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{
"id": "jvasp-11559",
"created_at": "2022-09-04T14:37:19.543421Z",
"updated_at": "2022-09-04T14:37:19.543440Z",
"structure_string": "Mg2 Sn3 O8\n1.0\n5.294294 0.296991 -1.102283\n-0.906714 5.388935 -2.903020\n0.328428 -0.324082 5.890725\nMg Sn O\n2 3 8\ndirect\n0.576520 0.704607 0.409214 Mg\n0.423482 0.295395 0.590789 Mg\n0.500000 1.000000 0.000001 Sn\n0.000001 0.742208 1.000001 Sn\n0.000001 0.257792 1.000000 Sn\n0.135019 0.394026 0.788053 O\n0.864981 0.605974 0.211949 O\n0.136048 0.893794 0.787587 O\n0.863953 0.106207 0.212414 O\n0.362528 0.352722 0.250449 O\n0.362528 0.897728 0.250449 O\n0.637471 0.102273 0.749553 O\n0.637472 0.647279 0.749553 O\n",
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"formula_full": "Mg2 Sn3 O8",
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{
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"structure_string": "Mg4 Sn4 O8\n1.0\n3.323118 0.001056 -0.125259\n0.350445 8.353781 -0.233796\n0.320090 2.749427 8.909850\nMg Sn O\n4 4 8\ndirect\n0.247237 0.350941 0.006380 Mg\n0.728523 0.677267 0.973535 Mg\n0.673808 0.123064 0.778702 Mg\n0.301967 0.905133 0.201222 Mg\n0.069844 0.579325 0.291238 Sn\n0.768230 0.204920 0.314712 Sn\n0.207537 0.823286 0.665200 Sn\n0.905914 0.448877 0.688679 Sn\n0.200181 0.588104 0.843632 O\n0.805117 0.810497 0.305328 O\n0.170655 0.217704 0.674595 O\n0.775582 0.440104 0.136281 O\n0.232615 0.741375 0.080801 O\n0.277652 0.143982 0.186340 O\n0.743144 0.286830 0.899116 O\n0.698114 0.884221 0.793572 O\n",
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"formula_full": "Mg4 Sn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-10166",
"created_at": "2022-09-04T14:37:16.626182Z",
"updated_at": "2022-09-04T14:37:16.626217Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n3.199064 0.011789 0.087853\n-1.575329 6.605857 -0.126846\n-1.350047 -1.698483 9.174733\nMg Sn O\n2 4 8\ndirect\n0.541677 0.178294 0.779768 Mg\n0.493681 0.854772 0.242118 Mg\n0.285227 0.629766 0.886878 Sn\n0.193025 0.238373 0.442155 Sn\n0.842345 0.794691 0.579732 Sn\n0.750198 0.403296 0.135006 Sn\n0.360147 0.548182 0.249627 O\n0.362011 0.873891 0.788202 O\n0.673375 0.159170 0.233679 O\n0.675271 0.484882 0.772257 O\n0.876352 0.707413 0.050208 O\n0.957254 0.118915 0.642661 O\n0.159063 0.325652 0.971676 O\n0.078112 0.914151 0.379225 O\n",
"nsites": 14,
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"elements": [
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"density": 5.564921352782878,
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"volume": 194.3873301656085,
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"formula_full": "Mg2 Sn4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 2
},
{
"id": "jvasp-118711",
"created_at": "2022-09-04T14:38:53.862275Z",
"updated_at": "2022-09-04T14:38:53.862305Z",
"structure_string": "Mg1 Sn1 O1\n1.0\n2.959416 1.425218 0.000000\n0.413897 6.551588 0.000000\n0.000000 0.000000 3.319157\nMg Sn O\n1 1 1\ndirect\n-0.025589 -0.118665 0.000000 Mg\n-0.061812 0.421160 0.000000 Sn\n0.310627 0.048536 0.000000 O\n",
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"volume": 62.39676904066877,
"volume_molar": 12.525404204403918,
"formula_full": "Mg1 Sn1 O1",
"formula_reduced": "MgSnO",
"formula_anonymous": "ABC",
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"spacegroup": 25
},
{
"id": "jvasp-30201",
"created_at": "2022-09-04T14:36:46.729205Z",
"updated_at": "2022-09-04T14:36:46.729218Z",
"structure_string": "Mg4 Sn2 O8\n1.0\n5.185709 -0.000000 0.000000\n0.000000 9.916012 0.000000\n0.000000 0.000000 3.099973\nMg Sn O\n4 2 8\ndirect\n0.020508 0.288489 0.499999 Mg\n0.479492 0.788489 0.499999 Mg\n0.520508 0.211511 0.499999 Mg\n0.979492 0.711511 0.499999 Mg\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.220195 0.823746 0.000000 O\n0.210996 0.089345 0.499999 O\n0.289004 0.589345 0.499999 O\n0.279805 0.323746 0.000000 O\n0.720195 0.676253 0.000000 O\n0.710996 0.410655 0.499999 O\n0.789004 0.910655 0.499999 O\n0.779806 0.176253 0.000000 O\n",
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"volume": 159.40542490285264,
"volume_molar": 6.856870761947056,
"formula_full": "Mg4 Sn2 O8",
"formula_reduced": "Mg2SnO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 55
},
{
"id": "jvasp-19166",
"created_at": "2022-09-04T14:38:36.581548Z",
"updated_at": "2022-09-04T14:38:36.581577Z",
"structure_string": "Mg4 Ta4 Sn2 O16\n1.0\n-5.293614 0.001119 0.011148\n-0.000528 -6.029496 -0.001957\n0.328042 3.015201 10.409364\nMg Ta Sn O\n4 4 2 16\ndirect\n0.243480 0.870220 0.459740 Mg\n0.255517 0.410617 0.540244 Mg\n0.755563 0.128940 0.540204 Mg\n0.743519 0.588532 0.459697 Mg\n0.269018 0.042271 0.745441 Ta\n0.230009 0.296260 0.254564 Ta\n0.730030 0.956865 0.254503 Ta\n0.769045 0.702872 0.745382 Ta\n0.749517 0.305905 0.000525 Sn\n0.249543 0.693192 0.999411 Sn\n0.119803 0.157330 0.607010 O\n0.379257 0.550121 0.392948 O\n0.879237 0.841823 0.392941 O\n0.619783 0.449038 0.606989 O\n0.947291 0.301449 0.383170 O\n0.551835 0.918618 0.616898 O\n0.884498 0.547025 0.860215 O\n0.037280 0.999112 0.168334 O\n0.114549 0.452064 0.139710 O\n0.384167 0.313230 0.860286 O\n0.461561 0.831092 0.831609 O\n0.051768 0.697710 0.616780 O\n0.537513 0.168060 0.168343 O\n0.961793 0.000009 0.831627 O\n0.614872 0.685912 0.139659 O\n0.447210 0.080540 0.383048 O\n",
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"elements": [
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],
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"density": 6.569592587586527,
"density_atomic": 0.07825784692568435,
"volume": 332.2350540092198,
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"formula_full": "Mg4 Ta4 Sn2 O16",
"formula_reduced": "Mg2Ta2SnO8",
"formula_anonymous": "AB2C2D8",
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"spacegroup": 15
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{
"id": "jvasp-19405",
"created_at": "2022-09-04T14:37:02.546642Z",
"updated_at": "2022-09-04T14:37:02.546662Z",
"structure_string": "Mg4 Ta2 Sn2 O12\n1.0\n0.000000 5.438320 -0.002722\n7.805217 0.000000 0.000000\n0.000000 -0.189528 -5.513233\nMg Ta Sn O\n4 2 2 12\ndirect\n0.013206 0.750000 0.964758 Mg\n0.488310 0.750000 0.462329 Mg\n0.511690 0.250000 0.537670 Mg\n0.986794 0.250000 0.035242 Mg\n-0.000000 0.000000 0.500000 Ta\n-0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 -0.000000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.859503 0.930581 0.179949 O\n0.369224 0.750000 0.098186 O\n0.140496 0.069419 0.820050 O\n0.687664 0.929089 0.649752 O\n0.312336 0.429089 0.350248 O\n0.687664 0.570912 0.649752 O\n0.312336 0.070911 0.350248 O\n0.859503 0.569420 0.179949 O\n0.630775 0.250000 0.901813 O\n0.140496 0.430581 0.820050 O\n0.868804 0.250000 0.417299 O\n0.131195 0.750000 0.582700 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Mg4 Ta2 Sn2 O12",
"formula_reduced": "Mg2TaSnO6",
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"spacegroup": 11
},
{
"id": "jvasp-105396",
"created_at": "2022-09-04T14:37:02.261354Z",
"updated_at": "2022-09-04T14:37:02.261371Z",
"structure_string": "Sr1 Mg3 O4\n1.0\n3.280579 -0.000000 0.000000\n0.000000 3.280579 0.000000\n-0.000000 -0.000000 8.914675\nSr Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.727455 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.272544 Mg\n0.000000 0.000000 0.275543 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.724456 O\n0.500000 0.500000 0.500000 O\n",
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"volume": 95.94150258373656,
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"formula_anonymous": "AB3C4",
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"spacegroup": 123
},
{
"id": "jvasp-102985",
"created_at": "2022-09-04T14:37:00.007022Z",
"updated_at": "2022-09-04T14:37:00.007044Z",
"structure_string": "Sr1 Mg1 O3\n1.0\n3.998820 0.000000 0.000000\n-0.000000 3.998820 0.000000\n-0.000000 -0.000000 3.998820\nSr Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Sr1 Mg1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-118717",
"created_at": "2022-09-04T14:38:46.830013Z",
"updated_at": "2022-09-04T14:38:46.830040Z",
"structure_string": "Sr1 Mg1 O1\n1.0\n4.617072 -0.000000 0.000000\n-2.308536 3.998502 -0.000000\n-0.000000 0.000000 3.555588\nSr Mg O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 O\n",
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"spacegroup": 187
},
{
"id": "jvasp-118718",
"created_at": "2022-09-04T14:38:53.563354Z",
"updated_at": "2022-09-04T14:38:53.563382Z",
"structure_string": "Sr1 Mg1 O1\n1.0\n4.040691 0.000000 0.000000\n0.000000 4.040691 -0.000000\n-0.000000 0.000000 7.481078\nSr Mg O\n1 1 1\ndirect\n0.000000 0.000000 0.081159 Sr\n0.000000 0.000000 0.557715 Mg\n0.000000 0.000000 0.801103 O\n",
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},
{
"id": "jvasp-118716",
"created_at": "2022-09-04T14:38:53.523211Z",
"updated_at": "2022-09-04T14:38:53.523236Z",
"structure_string": "Sr1 Mg1 O1\n1.0\n2.699991 1.768918 0.000000\n0.475148 7.766812 0.000000\n0.000000 0.000000 3.841496\nSr Mg O\n1 1 1\ndirect\n0.199082 0.380207 0.000000 Sr\n-0.091873 -0.104957 0.000000 Mg\n0.113806 0.096431 0.000000 O\n",
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"spacegroup": 6
}
]
}