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{
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{
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{
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"structure_string": "Na4 Cr4 O8\n1.0\n5.210611 -0.004496 -0.000040\n0.872510 5.262457 -1.503742\n0.000054 -0.000369 6.016665\nNa Cr O\n4 4 8\ndirect\n0.499999 -0.000000 0.750000 Na\n0.499999 -0.000000 0.250000 Na\n-0.000000 0.000000 0.500000 Na\n0.999998 0.999999 1.000001 Na\n0.749999 0.500000 0.874998 Cr\n0.250000 0.500000 0.625004 Cr\n0.749999 0.500000 0.374997 Cr\n0.250000 0.500000 0.125004 Cr\n0.116247 0.302411 0.825605 O\n0.116247 0.302411 0.325604 O\n0.616247 0.302411 0.575610 O\n0.616247 0.302411 0.075609 O\n0.383752 0.697589 0.924392 O\n0.383752 0.697589 0.424391 O\n0.883752 0.697589 0.674397 O\n0.883752 0.697589 0.174397 O\n",
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{
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"created_at": "2022-09-04T14:37:27.779675Z",
"updated_at": "2022-09-04T14:37:27.779712Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.945106 -0.064733 -0.045774\n2.916492 5.051513 -0.000000\n2.916492 1.683838 4.762611\nMg Mn O\n2 4 8\ndirect\n0.993236 0.002255 0.002256 Mg\n0.123037 0.625654 0.625654 Mg\n0.252500 0.249167 0.249167 Mn\n0.626138 0.123277 0.625293 Mn\n0.626138 0.625293 0.123277 Mn\n0.626138 0.625293 0.625293 Mn\n0.402056 0.380211 0.380211 O\n0.402056 0.380211 0.837521 O\n0.402056 0.837521 0.380211 O\n0.843319 0.385561 0.385561 O\n0.406040 0.864653 0.864653 O\n0.849095 0.410884 0.870011 O\n0.849095 0.870011 0.410885 O\n0.849095 0.870011 0.870011 O\n",
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{
"id": "jvasp-42267",
"created_at": "2022-09-04T14:36:11.491655Z",
"updated_at": "2022-09-04T14:36:11.491679Z",
"structure_string": "Li4 Fe2 O2 F6\n1.0\n-0.000000 4.162241 4.162241\n-4.233815 4.173405 -0.011166\n0.058800 -4.125706 4.125706\nLi Fe O F\n4 2 2 6\ndirect\n0.378300 0.743399 0.844585 Li\n0.000000 0.499999 0.500000 Li\n0.000000 0.499999 -0.000001 Li\n0.621701 0.256599 0.155414 Li\n0.000000 -0.000000 0.500001 Fe\n0.500000 -0.000000 0.500001 Fe\n0.753284 0.993430 0.297852 O\n0.246717 0.006568 0.702147 O\n0.756400 0.987200 0.751296 F\n0.227432 0.518489 0.262480 F\n0.754079 0.518489 0.262480 F\n0.245921 0.481509 0.737519 F\n0.772568 0.481509 0.737519 F\n0.243601 0.012799 0.248704 F\n",
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{
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"created_at": "2022-09-04T14:38:44.946490Z",
"updated_at": "2022-09-04T14:38:44.946512Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.547378 0.002873 1.018576\n1.509407 4.428333 1.417425\n0.032258 -0.013523 6.573440\nCd H C O\n1 2 3 4\ndirect\n0.244754 0.500058 0.535326 Cd\n0.199037 0.205324 0.994156 H\n0.363155 0.794787 0.076481 H\n0.784853 0.966482 0.838048 C\n0.554005 0.033630 0.232602 C\n0.444938 0.000055 0.035322 C\n0.518646 0.296505 0.242455 O\n0.665000 0.796570 0.380039 O\n0.806237 0.203540 0.690624 O\n0.022203 0.703601 0.828196 O\n",
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"spacegroup": 5
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{
"id": "jvasp-62066",
"created_at": "2022-09-04T14:36:05.680217Z",
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"structure_string": "Si8 B24\n1.0\n-3.110796 4.202815 6.310998\n3.110796 -4.202815 6.310998\n3.110796 4.202815 -6.310998\nSi B\n8 24\ndirect\n0.654324 0.657358 0.003034 Si\n0.154323 0.151289 0.996966 Si\n0.345676 0.342642 0.996966 Si\n0.020560 0.687208 0.207768 Si\n0.479440 0.687208 0.666646 Si\n0.979439 0.312793 0.792232 Si\n0.520560 0.312793 0.333354 Si\n0.845677 0.848712 0.003034 Si\n0.323636 0.154156 0.480949 B\n0.176363 0.657314 0.830519 B\n0.173206 0.342688 0.519051 B\n0.326794 0.845845 0.169482 B\n0.676363 0.845845 0.519051 B\n0.823637 0.342687 0.169481 B\n0.826794 0.657313 0.480949 B\n0.673205 0.154156 0.830518 B\n0.777510 0.390539 0.392277 B\n0.073983 0.797192 0.723211 B\n0.426017 0.149228 0.723210 B\n0.568971 0.297485 0.728513 B\n0.931028 0.659542 0.728513 B\n0.068972 0.340459 0.271488 B\n0.431029 0.702516 0.271488 B\n0.998260 0.390539 0.613027 B\n0.501739 0.114767 0.392277 B\n0.277511 0.885233 0.386973 B\n0.222489 0.609462 0.607723 B\n0.001740 0.609462 0.386973 B\n0.498261 0.885233 0.607723 B\n0.722489 0.114767 0.613027 B\n0.926017 0.202809 0.276789 B\n0.573983 0.850773 0.276791 B\n",
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{
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"created_at": "2022-09-04T14:38:40.967943Z",
"updated_at": "2022-09-04T14:38:40.967970Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.183917 -0.000000 0.000000\n-2.591958 4.489404 -0.000000\n0.000000 -0.000000 10.636523\nNa Fe O\n8 4 12\ndirect\n-0.000000 0.681785 0.750000 Na\n0.318214 0.000000 0.250000 Na\n-0.000000 0.318214 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.318214 0.318214 0.750000 Na\n0.681786 0.000000 0.750000 Na\n0.681786 0.681785 0.250000 Na\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666666 0.000000 Fe\n0.333333 0.666666 0.500000 Fe\n0.666667 0.333333 0.500000 Fe\n0.621639 0.621639 0.598413 O\n-0.000000 0.621639 0.098413 O\n-0.000000 0.621639 0.401587 O\n-0.000000 0.378361 0.598413 O\n-0.000000 0.378361 0.901587 O\n0.378361 0.000000 0.598413 O\n0.378361 0.000000 0.901587 O\n0.621640 0.000000 0.098413 O\n0.621640 0.000000 0.401587 O\n0.378361 0.378361 0.098413 O\n0.378361 0.378361 0.401587 O\n0.621639 0.621639 0.901587 O\n",
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"formula_full": "Na8 Fe4 O12",
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{
"id": "jvasp-58320",
"created_at": "2022-09-04T14:37:37.149323Z",
"updated_at": "2022-09-04T14:37:37.149333Z",
"structure_string": "Na2 Al2 Si4 O12\n1.0\n5.141112 -0.003412 1.174615\n1.327749 6.249903 0.615891\n-0.002260 0.005397 6.418995\nNa Al Si O\n2 2 4 12\ndirect\n0.250000 0.699196 0.300804 Na\n0.750000 0.300804 0.699196 Na\n0.250000 0.093071 0.906929 Al\n0.750000 0.906929 0.093071 Al\n0.271600 0.196678 0.384717 Si\n0.728400 0.803323 0.615283 Si\n0.771600 0.384717 0.196678 Si\n0.228400 0.615283 0.803322 Si\n0.371615 0.032408 0.185437 O\n0.128385 0.814563 0.967592 O\n0.494151 0.346045 0.361985 O\n0.704693 0.625770 0.097033 O\n0.795306 0.902968 0.374230 O\n0.295306 0.374230 0.902967 O\n0.204693 0.097032 0.625770 O\n0.994150 0.361985 0.346045 O\n0.505849 0.653956 0.638015 O\n0.005849 0.638015 0.653955 O\n0.871615 0.185437 0.032408 O\n0.628384 0.967593 0.814563 O\n",
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"volume": 206.2886293443824,
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{
"id": "jvasp-42376",
"created_at": "2022-09-04T14:37:17.302234Z",
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"structure_string": "Li1 Fe6 O7 F5\n1.0\n5.938995 -0.007109 0.121013\n-0.938429 5.873752 0.067490\n-0.944285 -1.151017 5.582710\nLi Fe O F\n1 6 7 5\ndirect\n0.997713 0.993332 -0.001261 Li\n0.342196 0.600890 0.145278 Fe\n0.867199 0.663782 0.382078 Fe\n0.605941 0.143100 0.332490 Fe\n0.406071 0.864913 0.661531 Fe\n0.144998 0.343104 0.606284 Fe\n0.666106 0.421849 0.861000 Fe\n0.419810 0.605012 0.818394 O\n0.415377 0.185206 0.597073 O\n0.818213 0.434558 0.597859 O\n0.606643 0.811211 0.412792 O\n0.553076 0.376467 0.155481 O\n0.872710 0.663561 0.072814 O\n0.170167 0.584509 0.401932 O\n0.689056 0.045175 0.894183 F\n0.307897 0.938200 0.119817 F\n0.948925 0.118414 0.320634 F\n0.060785 0.892553 0.682152 F\n0.107117 0.314156 0.939465 F\n",
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{
"id": "jvasp-98611",
"created_at": "2022-09-04T14:36:10.013711Z",
"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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{
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"created_at": "2022-09-04T14:36:08.756099Z",
"updated_at": "2022-09-04T14:36:08.756122Z",
"structure_string": "Be1 Fe2 Ni1\n1.0\n-1.668249 1.668249 3.706289\n1.668249 -1.668249 3.706289\n1.668249 1.668249 -3.706289\nBe Fe Ni\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Ni\n",
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}
]
}