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{
"id": "jvasp-86199",
"created_at": "2022-09-04T14:36:08.305907Z",
"updated_at": "2022-09-04T14:36:08.305936Z",
"structure_string": "Mg6 B6 Ir6\n1.0\n5.298240 -0.000000 0.000000\n-2.649121 4.588411 -0.000000\n0.000000 0.000000 9.514322\nMg B Ir\n6 6 6\ndirect\n0.000000 0.500000 0.666667 Mg\n0.000000 0.000000 0.833333 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.166667 Mg\n0.500000 0.500000 0.333333 Mg\n0.500000 0.000000 0.000000 Mg\n0.397718 0.795436 0.500000 B\n0.397718 0.602282 0.833333 B\n0.795436 0.397717 0.166667 B\n0.602283 0.397717 0.833333 B\n0.602283 0.204564 0.500000 B\n0.204564 0.602282 0.166667 B\n0.500000 0.500000 0.045542 Ir\n0.500000 0.000000 0.712209 Ir\n0.500000 0.500000 0.621124 Ir\n0.500000 0.000000 0.287791 Ir\n0.000000 0.500000 0.378876 Ir\n0.000000 0.500000 0.954458 Ir\n",
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{
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"structure_string": "Ho1 Ni2 Ge2\n1.0\n3.788657 -0.000000 -1.443578\n-0.550041 3.748517 -1.443578\n-0.010410 -0.012050 5.666114\nHo Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.750001 0.250000 0.499999 Ni\n0.250000 0.750001 0.500000 Ni\n0.628005 0.628005 0.256008 Ge\n0.371996 0.371996 0.743991 Ge\n",
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{
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"created_at": "2022-09-04T14:36:08.300919Z",
"updated_at": "2022-09-04T14:36:08.300943Z",
"structure_string": "Li3 Ni3 O6\n1.0\n2.787670 1.609462 6.825048\n-2.787670 1.609462 6.825048\n0.000000 -3.218924 6.825048\nLi Ni O\n3 3 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.166667 0.166667 0.166667 Li\n0.833333 0.833333 0.833333 Li\n0.000000 0.000000 0.000000 Ni\n0.666667 0.666667 0.666667 Ni\n0.333333 0.333333 0.333333 Ni\n0.918892 0.918892 0.918892 O\n0.081109 0.081109 0.081109 O\n0.585559 0.585559 0.585559 O\n0.747776 0.747776 0.747776 O\n0.252224 0.252224 0.252224 O\n0.414442 0.414442 0.414442 O\n",
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"volume": 183.72956598335583,
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"formula_full": "Li3 Ni3 O6",
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"formula_anonymous": "ABC2",
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"spacegroup": 191
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{
"id": "jvasp-96878",
"created_at": "2022-09-04T14:36:08.300321Z",
"updated_at": "2022-09-04T14:36:08.300342Z",
"structure_string": "Na10 P6 H4 O22\n1.0\n10.698082 0.064896 -1.643838\n-0.683893 6.864147 -5.250240\n0.040453 -0.137504 6.860797\nNa P H O\n10 6 4 22\ndirect\n0.244953 0.000879 0.085108 Na\n0.755047 0.999123 0.914894 Na\n0.250493 0.583967 0.539854 Na\n0.749506 0.416035 0.460147 Na\n0.246700 0.562385 0.013936 Na\n0.753299 0.437616 0.986066 Na\n0.495715 0.779242 0.451731 Na\n0.504285 0.220759 0.548271 Na\n0.006525 0.815546 0.521070 Na\n-0.006525 0.184455 0.478932 Na\n0.027399 0.317424 0.116520 P\n0.466369 0.311426 0.110901 P\n0.972601 0.682577 0.883481 P\n0.280563 0.048348 0.623468 P\n0.719437 0.951654 0.376533 P\n0.533631 0.688575 0.889101 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.975203 0.975413 0.943188 H\n0.024797 0.024589 0.056814 H\n0.807051 0.792256 0.320159 O\n0.192949 0.207746 0.679843 O\n0.871130 0.714175 0.735115 O\n0.128870 0.285827 0.264886 O\n0.065658 0.518415 0.174776 O\n0.894830 0.318619 0.175958 O\n0.934342 0.481587 0.825225 O\n0.600675 0.387069 0.156447 O\n0.105170 0.681382 0.824044 O\n0.399325 0.612933 0.843555 O\n0.581669 0.825034 0.193831 O\n0.543308 0.844151 0.841888 O\n0.378993 0.472988 0.243509 O\n0.621007 0.527013 0.756493 O\n0.758163 0.082602 0.315081 O\n0.241837 0.917400 0.684920 O\n0.680418 0.065309 0.635780 O\n0.319582 0.934693 0.364221 O\n0.418331 0.174968 0.806170 O\n0.994323 0.841744 0.178550 O\n0.456692 0.155851 0.158114 O\n0.005677 0.158257 0.821452 O\n",
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"formula_full": "Na10 P6 H4 O22",
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{
"id": "jvasp-91631",
"created_at": "2022-09-04T14:36:08.297185Z",
"updated_at": "2022-09-04T14:36:08.297204Z",
"structure_string": "Ba3 Ca1 O4\n1.0\n5.447673 -0.000000 -0.000000\n-0.000000 5.447673 0.000000\n0.000000 0.000000 5.447673\nBa Ca O\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
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{
"id": "jvasp-66348",
"created_at": "2022-09-04T14:36:08.296763Z",
"updated_at": "2022-09-04T14:36:08.296787Z",
"structure_string": "Ba1 Bi1 W1\n1.0\n0.000000 3.885476 3.885476\n3.885476 0.000000 3.885476\n3.885476 3.885476 0.000000\nBa Bi W\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Bi\n0.500001 0.500001 0.500001 W\n",
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{
"id": "jvasp-92367",
"created_at": "2022-09-04T14:36:08.294179Z",
"updated_at": "2022-09-04T14:36:08.294201Z",
"structure_string": "Na1 P1 F3\n1.0\n5.752952 0.813662 0.555796\n3.583761 5.958652 0.202202\n3.879150 1.855857 2.608198\nNa P F\n1 1 3\ndirect\n0.089755 -0.013460 -0.064369 Na\n0.590929 0.488415 0.450266 P\n0.591881 0.749614 -0.083103 F\n0.587997 0.301910 -0.032856 F\n0.589437 0.773520 0.355063 F\n",
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{
"id": "jvasp-67590",
"created_at": "2022-09-04T14:36:08.288400Z",
"updated_at": "2022-09-04T14:36:08.288417Z",
"structure_string": "Ti2 Be1 Fe1\n1.0\n2.963391 0.000000 0.000000\n0.000000 2.963391 -0.000000\n0.000000 -0.000000 5.824875\nTi Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.970555 Ti\n0.500000 0.500000 0.285974 Ti\n0.000000 0.000000 0.541010 Be\n0.500000 0.500000 0.702459 Fe\n",
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{
"id": "jvasp-88884",
"created_at": "2022-09-04T14:36:08.287240Z",
"updated_at": "2022-09-04T14:36:08.287250Z",
"structure_string": "Li10 V2 P4 O18\n1.0\n7.328696 -0.057777 -2.051241\n-4.229608 5.985276 -2.051241\n0.030208 0.057777 7.610287\nLi V P O\n10 2 4 18\ndirect\n0.250001 0.750001 0.500001 Li\n0.250001 0.024811 0.774811 Li\n0.475190 0.250000 0.225190 Li\n0.024811 0.250001 0.774811 Li\n0.750001 0.524811 0.774811 Li\n0.524811 0.750001 0.774811 Li\n0.750001 0.250000 0.500000 Li\n0.750000 0.975190 0.225190 Li\n0.250000 0.475190 0.225190 Li\n0.975190 0.750000 0.225190 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.790374 0.290374 0.080747 P\n0.209627 0.709627 0.919254 P\n0.290374 0.209626 0.500000 P\n0.709627 0.790374 0.500001 P\n0.519547 0.302843 0.500000 O\n0.980455 0.480454 0.783297 O\n0.250000 0.250000 0.000000 O\n0.815514 0.122792 0.938304 O\n0.684487 0.622792 0.307279 O\n0.302843 0.802843 0.783297 O\n0.750000 0.750000 0.000000 O\n0.184487 0.877209 0.061697 O\n0.877209 0.815514 0.692722 O\n0.802843 0.019546 0.500000 O\n0.019546 0.519547 0.216704 O\n0.315514 0.377209 0.692722 O\n0.377209 0.684487 0.061697 O\n0.697158 0.197158 0.216704 O\n0.197158 0.980455 0.500001 O\n0.480454 0.697158 0.500001 O\n0.122792 0.184487 0.307279 O\n0.622792 0.315514 0.938305 O\n",
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{
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"structure_string": "Mg12 Co12\n1.0\n6.887809 0.000000 3.976678\n2.295936 6.493889 3.976678\n0.000000 0.000000 7.953358\nMg Co\n12 12\ndirect\n0.078819 0.671181 0.671181 Mg\n0.671181 0.078819 0.671181 Mg\n0.671181 0.671181 0.078819 Mg\n0.078819 0.078819 0.671181 Mg\n0.078819 0.671181 0.078819 Mg\n0.328820 0.921181 0.328819 Mg\n0.921181 0.328819 0.921181 Mg\n0.921181 0.328819 0.328819 Mg\n0.328819 0.328819 0.921181 Mg\n0.921181 0.921181 0.328819 Mg\n0.671181 0.078819 0.078819 Mg\n0.328820 0.921181 0.921181 Mg\n0.500000 0.500000 0.500000 Co\n0.299392 0.601827 0.299392 Co\n0.601827 0.299392 0.299392 Co\n0.700609 0.398174 0.700609 Co\n0.398174 0.700609 0.700609 Co\n0.700609 0.700609 0.398174 Co\n0.299392 0.299392 0.299392 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.299392 0.299392 0.601827 Co\n0.700609 0.700609 0.700609 Co\n",
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{
"id": "jvasp-74064",
"created_at": "2022-09-04T14:36:08.282043Z",
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"structure_string": "Mn2 Be1 Cd1\n1.0\n2.789894 0.000000 -0.000000\n0.000000 2.789894 0.000000\n0.000000 0.000000 6.368854\nMn Be Cd\n2 1 1\ndirect\n0.000000 0.000000 0.062248 Mn\n0.499999 0.499999 0.253832 Mn\n0.000000 0.000000 0.446565 Be\n0.499999 0.499999 0.737354 Cd\n",
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{
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"created_at": "2022-09-04T14:36:08.276010Z",
"updated_at": "2022-09-04T14:36:08.276027Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 5.828242 -0.076199\n5.048354 0.000000 0.000000\n0.000000 -2.035963 -8.103081\nLi H Se O\n4 4 2 10\ndirect\n0.322897 0.962099 -0.003422 Li\n0.860234 0.458838 0.421623 Li\n0.139767 0.958838 0.578377 Li\n0.677103 0.462100 0.003423 Li\n0.331511 0.911484 0.351263 H\n0.513842 0.598972 0.511965 H\n0.486158 0.098972 0.488035 H\n0.668489 0.411485 0.648738 H\n0.878533 0.961672 0.202713 Se\n0.121467 0.461672 0.797287 Se\n0.400506 0.926547 0.471574 O\n0.134932 0.894556 0.155164 O\n0.599495 0.426548 0.528426 O\n0.652657 0.828754 0.066310 O\n0.168034 0.787949 0.789558 O\n0.110363 0.338067 0.609786 O\n0.889637 0.838067 0.390214 O\n0.831966 0.287949 0.210442 O\n0.347343 0.328755 0.933690 O\n0.865068 0.394556 0.844836 O\n",
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]
}