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{
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"results": [
{
"id": "mp-554641",
"created_at": "2022-09-04T14:48:27.085249Z",
"structure_string": "Sr6 Mg2 Si4 O16\n1.0\n2.755698 4.789798 0.000000\n-2.755698 4.789798 0.000000\n0.000000 0.220022 14.033557\nSr Mg Si O\n6 2 4 16\ndirect\n0.058586 0.941414 0.250000 Sr\n0.941414 0.058586 0.750000 Sr\n0.316369 0.342944 0.588230 Sr\n0.657056 0.683631 0.911770 Sr\n0.683631 0.657056 0.411770 Sr\n0.342944 0.316369 0.088230 Sr\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.354671 0.327048 0.365424 Si\n0.672952 0.645329 0.134576 Si\n0.645329 0.672952 0.634576 Si\n0.327048 0.354671 0.865424 Si\n0.220042 0.629649 0.423657 O\n0.370351 0.779958 0.076343 O\n0.847017 0.783667 0.082431 O\n0.216333 0.152983 0.417569 O\n0.262096 0.401154 0.254910 O\n0.598846 0.737904 0.245090 O\n0.783667 0.847017 0.582431 O\n0.152983 0.216333 0.917569 O\n0.737904 0.598846 0.745090 O\n0.401154 0.262096 0.754910 O\n0.312563 0.846222 0.613398 O\n0.153778 0.687437 0.886602 O\n0.779958 0.370351 0.576343 O\n0.629649 0.220042 0.923657 O\n0.687437 0.153778 0.386602 O\n0.846222 0.312563 0.113398 O\n",
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"volume": 370.46448310862695,
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"updated_at": "2021-11-28T01:39:10.448000Z",
"spacegroup": 15
},
{
"id": "mp-1030841",
"created_at": "2022-09-04T14:43:23.345842Z",
"structure_string": "Sr1 Mg6 Si1 O8\n1.0\n8.718898 0.000000 0.000000\n0.000000 4.572341 0.000000\n0.000000 0.000000 4.572341\nSr Mg Si O\n1 6 1 8\ndirect\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.240485 -0.000000 0.500000 Mg\n0.759515 0.000000 0.500000 Mg\n0.240485 0.500000 -0.000000 Mg\n0.759515 0.500000 0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.228707 0.000000 0.000000 O\n0.771293 -0.000000 -0.000000 O\n0.248607 0.500000 0.500000 O\n0.751393 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
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"density": 3.548558486305368,
"density_atomic": 0.08777708645612146,
"volume": 182.27991661580356,
"volume_molar": 6.86072072238395,
"formula_full": "Sr1 Mg6 Si1 O8",
"formula_reduced": "SrMg6SiO8",
"formula_anonymous": "ABC6D8",
"energy": -97.33677081,
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"updated_at": "2021-11-28T01:36:07.099000Z",
"spacegroup": 123
},
{
"id": "mp-1039905",
"created_at": "2022-09-04T14:46:14.591380Z",
"structure_string": "Sr1 Mg30 Si1 O32\n1.0\n8.645870 0.000000 0.000000\n0.000000 8.645870 0.000000\n0.000000 0.000000 8.609245\nSr Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.257945 0.000000 0.245504 Mg\n0.257945 0.000000 0.754496 Mg\n0.742055 0.000000 0.245504 Mg\n0.742055 0.000000 0.754496 Mg\n0.250735 0.500000 0.249388 Mg\n0.250735 0.500000 0.750612 Mg\n0.749265 0.500000 0.249388 Mg\n0.749265 0.500000 0.750612 Mg\n0.000000 0.257945 0.245504 Mg\n0.000000 0.257945 0.754496 Mg\n0.500000 0.250735 0.249388 Mg\n0.500000 0.250735 0.750612 Mg\n0.000000 0.742055 0.245504 Mg\n0.000000 0.742055 0.754496 Mg\n0.500000 0.749265 0.249388 Mg\n0.500000 0.749265 0.750612 Mg\n0.251366 0.251366 0.000000 Mg\n0.255427 0.255427 0.500000 Mg\n0.748634 0.251366 0.000000 Mg\n0.744573 0.255427 0.500000 Mg\n0.251366 0.748634 0.000000 Mg\n0.255427 0.744573 0.500000 Mg\n0.748634 0.748634 0.000000 Mg\n0.744573 0.744573 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.264929 0.000000 O\n0.000000 0.269938 0.500000 O\n0.500000 0.252495 0.000000 O\n0.500000 0.254060 0.500000 O\n0.000000 0.735071 0.000000 O\n0.000000 0.730062 0.500000 O\n0.500000 0.747505 0.000000 O\n0.500000 0.745940 0.500000 O\n0.249203 0.249203 0.250176 O\n0.249203 0.249203 0.749824 O\n0.750797 0.249203 0.250176 O\n0.750797 0.249203 0.749824 O\n0.249203 0.750797 0.250176 O\n0.249203 0.750797 0.749824 O\n0.750797 0.750797 0.250176 O\n0.750797 0.750797 0.749824 O\n0.000000 0.000000 0.231738 O\n0.000000 0.000000 0.768262 O\n0.500000 0.000000 0.248206 O\n0.500000 0.000000 0.751794 O\n0.000000 0.500000 0.248206 O\n0.000000 0.500000 0.751794 O\n0.500000 0.500000 0.249663 O\n0.500000 0.500000 0.750337 O\n0.264929 0.000000 0.000000 O\n0.269938 0.000000 0.500000 O\n0.735071 0.000000 0.000000 O\n0.730062 0.000000 0.500000 O\n0.252495 0.500000 0.000000 O\n0.254060 0.500000 0.500000 O\n0.747505 0.500000 0.000000 O\n0.745940 0.500000 0.500000 O\n",
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"elements": [
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],
"chemical_system": "Mg-O-Si-Sr",
"density": 3.501015891027314,
"density_atomic": 0.09944833229971504,
"volume": 643.5502589135261,
"volume_molar": 6.05554725829953,
"formula_full": "Sr1 Mg30 Si1 O32",
"formula_reduced": "SrMg30SiO32",
"formula_anonymous": "ABC30D32",
"energy": -401.09165381,
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"updated_at": "2021-11-28T01:37:29.234000Z",
"spacegroup": 123
},
{
"id": "mp-1234246",
"created_at": "2022-09-04T14:40:42.362968Z",
"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.224796 -0.002555 -1.862713\n-0.084890 7.283910 -0.235098\n-0.045375 -0.256738 7.862031\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.188227 0.780433 0.393309 Sr\n0.815074 0.233503 0.625303 Sr\n0.876676 0.507730 0.009477 Mg\n0.905508 0.768766 0.779405 V\n0.123626 0.246124 0.238288 V\n0.380227 0.475246 0.784616 Si\n0.589471 0.541151 0.228421 Si\n0.608350 0.987031 0.225517 Si\n0.402311 0.030264 0.792716 Si\n0.624389 0.767205 0.280252 O\n0.363510 0.248981 0.733931 O\n0.476021 0.508912 0.006357 O\n0.502493 0.010840 0.009490 O\n0.633436 0.542468 0.742260 O\n0.882672 0.470905 0.274592 O\n0.417639 0.072690 0.325640 O\n0.114360 0.944355 0.693059 O\n0.995835 0.262721 0.990478 O\n0.018275 0.751139 0.027003 O\n0.899499 0.073300 0.319846 O\n0.603369 0.941875 0.701281 O\n0.103427 0.561181 0.688042 O\n0.400608 0.458366 0.322382 O\n",
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],
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"formula_full": "Sr2 Mg1 V2 Si4 O14",
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{
"id": "mp-1233096",
"created_at": "2022-09-04T14:42:14.382957Z",
"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.223630 0.000000 -2.034521\n0.000000 7.326786 0.000000\n-0.266044 0.000000 7.972618\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.186375 0.750000 0.362898 Sr\n0.776969 0.250000 0.614505 Sr\n0.672577 0.750000 0.950151 Mg\n0.923212 0.750000 0.751010 V\n0.098837 0.250000 0.217598 V\n0.378562 0.469268 0.778932 Si\n0.598479 0.523742 0.222909 Si\n0.598479 0.976258 0.222909 Si\n0.378562 0.030732 0.778932 Si\n0.646455 0.750000 0.281253 O\n0.410865 0.250000 0.757977 O\n0.473824 0.531520 0.997648 O\n0.473824 0.968480 0.997648 O\n0.590908 0.566733 0.719367 O\n0.887274 0.435461 0.287688 O\n0.408360 0.064259 0.311046 O\n0.081973 0.973959 0.668555 O\n0.000755 0.250000 0.994885 O\n0.032696 0.750000 0.039098 O\n0.887274 0.064539 0.287688 O\n0.590908 0.933267 0.719367 O\n0.081973 0.526041 0.668555 O\n0.408360 0.435741 0.311046 O\n",
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"formula_full": "Sr2 Mg1 V2 Si4 O14",
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{
"id": "mp-1233213",
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"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.210629 0.000000 -1.892848\n-0.071881 7.284862 -0.197873\n-0.086127 -0.214170 7.881241\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.196859 0.769828 0.388020 Sr\n0.808839 0.230172 0.611980 Sr\n0.126775 0.500000 0.000000 Mg\n0.873374 0.764768 0.771295 V\n0.102079 0.235232 0.228705 V\n0.406334 0.469727 0.778032 Si\n0.628301 0.530273 0.221968 Si\n0.605717 0.975550 0.216611 Si\n0.389107 0.024450 0.783389 Si\n0.643690 0.755722 0.273788 O\n0.369902 0.244278 0.726212 O\n0.528636 0.500000 0.000000 O\n0.500939 0.000000 0.000000 O\n0.587961 0.555889 0.680218 O\n0.907742 0.444111 0.319782 O\n0.405526 0.062161 0.308601 O\n0.096925 0.937839 0.691399 O\n0.984780 0.256185 0.980972 O\n0.003809 0.743815 0.019028 O\n0.895209 0.060096 0.316544 O\n0.578665 0.939904 0.683456 O\n0.112263 0.539973 0.734443 O\n0.377820 0.460027 0.265557 O\n",
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{
"id": "mp-1233416",
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"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.192104 0.000000 -1.830681\n0.000000 7.163972 0.000000\n0.003066 0.000000 7.858690\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.204384 0.750000 0.420377 Sr\n0.812875 0.250000 0.609451 Sr\n0.205499 0.250000 0.365853 Mg\n0.898630 0.750000 0.805279 V\n0.844398 0.250000 0.039682 V\n0.389981 0.469244 0.798350 Si\n0.618413 0.521025 0.236772 Si\n0.618413 0.978975 0.236772 Si\n0.389981 0.030756 0.798350 Si\n0.639046 0.750000 0.250049 O\n0.361804 0.250000 0.699986 O\n0.522356 0.453862 0.021237 O\n0.522356 0.046138 0.021237 O\n0.609259 0.563315 0.726950 O\n0.908854 0.437877 0.323147 O\n0.434005 0.044727 0.347033 O\n0.110902 0.932931 0.711887 O\n0.062299 0.250000 0.917827 O\n0.021020 0.750000 0.027414 O\n0.908854 0.062122 0.323147 O\n0.609259 0.936685 0.726950 O\n0.110902 0.567069 0.711887 O\n0.434005 0.455273 0.347033 O\n",
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"formula_full": "Sr2 Mg1 V2 Si4 O14",
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{
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"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.269777 0.000000 -1.914334\n0.000000 7.289765 0.000000\n0.274316 0.000000 8.965622\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.121252 0.750000 0.242504 Sr\n0.860458 0.250000 0.720916 Sr\n0.320721 0.750000 0.641441 Mg\n0.891810 0.750000 0.783620 V\n0.101034 0.250000 0.202069 V\n0.413773 0.468690 0.827546 Si\n0.602270 0.522761 0.204541 Si\n0.602270 0.977239 0.204541 Si\n0.413773 0.031310 0.827546 Si\n0.621318 0.750000 0.242635 O\n0.389540 0.250000 0.779080 O\n0.505188 0.506425 0.010375 O\n0.505188 0.993575 0.010375 O\n0.591940 0.559032 0.728508 O\n0.888157 0.449865 0.272452 O\n0.384295 0.050135 0.272452 O\n0.136568 0.940968 0.728508 O\n0.993776 0.250000 0.987554 O\n0.993208 0.750000 0.986416 O\n0.888157 0.050135 0.272452 O\n0.591940 0.940968 0.728508 O\n0.136568 0.559032 0.728508 O\n0.384295 0.449865 0.272452 O\n",
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"formula_full": "Sr2 Mg1 V2 Si4 O14",
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"spacegroup": 38
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{
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"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.182144 -0.147441 -1.906708\n0.107475 7.365849 0.904723\n-0.003136 1.002897 8.070655\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.191860 0.686683 0.364623 Sr\n0.848557 0.328594 0.701402 Sr\n0.729413 0.072471 0.452384 Mg\n0.950401 0.751565 0.816611 V\n0.115757 0.198501 0.239595 V\n0.414949 0.503967 0.803323 Si\n0.594236 0.465023 0.231065 Si\n0.607057 0.908477 0.174378 Si\n0.365821 0.071311 0.747888 Si\n0.648174 0.679088 0.262699 O\n0.362483 0.296275 0.751509 O\n0.506453 0.476379 0.018446 O\n0.512070 0.952806 0.956379 O\n0.618085 0.609442 0.709382 O\n0.856097 0.332866 0.348609 O\n0.421250 0.990407 0.261232 O\n0.060892 0.009928 0.682951 O\n0.978847 0.280136 0.003490 O\n0.033653 0.738043 0.044312 O\n0.894025 0.975842 0.287698 O\n0.527936 0.055265 0.620942 O\n0.131731 0.609698 0.700514 O\n0.380253 0.386864 0.324733 O\n",
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"formula_full": "Sr2 Mg1 V2 Si4 O14",
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},
{
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"structure_string": "Mg6 Ti1 Si1 O8\n1.0\n8.748827 -0.000000 0.000000\n0.000000 4.314327 0.000000\n0.000000 0.000000 4.314327\nMg Ti Si O\n6 1 1 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249419 -0.000000 0.500000 Mg\n0.750581 0.000000 0.500000 Mg\n0.249419 0.500000 -0.000000 Mg\n0.750581 0.500000 0.000000 Mg\n-0.000000 -0.000000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Si\n0.246377 0.000000 -0.000000 O\n0.753623 -0.000000 0.000000 O\n0.250622 0.500000 0.500000 O\n0.749378 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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"formula_full": "Mg6 Ti1 Si1 O8",
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"updated_at": "2021-11-28T01:34:38.082000Z",
"spacegroup": 123
},
{
"id": "mp-1154515",
"created_at": "2022-09-04T14:40:07.024198Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.597196 4.969247 0.000000\n-4.597196 4.969247 0.000000\n0.000000 1.501901 5.000099\nMg Ti Si O\n2 2 4 12\ndirect\n0.742496 0.257504 0.750000 Mg\n0.257504 0.742496 0.250000 Mg\n0.917778 0.082222 0.250000 Ti\n0.082222 0.917778 0.750000 Ti\n0.392410 0.208263 0.246007 Si\n0.791737 0.607590 0.253993 Si\n0.208263 0.392410 0.746007 Si\n0.607590 0.791737 0.753993 Si\n0.382646 0.317644 0.504877 O\n0.682356 0.617354 0.995123 O\n0.617354 0.682356 0.495123 O\n0.317644 0.382646 0.004877 O\n0.622684 0.143555 0.129869 O\n0.856445 0.377316 0.370131 O\n0.377316 0.856445 0.870131 O\n0.143555 0.622684 0.629869 O\n0.024536 0.230450 0.841135 O\n0.769550 0.975464 0.658865 O\n0.230450 0.024536 0.341135 O\n0.975464 0.769550 0.158865 O\n",
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"formula_full": "Mg2 Ti2 Si4 O12",
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{
"id": "mp-1041491",
"created_at": "2022-09-04T14:44:12.176403Z",
"structure_string": "Mg8 Ti8 Si16 O48\n1.0\n5.312240 0.000000 0.000000\n0.000000 9.044131 0.000000\n0.000000 0.000000 18.547664\nMg Ti Si O\n8 8 16 48\ndirect\n0.622985 0.154581 0.375067 Mg\n0.377015 0.845419 0.624933 Mg\n0.622985 0.654581 0.124933 Mg\n0.122985 0.845419 0.124933 Mg\n0.877015 0.154581 0.875067 Mg\n0.377015 0.345419 0.875067 Mg\n0.122985 0.345419 0.375067 Mg\n0.877015 0.654581 0.624933 Mg\n0.365584 0.978021 0.878565 Ti\n0.634416 0.021979 0.121435 Ti\n0.865584 0.021979 0.621435 Ti\n0.134416 0.978021 0.378565 Ti\n0.365584 0.478021 0.621435 Ti\n0.634416 0.521979 0.378565 Ti\n0.865584 0.521979 0.878565 Ti\n0.134416 0.478021 0.121435 Ti\n0.553305 0.659821 0.770202 Si\n0.702431 0.836440 0.474893 Si\n0.797569 0.836440 0.974893 Si\n0.946695 0.159821 0.229798 Si\n0.053305 0.340179 0.729798 Si\n0.446695 0.840179 0.270202 Si\n0.202431 0.663560 0.474893 Si\n0.702431 0.336440 0.025107 Si\n0.797569 0.336440 0.525107 Si\n0.946695 0.659821 0.270202 Si\n0.446695 0.340179 0.229798 Si\n0.553305 0.159821 0.729798 Si\n0.297569 0.163560 0.525107 Si\n0.053305 0.840179 0.770202 Si\n0.297569 0.663560 0.974893 Si\n0.202431 0.163560 0.025107 Si\n0.951872 0.500600 0.309515 O\n0.287191 0.013218 0.064850 O\n0.048128 0.499400 0.690485 O\n0.708227 0.335906 0.936409 O\n0.208227 0.164094 0.936409 O\n0.905226 0.203118 0.051647 O\n0.953288 0.663568 0.182236 O\n0.046712 0.836432 0.682236 O\n0.708227 0.835906 0.563591 O\n0.953288 0.163568 0.317764 O\n0.451872 0.499400 0.190485 O\n0.791773 0.335906 0.436409 O\n0.712809 0.986782 0.935150 O\n0.453288 0.836432 0.182236 O\n0.548128 0.000600 0.690485 O\n0.287191 0.513218 0.435150 O\n0.451872 0.999400 0.309515 O\n0.171406 0.772180 0.301210 O\n0.328594 0.772180 0.801210 O\n0.594774 0.703118 0.948353 O\n0.791773 0.835906 0.063591 O\n0.546712 0.663568 0.682236 O\n0.787191 0.486782 0.064850 O\n0.171406 0.272180 0.198790 O\n0.291773 0.164094 0.436409 O\n0.546712 0.163568 0.817764 O\n0.712809 0.486782 0.564850 O\n0.208227 0.664094 0.563591 O\n0.212809 0.513218 0.935150 O\n0.671406 0.727820 0.301210 O\n0.048128 0.999400 0.809515 O\n0.828594 0.727820 0.801210 O\n0.828594 0.227820 0.698790 O\n0.787191 0.986782 0.435150 O\n0.291773 0.664094 0.063591 O\n0.212809 0.013218 0.564850 O\n0.328594 0.272180 0.698790 O\n0.094774 0.796882 0.948353 O\n0.405226 0.796882 0.448353 O\n0.671406 0.227820 0.198790 O\n0.405226 0.296882 0.051647 O\n0.594774 0.203118 0.551647 O\n0.094774 0.296882 0.551647 O\n0.453288 0.336432 0.317764 O\n0.548128 0.500600 0.809515 O\n0.905226 0.703118 0.448353 O\n0.046712 0.336432 0.817764 O\n0.951872 0.000600 0.190485 O\n",
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"formula_full": "Mg8 Ti8 Si16 O48",
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"updated_at": "2021-11-28T01:36:32.945000Z",
"spacegroup": 61
}
]
}