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{
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{
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"formula_full": "Si2 Sn12 O16",
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},
{
"id": "mp-1043924",
"created_at": "2022-09-04T14:39:29.896155Z",
"structure_string": "Ca2 La2 V2 Fe2 O12\n1.0\n-0.000012 5.525947 0.008972\n-0.000003 0.013235 7.703762\n5.593982 -0.000013 -0.000002\nCa La V Fe O\n2 2 2 2 12\ndirect\n0.513198 0.250354 0.540372 Ca\n0.013211 0.750348 0.959623 Ca\n0.988828 0.249043 0.031208 La\n0.488823 0.749033 0.468803 La\n0.999812 0.498750 0.500543 V\n0.499814 0.998755 0.999460 V\n0.998978 0.000360 0.500003 Fe\n0.498982 0.500360 0.999990 Fe\n0.583048 0.759995 0.014632 O\n0.083048 0.259997 0.485371 O\n0.215758 0.956660 0.211397 O\n0.715752 0.456657 0.288608 O\n0.211824 0.545183 0.216414 O\n0.711828 0.045181 0.283584 O\n0.924935 0.740513 0.518929 O\n0.424939 0.240514 0.981067 O\n0.280452 0.541384 0.716740 O\n0.780454 0.041383 0.783260 O\n0.283160 0.957764 0.719478 O\n0.783161 0.457762 0.780518 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Ca2 La2 V2 Fe2 O12",
"formula_reduced": "CaLaVFeO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 7
},
{
"id": "mp-1022063",
"created_at": "2022-09-04T14:39:29.894384Z",
"structure_string": "Mg12 Cu2 Sb2\n1.0\n4.974301 0.000000 0.000000\n0.000000 6.149345 0.000000\n0.000000 0.000000 11.282292\nMg Cu Sb\n12 2 2\ndirect\n0.000000 0.246232 0.077081 Mg\n0.000000 0.753768 0.077081 Mg\n0.000000 0.000000 0.328611 Mg\n0.500000 0.738566 0.405921 Mg\n0.500000 0.261434 0.405921 Mg\n0.500000 0.000000 0.165934 Mg\n0.000000 0.746232 0.577081 Mg\n0.000000 0.253768 0.577081 Mg\n0.000000 0.500000 0.828611 Mg\n0.500000 0.238566 0.905921 Mg\n0.500000 0.761434 0.905921 Mg\n0.500000 0.500000 0.665934 Mg\n0.000000 0.500000 0.380385 Cu\n0.000000 0.000000 0.880385 Cu\n0.500000 0.500000 0.159067 Sb\n0.500000 0.000000 0.659067 Sb\n",
"nsites": 16,
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"Cu",
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"density": 3.186597678085815,
"density_atomic": 0.04636195344403182,
"volume": 345.1105661308083,
"volume_molar": 12.989402543768852,
"formula_full": "Mg12 Cu2 Sb2",
"formula_reduced": "Mg6CuSb",
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"updated_at": "2021-11-28T01:34:42.975000Z",
"spacegroup": 38
},
{
"id": "mp-1093825",
"created_at": "2022-09-04T14:39:29.891096Z",
"structure_string": "Sr1 Mg1 Pb2\n1.0\n-6.038349 6.800592 9.616726\n6.038349 -6.800592 9.616726\n6.038349 6.800592 -9.616726\nSr Mg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.233524 0.233524 Pb\n0.000000 0.766476 0.766476 Pb\n",
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"density": 0.5532875938500602,
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"volume": 1579.6183285922234,
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"formula_full": "Sr1 Mg1 Pb2",
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"spacegroup": 71
},
{
"id": "mp-662702",
"created_at": "2022-09-04T14:39:29.890690Z",
"structure_string": "Na2 I2 O8\n1.0\n5.496691 0.000000 0.000000\n-0.047246 5.524493 0.000000\n-2.707392 -2.754534 6.178644\nNa I O\n2 2 8\ndirect\n0.870589 0.112115 0.737376 Na\n0.116726 0.868824 0.235378 Na\n0.326690 0.574151 0.652749 I\n0.580083 0.331522 0.154073 I\n0.512616 0.734812 0.536876 O\n0.067240 0.739007 0.508742 O\n0.754061 0.443853 0.011497 O\n0.267785 0.072948 0.010703 O\n0.031564 0.293916 0.544703 O\n0.303607 0.515792 0.043637 O\n0.440107 0.259885 0.513887 O\n0.747657 0.036913 0.042655 O\n",
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"volume": 187.62336640708554,
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"formula_full": "Na2 I2 O8",
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{
"id": "mp-1225832",
"created_at": "2022-09-04T14:39:29.874386Z",
"structure_string": "Cu2 Sn1 S3\n1.0\n-1.946844 2.721791 5.786016\n1.946844 -2.721791 5.786016\n1.946844 2.721791 -5.786016\nCu Sn S\n2 1 3\ndirect\n0.162817 0.169684 0.993133 Cu\n0.823449 0.830316 0.993133 Cu\n0.519271 0.500000 0.019271 Sn\n0.939962 0.676751 0.263211 S\n0.586459 0.323249 0.263211 S\n0.218038 0.000000 0.218038 S\n",
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"formula_full": "Cu2 Sn1 S3",
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{
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"structure_string": "Dy1 Er1 Al2\n1.0\n0.000000 3.577886 3.577886\n3.577886 0.000000 3.577886\n3.577886 3.577886 0.000000\nDy Er Al\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Er\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n",
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{
"id": "mp-1228916",
"created_at": "2022-09-04T14:39:29.872306Z",
"structure_string": "Ca8 Al2 Si2 H48 S2 O32 F26\n1.0\n8.456619 8.457117 0.000000\n-8.456619 8.457117 0.000000\n0.000000 8.440778 8.457323\nCa Al Si H S O F\n8 2 2 48 2 32 26\ndirect\n0.205049 0.794366 0.079625 Ca\n0.205634 0.794951 0.420375 Ca\n0.201879 0.125327 0.085800 Ca\n0.874673 0.798121 0.414200 Ca\n0.794951 0.205634 0.920375 Ca\n0.794366 0.205049 0.579625 Ca\n0.798121 0.874673 0.914200 Ca\n0.125327 0.201879 0.585800 Ca\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.489959 0.757762 0.960963 H\n0.242238 0.510041 0.539037 H\n0.049750 0.279235 0.960488 H\n0.720765 0.950250 0.539512 H\n0.490136 0.281381 0.767718 H\n0.239776 0.950319 0.770707 H\n0.049681 0.760224 0.729293 H\n0.718619 0.509864 0.732282 H\n0.490447 0.950911 0.291085 H\n0.239940 0.278891 0.210262 H\n0.049089 0.509553 0.208915 H\n0.721109 0.760060 0.289738 H\n0.510041 0.242238 0.039037 H\n0.757762 0.489959 0.460963 H\n0.950250 0.720765 0.039512 H\n0.279235 0.049750 0.460488 H\n0.509864 0.718619 0.232282 H\n0.760224 0.049681 0.229293 H\n0.950319 0.239776 0.270707 H\n0.281381 0.490136 0.267718 H\n0.509553 0.049089 0.708915 H\n0.760060 0.721109 0.789738 H\n0.950911 0.490447 0.791085 H\n0.278891 0.239940 0.710262 H\n0.415984 0.666242 0.942216 H\n0.333758 0.584016 0.557784 H\n0.141638 0.392712 0.940825 H\n0.607288 0.858362 0.559175 H\n0.416494 0.392110 0.749842 H\n0.333623 0.858508 0.749340 H\n0.141492 0.666377 0.750660 H\n0.607890 0.583506 0.750158 H\n0.416534 0.857951 0.475891 H\n0.333425 0.391788 0.025190 H\n0.142049 0.583466 0.024109 H\n0.608212 0.666575 0.474810 H\n0.584016 0.333758 0.057784 H\n0.666242 0.415984 0.442216 H\n0.858362 0.607288 0.059175 H\n0.392712 0.141638 0.440825 H\n0.583506 0.607890 0.250158 H\n0.666377 0.141492 0.250660 H\n0.858508 0.333623 0.249340 H\n0.392110 0.416494 0.249842 H\n0.583466 0.142049 0.524109 H\n0.666575 0.608212 0.974810 H\n0.857951 0.416534 0.975891 H\n0.391788 0.333425 0.525190 H\n0.374935 0.625065 0.750000 S\n0.625065 0.374935 0.250000 S\n0.399415 0.709712 0.998413 O\n0.290288 0.600585 0.501587 O\n0.101692 0.293207 0.997779 O\n0.706793 0.898308 0.502221 O\n0.400133 0.292664 0.810106 O\n0.291477 0.898873 0.808688 O\n0.101127 0.708523 0.691312 O\n0.707336 0.599867 0.689894 O\n0.400449 0.897081 0.392436 O\n0.291706 0.292159 0.107265 O\n0.102919 0.599551 0.107564 O\n0.707841 0.708294 0.392735 O\n0.600585 0.290288 0.001587 O\n0.709712 0.399415 0.498413 O\n0.898308 0.706793 0.002221 O\n0.293207 0.101692 0.497779 O\n0.599867 0.707336 0.189894 O\n0.708523 0.101127 0.191312 O\n0.898873 0.291477 0.308688 O\n0.292664 0.400133 0.310106 O\n0.599551 0.102919 0.607564 O\n0.708294 0.707841 0.892735 O\n0.897081 0.400449 0.892436 O\n0.292159 0.291706 0.607265 O\n0.425694 0.573771 0.647844 O\n0.426229 0.574306 0.852156 O\n0.425794 0.778410 0.647629 O\n0.221590 0.574206 0.852371 O\n0.574306 0.426229 0.352156 O\n0.573771 0.425694 0.147844 O\n0.574206 0.221590 0.352371 O\n0.778410 0.425794 0.147629 O\n0.127704 0.872296 0.250000 F\n0.872296 0.127704 0.750000 F\n0.396813 0.837998 0.169580 F\n0.162002 0.603187 0.330420 F\n0.929883 0.991390 0.179314 F\n0.008610 0.070117 0.320686 F\n0.397897 0.992616 0.940391 F\n0.171780 0.069066 0.939569 F\n0.930934 0.828220 0.560431 F\n0.007384 0.602103 0.559609 F\n0.397675 0.066494 0.094903 F\n0.172168 0.991415 0.397774 F\n0.933506 0.602325 0.405097 F\n0.008585 0.827832 0.102226 F\n0.603187 0.162002 0.830420 F\n0.837998 0.396813 0.669580 F\n0.070117 0.008610 0.820686 F\n0.991390 0.929883 0.679314 F\n0.602103 0.007384 0.059609 F\n0.828220 0.930934 0.060431 F\n0.069066 0.171780 0.439569 F\n0.992616 0.397897 0.440391 F\n0.602325 0.933506 0.905097 F\n0.827832 0.008585 0.602226 F\n0.066494 0.397675 0.594903 F\n0.991415 0.172168 0.897774 F\n",
"nsites": 120,
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"elements": [
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"formula_full": "Ca8 Al2 Si2 H48 S2 O32 F26",
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"spacegroup": 15
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{
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{
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]
}