 0.274781 0.436342 H\n0.227514 0.575186 0.539257 H\n0.652090 0.276799 0.744027 H\n0.602532 0.576403 0.640542 H\n0.022312 0.679453 0.767225 H\n0.654391 0.696163 0.861301 H\n0.695248 0.011380 0.090180 Pb\n0.114229 0.339530 0.909318 C\n0.893349 0.546079 0.807676 C\n0.783618 0.404773 0.700585 C\n0.950414 0.338439 0.271127 C\n0.965764 0.544908 0.372496 C\n0.216451 0.403587 0.479693 C\n0.124845 0.153341 0.590513 S\n0.116604 0.089402 0.926203 O\n0.197388 0.088403 0.254357 O\n0.292211 0.428336 0.977648 O\n0.683688 0.427356 0.202836 O\n",
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"structure_string": "Ba1 Al1 Cu1 Mo1 O5\n1.0\n3.749299 0.000000 0.000000\n0.000000 3.749299 0.000000\n0.000000 0.000000 8.291995\nBa Al Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968065 Ba\n0.000000 0.000000 0.556916 Al\n0.500000 0.500000 0.719446 Cu\n0.500000 0.500000 0.302636 Mo\n0.500000 0.000000 0.400071 O\n0.000000 0.500000 0.400071 O\n0.500000 0.000000 0.697718 O\n0.000000 0.500000 0.697718 O\n0.500000 0.500000 0.069421 O\n",
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"structure_string": "Y2 Mg1 Mn2 S2 O5\n1.0\n-3.899011 -0.000054 -0.001046\n-0.000072 -3.939350 -0.001011\n1.947103 1.966597 11.074481\nY Mg Mn S O\n2 1 2 2 5\ndirect\n0.662690 0.663965 0.325498 Y\n0.336971 0.338151 0.673856 Y\n0.998323 0.501063 0.999671 Mg\n0.907819 0.908957 0.815459 Mn\n0.091901 0.093161 0.183890 Mn\n0.795274 0.796440 0.590456 S\n0.204428 0.205662 0.408901 S\n0.396960 0.898154 0.793843 O\n0.602674 0.103972 0.205513 O\n0.907402 0.408728 0.814989 O\n0.091943 0.593399 0.184355 O\n0.999429 0.001057 -0.000331 O\n",
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{
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"created_at": "2022-09-04T14:36:42.262047Z",
"updated_at": "2022-09-04T14:36:42.262071Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.408434 0.000000 0.000000\n-1.704216 2.951801 0.000009\n0.000000 0.000112 38.647904\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333352 0.666707 0.706300 Te\n0.666639 0.333279 0.420629 Te\n0.666633 0.333269 0.518176 Te\n0.333356 0.666715 0.609024 Te\n0.666690 0.333383 0.281797 Mo\n0.333311 0.666625 0.093916 W\n0.333301 0.666603 0.469523 W\n0.666689 0.333380 0.657687 W\n0.666650 0.333299 0.051274 Se\n0.666645 0.333291 0.136798 Se\n0.333356 0.666715 0.320743 S\n0.333364 0.666731 0.242880 S\n",
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}