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{
"id": "jvasp-9906",
"created_at": "2022-09-04T14:38:29.111129Z",
"updated_at": "2022-09-04T14:38:29.111152Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n6.346982 0.009870 -0.001976\n3.164364 5.813816 -0.000587\n3.171896 1.990586 5.456599\nMg Sn O\n2 4 8\ndirect\n0.144678 0.605209 0.105019 Mg\n0.854900 0.394802 0.894987 Mg\n0.510023 0.000007 0.000001 Sn\n0.500903 0.974028 0.524958 Sn\n0.999900 0.025992 0.475046 Sn\n0.488791 0.500003 0.500000 Sn\n0.723068 0.257128 0.756679 O\n0.262164 0.257009 0.757608 O\n0.703320 0.760998 0.805800 O\n0.297797 0.694026 0.738857 O\n0.270117 0.239025 0.194170 O\n0.736873 0.742868 0.243311 O\n0.730657 0.305936 0.261179 O\n0.276804 0.742978 0.242379 O\n",
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"elements": [
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],
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"density": 5.376211940026721,
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"volume": 201.21048359259314,
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"formula_full": "Mg2 Sn4 O8",
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"formula_anonymous": "AB2C4",
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{
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"structure_string": "Mg2 Sn2 O6\n1.0\n4.689014 -0.000167 3.133204\n1.674615 4.379785 3.133204\n-0.000243 -0.000167 5.639488\nMg Sn O\n2 2 6\ndirect\n0.356431 0.356431 0.356431 Mg\n0.643569 0.643569 0.643568 Mg\n0.146601 0.146601 0.146601 Sn\n0.853399 0.853399 0.853397 Sn\n0.448900 0.754263 0.048898 O\n0.754262 0.048898 0.448900 O\n0.951101 0.551100 0.245737 O\n0.048900 0.448900 0.754262 O\n0.245739 0.951102 0.551098 O\n0.551101 0.245737 0.951101 O\n",
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],
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"volume": 115.82393903775375,
"volume_molar": 6.975080642630121,
"formula_full": "Mg2 Sn2 O6",
"formula_reduced": "MgSnO3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-30656",
"created_at": "2022-09-04T14:37:32.454314Z",
"updated_at": "2022-09-04T14:37:32.454339Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.173911 -0.343345 0.931562\n0.601245 9.200028 1.405814\n0.618574 0.892043 8.799118\nMg Sn O\n4 4 8\ndirect\n0.401679 0.006386 0.350956 Mg\n0.594329 0.973531 0.677258 Mg\n0.203420 0.778654 0.122844 Mg\n0.792632 0.201271 0.905355 Mg\n0.350425 0.291236 0.579670 Sn\n0.026293 0.314707 0.205305 Sn\n0.969726 0.665203 0.822892 Sn\n0.645635 0.688684 0.448530 Sn\n0.211851 0.843635 0.587913 O\n0.383896 0.305383 0.810874 O\n0.612156 0.674541 0.217327 O\n0.784164 0.136279 0.440291 O\n0.026003 0.080828 0.741464 O\n0.578055 0.186302 0.144207 O\n0.970028 0.899092 0.286742 O\n0.417964 0.793606 0.883994 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-O-Sn",
"density": 4.656008842279846,
"density_atomic": 0.06408441080121362,
"volume": 249.6707046216144,
"volume_molar": 9.397200792998403,
"formula_full": "Mg4 Sn4 O8",
"formula_reduced": "MgSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5957619375,
"spacegroup": 2
},
{
"id": "jvasp-9651",
"created_at": "2022-09-04T14:37:27.770675Z",
"updated_at": "2022-09-04T14:37:27.770695Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n3.192731 0.010641 0.029719\n-0.015786 5.154502 -0.172287\n-0.116000 -0.456184 12.552460\nMg Sn O\n2 4 10\ndirect\n0.250614 0.860541 0.734619 Mg\n0.750607 0.140335 0.265594 Mg\n0.750502 0.404680 0.891485 Sn\n0.250562 0.596193 0.108733 Sn\n0.250652 0.618375 0.399425 Sn\n0.750657 0.382509 0.600793 Sn\n0.250613 0.383444 0.252117 O\n0.750599 0.617438 0.748102 O\n0.250532 0.654274 0.942524 O\n0.750528 0.346596 0.057695 O\n0.250661 0.642183 0.568858 O\n0.750628 0.358704 0.431361 O\n0.250650 0.146464 0.628255 O\n-0.249326 0.854422 0.371962 O\n0.750591 0.836085 0.155122 O\n0.250471 0.164786 0.845095 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.499956757054342,
"density_atomic": 0.07754025500574259,
"volume": 206.34443359536345,
"volume_molar": 7.766470150960948,
"formula_full": "Mg2 Sn4 O10",
"formula_reduced": "MgSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.5042199937499998,
"spacegroup": 11
},
{
"id": "jvasp-10023",
"created_at": "2022-09-04T14:37:27.382261Z",
"updated_at": "2022-09-04T14:37:27.382285Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n6.492137 -0.303622 0.014617\n2.983124 5.774166 0.014617\n3.170354 1.830405 5.177167\nMg Sn O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Mg\n0.624999 0.125001 0.625001 Mg\n0.011971 0.011973 0.988028 Sn\n0.238027 0.238028 0.261973 Sn\n0.624999 0.625000 0.125001 Sn\n0.624999 0.625001 0.625001 Sn\n0.390227 0.390229 0.382785 O\n0.411877 0.806786 0.390669 O\n0.390227 0.390229 0.836761 O\n0.806785 0.411878 0.390669 O\n0.443213 0.838123 0.859333 O\n0.838121 0.443215 0.859333 O\n0.859770 0.859772 0.413241 O\n0.859770 0.859773 0.867217 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.452687996725463,
"density_atomic": 0.0705686318775351,
"volume": 198.38842878937513,
"volume_molar": 8.533736023748952,
"formula_full": "Mg2 Sn4 O8",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.293668064285714,
"spacegroup": 74
},
{
"id": "jvasp-30638",
"created_at": "2022-09-04T14:37:28.855334Z",
"updated_at": "2022-09-04T14:37:28.855355Z",
"structure_string": "Mg2 Sn3 O8\n1.0\n5.294272 0.296739 -1.102744\n-0.906675 5.388699 -2.902893\n0.327890 -0.323726 5.891264\nMg Sn O\n2 3 8\ndirect\n0.576609 0.704629 0.409258 Mg\n0.423392 0.295372 0.590744 Mg\n0.500000 0.999999 0.000001 Sn\n0.000001 0.742200 0.999998 Sn\n0.000000 0.257798 0.999998 Sn\n0.134968 0.394014 0.788030 O\n0.865031 0.605985 0.211971 O\n0.136004 0.893812 0.787623 O\n0.863996 0.106188 0.212376 O\n0.362566 0.352706 0.250430 O\n0.362567 0.897724 0.250430 O\n0.637433 0.102275 0.749570 O\n0.637433 0.647294 0.749571 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 5.32826774874952,
"density_atomic": 0.07830128724614915,
"volume": 166.02536761794218,
"volume_molar": 7.690985642507644,
"formula_full": "Mg2 Sn3 O8",
"formula_reduced": "Mg2Sn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.6190585538461535,
"spacegroup": 12
},
{
"id": "jvasp-46099",
"created_at": "2022-09-04T14:38:02.491789Z",
"updated_at": "2022-09-04T14:38:02.491820Z",
"structure_string": "Mg4 Sn4 O12\n1.0\n5.316359 -0.000000 0.000000\n0.000000 5.437297 0.000000\n0.000000 0.000000 7.816916\nMg Sn O\n4 4 12\ndirect\n0.998066 0.958152 0.750000 Mg\n0.501935 0.458152 0.750000 Mg\n0.498066 0.541848 0.250000 Mg\n0.001935 0.041848 0.250000 Mg\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.830162 0.824719 0.071954 O\n0.669838 0.324719 0.428046 O\n0.669838 0.324719 0.071954 O\n0.635294 0.088538 0.750000 O\n0.364706 0.911462 0.250000 O\n0.169838 0.175281 0.571955 O\n0.330162 0.675282 0.571955 O\n0.169838 0.175281 0.928046 O\n0.830162 0.824719 0.428046 O\n0.135294 0.411462 0.250000 O\n0.330162 0.675282 0.928046 O\n0.864707 0.588538 0.750000 O\n",
"nsites": 20,
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],
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"density": 5.614869513404082,
"density_atomic": 0.08851098921550271,
"volume": 225.9606425966483,
"volume_molar": 6.80383397968534,
"formula_full": "Mg4 Sn4 O12",
"formula_reduced": "MgSnO3",
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"spacegroup": 62
},
{
"id": "jvasp-9672",
"created_at": "2022-09-04T14:37:56.668922Z",
"updated_at": "2022-09-04T14:37:56.668949Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n5.819260 -0.000000 -3.055186\n-1.604011 5.593831 -3.055186\n-0.269003 -0.356981 6.557237\nMg Sn O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.753353 0.760089 0.506706 O\n0.753384 0.246648 0.993293 O\n0.239912 0.246648 0.993294 O\n0.246648 0.239911 0.493293 O\n0.246648 0.753383 0.493293 O\n0.246617 0.753352 0.006706 O\n0.753353 0.246617 0.506707 O\n0.760089 0.753352 0.006706 O\n",
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],
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"density": 5.388344228209676,
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"volume": 200.7574420887492,
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"formula_full": "Mg2 Sn4 O8",
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},
{
"id": "jvasp-118712",
"created_at": "2022-09-04T14:38:46.712607Z",
"updated_at": "2022-09-04T14:38:46.712639Z",
"structure_string": "Mg1 Sn1 O1\n1.0\n4.577787 0.000000 0.000000\n-2.288893 3.964480 0.000000\n0.000000 -0.000000 3.217934\nMg Sn O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 O\n",
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"volume": 58.4008200245653,
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"formula_full": "Mg1 Sn1 O1",
"formula_reduced": "MgSnO",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"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",
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"formula_full": "Mg2 Sn4 O8",
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"spacegroup": 2
},
{
"id": "jvasp-9556",
"created_at": "2022-09-04T14:37:08.067073Z",
"updated_at": "2022-09-04T14:37:08.067110Z",
"structure_string": "Mg4 Sn4 O10\n1.0\n3.944622 0.000000 0.000000\n0.000000 5.564451 -0.000000\n0.000000 -0.000000 10.474199\nMg Sn O\n4 4 10\ndirect\n0.500000 0.135130 0.892016 Mg\n0.500000 0.864869 0.107985 Mg\n0.500000 0.635130 0.607985 Mg\n0.500000 0.364870 0.392016 Mg\n0.000000 0.156156 0.611237 Sn\n0.000000 0.843843 0.388763 Sn\n0.000000 0.343844 0.111237 Sn\n0.000000 0.656156 0.888763 Sn\n0.500000 0.266650 0.596613 O\n0.000000 0.791141 0.703028 O\n0.500000 0.766650 0.903387 O\n0.500000 0.233350 0.096613 O\n0.000000 0.500000 0.500000 O\n0.000000 0.708859 0.203028 O\n0.000000 0.208859 0.296972 O\n0.000000 0.000000 0.000000 O\n0.000000 0.291141 0.796972 O\n0.500000 0.733349 0.403387 O\n",
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],
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"volume": 229.9050631713461,
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"formula_full": "Mg4 Sn4 O10",
"formula_reduced": "Mg2Sn2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 55
},
{
"id": "jvasp-9252",
"created_at": "2022-09-04T14:38:11.641024Z",
"updated_at": "2022-09-04T14:38:11.641055Z",
"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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],
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"volume": 249.6897705350582,
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"formula_full": "Mg4 Sn4 O8",
"formula_reduced": "MgSnO2",
"formula_anonymous": "ABC2",
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"spacegroup": 2
}
]
}