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{
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"formula_full": "Mg30 Fe1 Si1 O32",
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"updated_at": "2021-11-28T01:35:26.239000Z",
"spacegroup": 123
},
{
"id": "mp-707521",
"created_at": "2022-09-04T14:46:19.063368Z",
"structure_string": "Mg16 Si8 H1 O32\n1.0\n8.210563 0.000000 0.000000\n0.015781 8.210020 0.000000\n0.062436 0.020648 8.232460\nMg Si H O\n16 8 1 32\ndirect\n0.377793 0.633916 0.376973 Mg\n0.872884 0.375490 0.123740 Mg\n0.625331 0.874839 0.874994 Mg\n0.125656 0.121994 0.626782 Mg\n0.874736 0.625653 0.875830 Mg\n0.391301 0.379885 0.650933 Mg\n0.123759 0.874059 0.374613 Mg\n0.626937 0.123908 0.124349 Mg\n0.873664 0.123380 0.374779 Mg\n0.375852 0.872698 0.123693 Mg\n0.123201 0.374837 0.873746 Mg\n0.626877 0.628343 0.624165 Mg\n0.375243 0.121036 0.873053 Mg\n0.874834 0.875717 0.625149 Mg\n0.631510 0.375944 0.378592 Mg\n0.124452 0.626266 0.123920 Mg\n0.999272 0.999150 0.999574 Si\n0.249909 0.750413 0.750074 Si\n0.499628 0.002037 0.499938 Si\n0.750087 0.750255 0.249731 Si\n0.500528 0.500732 0.004398 Si\n0.751918 0.249395 0.750569 Si\n0.997942 0.502746 0.497485 Si\n0.238959 0.236926 0.232861 Si\n0.251795 0.366890 0.451647 H\n0.634133 0.370112 0.631594 O\n0.131374 0.629733 0.867759 O\n0.370388 0.128067 0.126436 O\n0.868105 0.867897 0.368996 O\n0.617244 0.122205 0.380426 O\n0.119091 0.881769 0.118550 O\n0.881937 0.618469 0.619464 O\n0.380632 0.380255 0.889689 O\n0.127987 0.368053 0.126092 O\n0.630645 0.630146 0.369354 O\n0.870445 0.131722 0.630364 O\n0.368748 0.867901 0.868196 O\n0.119190 0.119238 0.881311 O\n0.618164 0.882752 0.618356 O\n0.380324 0.618054 0.123012 O\n0.882900 0.381066 0.380917 O\n0.131555 0.868549 0.630623 O\n0.631101 0.131855 0.868502 O\n0.868782 0.630615 0.131259 O\n0.347399 0.362862 0.370708 O\n0.120661 0.618586 0.379811 O\n0.616204 0.380580 0.124407 O\n0.381040 0.123523 0.618413 O\n0.881221 0.881199 0.881013 O\n0.631057 0.868436 0.131328 O\n0.128437 0.128479 0.365657 O\n0.370132 0.630421 0.631086 O\n0.869760 0.369033 0.867460 O\n0.618025 0.617603 0.881955 O\n0.128253 0.380985 0.607658 O\n0.881389 0.119201 0.118842 O\n0.380809 0.884396 0.381305 O\n",
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"H",
"O"
],
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"formula_full": "Mg16 Si8 H1 O32",
"formula_reduced": "Mg16Si8HO32",
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},
{
"id": "mp-530164",
"created_at": "2022-09-04T14:41:09.099381Z",
"structure_string": "Mg8 Al16 O32\n1.0\n18.957278 -2.886940 0.000000\n18.957278 2.886940 0.000000\n18.517635 0.000000 4.980962\nMg Al O\n8 16 32\ndirect\n0.155288 0.155288 0.155288 Mg\n0.499271 0.499271 0.499271 Mg\n0.405760 0.405760 0.405760 Mg\n0.656443 0.656443 0.656443 Mg\n0.094454 0.094454 0.094454 Mg\n0.906316 0.906316 0.906316 Mg\n0.343843 0.343843 0.343843 Mg\n0.593534 0.593534 0.593534 Mg\n0.621942 0.130123 0.621942 Al\n0.749911 0.749911 0.749911 Al\n0.130123 0.621942 0.621942 Al\n0.875046 0.375252 0.875046 Al\n0.621942 0.621942 0.130123 Al\n0.000235 0.000235 0.000235 Al\n0.375252 0.875046 0.875046 Al\n0.124789 0.625875 0.124789 Al\n0.875046 0.875046 0.375252 Al\n0.250495 0.250495 0.250495 Al\n0.625875 0.124789 0.124789 Al\n0.124789 0.124789 0.625875 Al\n0.372848 0.880064 0.372848 Al\n0.880064 0.372848 0.372848 Al\n0.372848 0.372848 0.880064 Al\n0.844413 0.844413 0.844413 Al\n0.322461 0.783444 0.322461 O\n0.440043 0.440043 0.440043 O\n0.783444 0.322461 0.322461 O\n0.322461 0.322461 0.783444 O\n0.918155 0.918155 0.480378 O\n0.579655 0.024700 0.579655 O\n0.480378 0.918155 0.918155 O\n0.690906 0.690906 0.690906 O\n0.812206 0.812206 0.812206 O\n0.024700 0.579655 0.579655 O\n0.579655 0.579655 0.024700 O\n0.918155 0.480378 0.918155 O\n0.829376 0.275142 0.829376 O\n0.170419 0.170419 0.725062 O\n0.059400 0.059400 0.059400 O\n0.725062 0.170419 0.170419 O\n0.940846 0.940846 0.940846 O\n0.275142 0.829376 0.829376 O\n0.829376 0.829376 0.275142 O\n0.170419 0.725062 0.170419 O\n0.080787 0.523494 0.080787 O\n0.420782 0.420782 0.974158 O\n0.974158 0.420782 0.420782 O\n0.309009 0.309009 0.309009 O\n0.190705 0.190705 0.190705 O\n0.523494 0.080787 0.080787 O\n0.080787 0.080787 0.523494 O\n0.420782 0.974158 0.420782 O\n0.686072 0.686072 0.196484 O\n0.558079 0.558079 0.558079 O\n0.196484 0.686072 0.686072 O\n0.686072 0.196484 0.686072 O\n",
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"volume": 545.2013982076904,
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"formula_full": "Mg8 Al16 O32",
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{
"id": "mp-1199709",
"created_at": "2022-09-04T14:41:24.022021Z",
"structure_string": "Ca2 Mn2 Al8 Si2 P6 H10 O40\n1.0\n5.793099 8.670868 0.000000\n-5.793099 8.670868 0.000000\n0.000000 2.948901 6.783574\nCa Mn Al Si P H O\n2 2 8 2 6 10 40\ndirect\n0.743391 0.256609 0.000000 Ca\n0.256609 0.743391 0.000000 Ca\n0.285525 0.285525 0.947239 Mn\n0.714475 0.714475 0.052761 Mn\n0.764660 0.498197 0.502752 Al\n0.498197 0.764660 0.502752 Al\n0.235340 0.501803 0.497248 Al\n0.501803 0.235340 0.497248 Al\n0.989386 0.247444 0.231474 Al\n0.247444 0.989386 0.231474 Al\n0.010614 0.752556 0.768526 Al\n0.752556 0.010614 0.768526 Al\n0.050384 0.050384 0.664847 Si\n0.949616 0.949616 0.335153 Si\n0.465910 0.465910 0.766648 P\n0.534090 0.534090 0.233352 P\n0.955660 0.462849 0.804596 P\n0.462849 0.955660 0.804596 P\n0.044340 0.537151 0.195404 P\n0.537151 0.044340 0.195404 P\n0.814188 0.814188 0.359345 H\n0.185812 0.185812 0.640655 H\n0.679309 0.679309 0.689662 H\n0.320691 0.320691 0.310338 H\n0.839629 0.254475 0.547295 H\n0.254475 0.839629 0.547295 H\n0.160371 0.745525 0.452705 H\n0.745525 0.160371 0.452705 H\n0.135702 0.135702 0.945303 H\n0.864298 0.864298 0.054697 H\n0.406692 0.406692 0.645053 O\n0.593308 0.593308 0.354947 O\n0.403510 0.403510 0.982497 O\n0.596490 0.596490 0.017503 O\n0.112533 0.877629 0.752499 O\n0.877629 0.112533 0.752499 O\n0.887467 0.122371 0.247501 O\n0.122371 0.887467 0.247501 O\n0.121987 0.416849 0.737314 O\n0.416849 0.121987 0.737314 O\n0.878013 0.583151 0.262686 O\n0.583151 0.878013 0.262686 O\n0.900157 0.623196 0.812940 O\n0.623196 0.900157 0.812940 O\n0.099843 0.376804 0.187060 O\n0.376804 0.099843 0.187060 O\n0.887306 0.437766 0.670647 O\n0.437766 0.887306 0.670647 O\n0.112694 0.562234 0.329353 O\n0.562234 0.112694 0.329353 O\n0.094936 0.094936 0.421229 O\n0.905064 0.905064 0.578771 O\n0.631349 0.412961 0.717894 O\n0.412961 0.631349 0.717894 O\n0.368651 0.587039 0.282106 O\n0.587039 0.368651 0.282106 O\n0.909448 0.368542 0.011602 O\n0.368542 0.909448 0.011602 O\n0.090552 0.631458 0.988398 O\n0.631458 0.090552 0.988398 O\n0.128081 0.128081 0.741966 O\n0.871919 0.871919 0.258034 O\n0.677741 0.677741 0.559887 O\n0.322259 0.322259 0.440113 O\n0.847338 0.329708 0.422956 O\n0.329708 0.847338 0.422956 O\n0.152662 0.670292 0.577044 O\n0.670292 0.152662 0.577044 O\n0.151885 0.151885 0.062095 O\n0.848115 0.848115 0.937905 O\n",
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],
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"formula_full": "Ca2 Mn2 Al8 Si2 P6 H10 O40",
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"spacegroup": 12
},
{
"id": "mp-1037799",
"created_at": "2022-09-04T14:43:22.322121Z",
"structure_string": "Mg30 Ti1 Fe1 O32\n1.0\n8.514555 0.000000 0.000000\n0.000000 8.554402 0.000000\n0.000000 0.000000 8.554402\nMg Ti Fe O\n30 1 1 32\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.249426 0.249426 Mg\n0.000000 0.249426 0.750574 Mg\n0.000000 0.750574 0.249426 Mg\n0.000000 0.750574 0.750574 Mg\n0.500000 0.249928 0.249928 Mg\n0.500000 0.249928 0.750072 Mg\n0.500000 0.750072 0.249928 Mg\n0.500000 0.750072 0.750072 Mg\n0.250129 0.000000 0.251058 Mg\n0.250129 0.000000 0.748942 Mg\n0.250502 0.500000 0.248668 Mg\n0.250502 0.500000 0.751332 Mg\n0.749871 0.000000 0.251058 Mg\n0.749871 0.000000 0.748942 Mg\n0.749498 0.500000 0.248668 Mg\n0.749498 0.500000 0.751332 Mg\n0.250129 0.251058 0.000000 Mg\n0.250502 0.248668 0.500000 Mg\n0.250129 0.748942 0.000000 Mg\n0.250502 0.751332 0.500000 Mg\n0.749871 0.251058 0.000000 Mg\n0.749498 0.248668 0.500000 Mg\n0.749871 0.748942 0.000000 Mg\n0.749498 0.751332 0.500000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.251790 0.000000 0.000000 O\n0.251462 0.000000 0.500000 O\n0.251462 0.500000 0.000000 O\n0.253319 0.500000 0.500000 O\n0.748210 0.000000 0.000000 O\n0.748538 0.000000 0.500000 O\n0.748538 0.500000 0.000000 O\n0.746681 0.500000 0.500000 O\n0.249961 0.249893 0.249893 O\n0.249961 0.249893 0.750107 O\n0.249961 0.750107 0.249893 O\n0.249961 0.750107 0.750107 O\n0.750039 0.249893 0.249893 O\n0.750039 0.249893 0.750107 O\n0.750039 0.750107 0.249893 O\n0.750039 0.750107 0.750107 O\n0.000000 0.000000 0.255285 O\n0.000000 0.000000 0.744715 O\n0.000000 0.500000 0.244547 O\n0.000000 0.500000 0.755453 O\n0.500000 0.000000 0.249961 O\n0.500000 0.000000 0.750039 O\n0.500000 0.500000 0.249923 O\n0.500000 0.500000 0.750077 O\n0.000000 0.255285 0.000000 O\n0.000000 0.244547 0.500000 O\n0.000000 0.744715 0.000000 O\n0.000000 0.755453 0.500000 O\n0.500000 0.249961 0.000000 O\n0.500000 0.249923 0.500000 O\n0.500000 0.750039 0.000000 O\n0.500000 0.750077 0.500000 O\n",
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{
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