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{
"id": "mp-698183",
"created_at": "2022-09-04T14:44:23.706251Z",
"structure_string": "Mg3 P2 H44 O30\n1.0\n-6.987275 0.000000 0.000000\n3.488152 6.068483 0.000000\n-0.022348 -2.517624 -15.962901\nMg P H O\n3 2 44 30\ndirect\n0.000000 0.500000 0.000000 Mg\n0.649113 0.247595 0.655681 Mg\n0.350887 0.752405 0.344319 Mg\n0.002797 0.963221 0.759053 P\n0.997203 0.036779 0.240947 P\n0.704245 0.361173 0.853458 H\n0.295755 0.638827 0.146542 H\n0.763952 0.177897 0.865929 H\n0.236048 0.822103 0.134071 H\n0.141866 0.798592 0.881626 H\n0.858134 0.201408 0.118374 H\n0.243982 0.923186 0.975496 H\n0.756018 0.076814 0.024504 H\n0.187076 0.318394 0.891918 H\n0.812924 0.681606 0.108082 H\n0.258132 0.309336 0.985875 H\n0.741868 0.690664 0.014125 H\n0.830170 0.009832 0.602425 H\n0.169830 0.990168 0.397575 H\n0.713379 0.995108 0.513752 H\n0.286621 0.004892 0.486248 H\n0.846979 0.671176 0.615905 H\n0.153021 0.328824 0.384095 H\n0.757675 0.498814 0.528207 H\n0.242325 0.501186 0.471793 H\n0.027509 0.567455 0.742984 H\n0.972491 0.432545 0.257016 H\n0.040366 0.342538 0.745269 H\n0.959634 0.657462 0.254731 H\n0.412223 0.344694 0.772450 H\n0.587777 0.655306 0.227550 H\n0.636006 0.580895 0.770455 H\n0.363994 0.419105 0.229545 H\n0.197112 0.050987 0.618769 H\n0.802888 0.949013 0.381231 H\n0.338515 0.283260 0.584972 H\n0.661485 0.716740 0.415028 H\n0.596290 0.921845 0.744128 H\n0.403710 0.078155 0.255872 H\n0.360035 0.916173 0.744968 H\n0.639965 0.083827 0.255032 H\n0.491466 0.728291 0.948393 H\n0.508534 0.271709 0.051607 H\n0.706415 0.839676 0.897012 H\n0.293585 0.160324 0.102988 H\n0.382718 0.671063 0.610849 H\n0.617282 0.328937 0.389151 H\n0.145326 0.471658 0.614252 H\n0.854674 0.528342 0.385748 H\n0.974856 0.928554 0.661342 O\n0.025144 0.071446 0.338658 O\n0.149924 0.218004 0.791314 O\n0.850076 0.781996 0.208686 O\n0.113025 0.832644 0.785285 O\n0.886975 0.167356 0.214715 O\n0.770740 0.875999 0.794949 O\n0.229260 0.124001 0.205051 O\n0.765732 0.310954 0.895434 O\n0.234268 0.689046 0.104566 O\n0.168853 0.774973 0.939452 O\n0.831147 0.225027 0.060548 O\n0.215914 0.393312 0.951949 O\n0.784086 0.606688 0.048051 O\n0.751307 0.070090 0.572703 O\n0.248693 0.929910 0.427297 O\n0.762209 0.509520 0.589965 O\n0.237791 0.490480 0.410035 O\n0.975651 0.412488 0.712793 O\n0.024349 0.587512 0.287207 O\n0.575223 0.416195 0.762710 O\n0.424777 0.583805 0.237290 O\n0.338362 0.143230 0.589902 O\n0.661638 0.856770 0.410098 O\n0.496776 0.959743 0.713739 O\n0.503224 0.040257 0.286261 O\n0.653251 0.826542 0.954625 O\n0.346749 0.173458 0.045375 O\n0.277472 0.521140 0.581512 O\n0.722528 0.478860 0.418488 O\n",
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"elements": [
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],
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"density": 1.617195300726864,
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"volume": 676.8614751439127,
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"formula_full": "Mg3 P2 H44 O30",
"formula_reduced": "Mg3P2(H22O15)2",
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"energy": -436.69625455,
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"total_magnetization": 8.36e-05,
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"updated_at": "2021-11-28T01:36:35.412000Z",
"spacegroup": 2
},
{
"id": "mp-706658",
"created_at": "2022-09-04T14:39:27.158838Z",
"structure_string": "Mg3 P2 H44 O30\n1.0\n6.926449 0.000000 0.000000\n-3.444812 -6.117079 0.000000\n-1.198034 0.154916 -15.915498\nMg P H O\n3 2 44 30\ndirect\n0.000000 0.000000 0.000000 Mg\n0.784477 0.890710 0.343930 Mg\n0.215523 0.109290 0.656070 Mg\n0.905447 0.445293 0.760191 P\n0.094553 0.554707 0.239809 P\n0.984212 0.671400 0.393942 H\n0.015788 0.328600 0.606058 H\n0.006006 0.217328 0.516982 H\n0.993994 0.782672 0.483018 H\n0.970568 0.327703 0.383208 H\n0.029432 0.672297 0.616792 H\n0.732833 0.181722 0.417729 H\n0.267167 0.818278 0.582271 H\n0.858515 0.809379 0.739143 H\n0.141485 0.190621 0.260857 H\n0.859585 0.039526 0.741603 H\n0.140415 0.960474 0.258397 H\n0.766091 0.923623 0.151443 H\n0.233909 0.076377 0.848557 H\n0.778000 0.717251 0.122783 H\n0.222000 0.282749 0.877217 H\n0.798391 0.641488 0.887195 H\n0.201609 0.358512 0.112805 H\n0.751868 0.561005 0.982381 H\n0.248132 0.438995 0.017619 H\n0.777398 0.142718 0.893490 H\n0.222602 0.857282 0.106510 H\n0.727751 0.176921 0.988099 H\n0.272249 0.823079 0.011901 H\n0.512256 0.074314 0.773977 H\n0.487744 0.925686 0.226023 H\n0.715643 0.161657 0.227079 H\n0.284357 0.838343 0.772921 H\n0.745043 0.373792 0.105839 H\n0.254957 0.626208 0.894161 H\n0.511207 0.266107 0.051827 H\n0.488793 0.733893 0.948173 H\n0.707583 0.522145 0.250522 H\n0.292417 0.477855 0.749478 H\n0.478002 0.533023 0.251521 H\n0.521998 0.466977 0.748479 H\n0.653391 0.294536 0.615289 H\n0.346609 0.705464 0.384711 H\n0.498309 0.244865 0.529145 H\n0.501691 0.755135 0.470855 H\n0.543067 0.393319 0.393314 H\n0.456933 0.606681 0.606686 H\n0.644908 0.850603 0.611194 H\n0.355092 0.149397 0.388806 H\n0.906827 0.444720 0.662359 O\n0.093173 0.555280 0.337641 O\n0.786455 0.204892 0.790597 O\n0.213545 0.795108 0.209403 O\n0.783692 0.568776 0.785961 O\n0.216308 0.431224 0.214039 O\n0.847390 0.432388 0.202480 O\n0.152610 0.567612 0.797520 O\n0.917509 0.743454 0.426087 O\n0.082491 0.256546 0.573913 O\n0.875459 0.182824 0.412257 O\n0.124541 0.817176 0.587743 O\n0.900833 0.948731 0.707213 O\n0.099167 0.051269 0.292787 O\n0.810653 0.864067 0.105540 O\n0.189347 0.135933 0.894460 O\n0.797059 0.691009 0.945184 O\n0.202941 0.308991 0.054816 O\n0.766176 0.087447 0.952560 O\n0.233824 0.912553 0.047440 O\n0.655451 0.001143 0.236773 O\n0.344549 0.998857 0.763227 O\n0.672968 0.344872 0.046870 O\n0.327032 0.655128 0.953130 O\n0.630949 0.588474 0.280088 O\n0.369051 0.411526 0.719912 O\n0.503571 0.783198 0.409639 O\n0.496429 0.216802 0.590361 O\n0.494826 0.250635 0.420481 O\n0.505174 0.749365 0.579519 O\n",
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"elements": [
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"formula_full": "Mg3 P2 H44 O30",
"formula_reduced": "Mg3P2(H22O15)2",
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"energy": -436.60852733,
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{
"id": "mp-1221876",
"created_at": "2022-09-04T14:39:32.699239Z",
"structure_string": "Mn6 Cr6 P4\n1.0\n2.213443 6.364123 0.000000\n-2.213443 6.364123 0.000000\n0.000000 6.337871 6.384382\nMn Cr P\n6 6 4\ndirect\n0.406383 0.932329 0.052540 Mn\n0.067671 0.593617 0.947460 Mn\n0.022194 0.047000 0.609798 Mn\n0.953000 0.977806 0.390202 Mn\n0.362193 0.342397 0.675361 Mn\n0.657603 0.637807 0.324639 Mn\n0.335256 0.870490 0.819879 Cr\n0.129510 0.664744 0.180121 Cr\n0.852565 0.302521 0.027815 Cr\n0.697479 0.147435 0.972185 Cr\n0.983213 0.461025 0.606658 Cr\n0.538975 0.016787 0.393342 Cr\n0.534037 0.544846 0.665571 P\n0.455154 0.465963 0.334429 P\n0.796740 0.791974 0.753415 P\n0.208026 0.203260 0.246585 P\n",
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"formula_full": "Mn6 Cr6 P4",
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{
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"structure_string": "Hf6 N4 O6\n1.0\n2.020526 -5.271758 0.000000\n2.020526 5.271758 0.000000\n0.000000 0.000000 10.569483\nHf N O\n6 4 6\ndirect\n0.808119 0.191881 0.250000 Hf\n0.856062 0.143938 0.943334 Hf\n0.856062 0.143938 0.556666 Hf\n0.191881 0.808119 0.750000 Hf\n0.143938 0.856062 0.056666 Hf\n0.143938 0.856062 0.443334 Hf\n0.699656 0.300344 0.421053 N\n0.699656 0.300344 0.078947 N\n0.300344 0.699656 0.578947 N\n0.300344 0.699656 0.921053 N\n0.752248 0.247752 0.750000 O\n0.956530 0.043470 0.115973 O\n0.956530 0.043470 0.384027 O\n0.247752 0.752248 0.250000 O\n0.043470 0.956530 0.884027 O\n0.043470 0.956530 0.615973 O\n",
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{
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{
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{
"id": "mp-1216468",
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"structure_string": "V3 Si2 Mo3\n1.0\n-0.004594 4.809521 -0.004594\n0.004594 -0.004594 4.809521\n4.809521 -0.004594 0.004594\nV Si Mo\n3 2 3\ndirect\n0.499292 0.250000 0.999292 V\n0.750000 0.999292 0.500708 V\n0.000708 0.500708 0.250000 V\n0.505503 0.494497 0.494497 Si\n0.994497 0.005503 0.005503 Si\n0.500146 0.750000 0.000146 Mo\n0.250000 0.000146 0.499854 Mo\n0.999854 0.499854 0.750000 Mo\n",
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"formula_full": "V3 Si2 Mo3",
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