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{
"id": "mp-30425",
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"structure_string": "Ba2 Be26\n1.0\n0.000000 5.300600 5.300600\n5.300600 0.000000 5.300600\n5.300600 5.300600 0.000000\nBa Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.066412 0.933588 0.282171 Be\n0.282171 0.717829 0.066412 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n0.717829 0.282171 0.933588 Be\n0.433588 0.782171 0.217829 Be\n0.217829 0.566412 0.433588 Be\n0.433588 0.566412 0.782171 Be\n0.566412 0.433588 0.217829 Be\n0.566412 0.782171 0.433588 Be\n0.217829 0.433588 0.782171 Be\n0.933588 0.282171 0.066412 Be\n0.066412 0.282171 0.717829 Be\n0.282171 0.066412 0.933588 Be\n0.066412 0.717829 0.933588 Be\n0.282171 0.933588 0.717829 Be\n0.933588 0.717829 0.282171 Be\n0.717829 0.066412 0.282171 Be\n0.717829 0.933588 0.066412 Be\n0.217829 0.782171 0.566412 Be\n0.782171 0.433588 0.566412 Be\n0.782171 0.566412 0.217829 Be\n0.433588 0.217829 0.566412 Be\n0.566412 0.217829 0.782171 Be\n0.782171 0.217829 0.433588 Be\n0.933588 0.066412 0.717829 Be\n",
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{
"id": "mp-1026772",
"created_at": "2022-09-04T14:45:40.981751Z",
"structure_string": "La1 Mg14 B1\n1.0\n6.704197 0.388336 0.000000\n-3.015790 5.223501 0.000000\n0.000000 0.000000 10.241925\nLa Mg B\n1 14 1\ndirect\n0.106759 0.303379 0.125000 La\n0.157053 0.328526 0.625000 Mg\n0.143809 0.821904 0.625000 Mg\n0.584741 0.278407 0.125000 Mg\n0.653334 0.331190 0.625000 Mg\n0.584741 0.806333 0.125000 Mg\n0.653334 0.822143 0.625000 Mg\n0.346383 0.172097 0.379203 Mg\n0.346383 0.172097 0.870797 Mg\n0.346383 0.674287 0.379203 Mg\n0.346383 0.674287 0.870797 Mg\n0.822128 0.161064 0.388643 Mg\n0.822128 0.161064 0.861357 Mg\n0.920246 0.710123 0.295759 Mg\n0.920246 0.710123 0.954241 Mg\n0.245950 0.872975 0.125000 B\n",
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"formula_full": "La1 Mg14 B1",
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{
"id": "mp-1199672",
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"structure_string": "Na2 Ga2 B2 P4 H6 O20\n1.0\n4.745823 4.118884 -2.360710\n4.745823 -4.118884 -2.360710\n0.001586 0.000000 -9.210051\nNa Ga B P H O\n2 2 2 4 6 20\ndirect\n0.130320 0.869680 0.250000 Na\n0.869680 0.130320 0.750000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.467012 0.532988 0.750000 B\n0.532988 0.467012 0.250000 B\n0.290907 0.162325 0.820383 P\n0.837675 0.709093 0.679617 P\n0.709093 0.837675 0.179617 P\n0.162325 0.290907 0.320383 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.320223 0.696419 0.924957 H\n0.303581 0.679777 0.575043 H\n0.679777 0.303581 0.075043 H\n0.696419 0.320223 0.424957 H\n0.083412 0.273361 0.189066 O\n0.726639 0.916588 0.310934 O\n0.916588 0.726639 0.810934 O\n0.273361 0.083412 0.689066 O\n0.467979 0.315355 0.747421 O\n0.684645 0.532021 0.752579 O\n0.532021 0.684645 0.252579 O\n0.315355 0.467979 0.247421 O\n0.304746 0.571509 0.899711 O\n0.428491 0.695254 0.600289 O\n0.695254 0.428491 0.100289 O\n0.571509 0.304746 0.399711 O\n0.362234 0.970352 0.955766 O\n0.029648 0.637766 0.544234 O\n0.637766 0.029648 0.044234 O\n0.970352 0.362234 0.455766 O\n0.068400 0.283350 0.887779 O\n0.716650 0.931600 0.612221 O\n0.931600 0.716650 0.112221 O\n0.283350 0.068400 0.387779 O\n",
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"formula_full": "Na2 Ga2 B2 P4 H6 O20",
"formula_reduced": "NaGaBP2H3O10",
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{
"id": "mp-1205048",
"created_at": "2022-09-04T14:39:24.885480Z",
"structure_string": "Ca4 Mn8 H32 O48\n1.0\n0.000000 5.589535 0.000000\n0.000000 0.000000 13.278884\n14.669582 0.000000 0.000000\nCa Mn H O\n4 8 32 48\ndirect\n0.250000 0.849558 0.250000 Ca\n0.750000 0.650442 0.750000 Ca\n0.750000 0.150442 0.750000 Ca\n0.250000 0.349558 0.250000 Ca\n0.987892 0.597640 0.132518 Mn\n0.512108 0.597640 0.367482 Mn\n0.012108 0.902360 0.632518 Mn\n0.487892 0.902360 0.867482 Mn\n0.012108 0.402360 0.867482 Mn\n0.487892 0.402360 0.632518 Mn\n0.987892 0.097640 0.367482 Mn\n0.512108 0.097640 0.132518 Mn\n0.546401 0.979407 0.384905 H\n0.953599 0.979407 0.115095 H\n0.453599 0.520593 0.884905 H\n0.046401 0.520593 0.615095 H\n0.453599 0.020593 0.615095 H\n0.046401 0.020593 0.884905 H\n0.546401 0.479407 0.115095 H\n0.953599 0.479407 0.384905 H\n0.414942 0.895601 0.439656 H\n0.085058 0.895601 0.060344 H\n0.585058 0.604399 0.939656 H\n0.914942 0.604399 0.560344 H\n0.585058 0.104399 0.560344 H\n0.914942 0.104399 0.939656 H\n0.414942 0.395601 0.060344 H\n0.085058 0.395601 0.439656 H\n0.933973 0.724708 0.378840 H\n0.566027 0.724708 0.121160 H\n0.066027 0.775292 0.878840 H\n0.433973 0.775292 0.621160 H\n0.066027 0.275292 0.621160 H\n0.433973 0.275292 0.878840 H\n0.933973 0.224708 0.121160 H\n0.566027 0.224708 0.378840 H\n0.857217 0.837076 0.389966 H\n0.642783 0.837076 0.110034 H\n0.142783 0.662924 0.889966 H\n0.357217 0.662924 0.610034 H\n0.142783 0.162924 0.610034 H\n0.357217 0.162924 0.889966 H\n0.857217 0.337076 0.110034 H\n0.642783 0.337076 0.389966 H\n0.713033 0.602525 0.093915 O\n0.786967 0.602525 0.406085 O\n0.286967 0.897475 0.593915 O\n0.213033 0.897475 0.906085 O\n0.286967 0.397475 0.906085 O\n0.213033 0.397475 0.593915 O\n0.713033 0.102525 0.406085 O\n0.786967 0.102525 0.093915 O\n0.172428 0.590690 0.049411 O\n0.327572 0.590690 0.450589 O\n0.827572 0.909310 0.549411 O\n0.672428 0.909310 0.950589 O\n0.827572 0.409310 0.950589 O\n0.672428 0.409310 0.549411 O\n0.172428 0.090690 0.450589 O\n0.327572 0.090690 0.049411 O\n0.018616 0.499120 0.196739 O\n0.481384 0.499120 0.303261 O\n0.981384 0.000880 0.696739 O\n0.518616 0.000880 0.803261 O\n0.981384 0.500880 0.803261 O\n0.518616 0.500880 0.696739 O\n0.018616 0.999120 0.303261 O\n0.481384 0.999120 0.196739 O\n0.041152 0.698340 0.191050 O\n0.458848 0.698340 0.308950 O\n0.958848 0.801660 0.691050 O\n0.541152 0.801660 0.808950 O\n0.958848 0.301660 0.808950 O\n0.541152 0.301660 0.691050 O\n0.041152 0.198340 0.308950 O\n0.458848 0.198340 0.191050 O\n0.494192 0.908347 0.381253 O\n0.005808 0.908347 0.118747 O\n0.505808 0.591653 0.881253 O\n0.994192 0.591653 0.618747 O\n0.505808 0.091653 0.618747 O\n0.994192 0.091653 0.881253 O\n0.494192 0.408347 0.118747 O\n0.005808 0.408347 0.381253 O\n0.993528 0.794548 0.373341 O\n0.506472 0.794548 0.126659 O\n0.006472 0.705452 0.873341 O\n0.493528 0.705452 0.626659 O\n0.006472 0.205452 0.626659 O\n0.493528 0.205452 0.873341 O\n0.993528 0.294548 0.126659 O\n0.506472 0.294548 0.373341 O\n",
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{
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{
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{
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{
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