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{
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{
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"structure_string": "Ce2 Se4\n1.0\n-3.350514 3.350514 5.673823\n3.350514 -3.350514 5.673823\n3.350514 3.350514 -5.673823\nCe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Ce\n0.875000 0.368202 0.993202 Se\n0.375000 0.881798 0.006798 Se\n0.118202 0.125000 0.493202 Se\n0.631798 0.625000 0.506798 Se\n",
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"spacegroup": 122
},
{
"id": "mp-1176544",
"created_at": "2022-09-04T14:39:34.122808Z",
"structure_string": "Na6 Ni4 P4 C4 O28\n1.0\n17.881310 -0.048894 0.000000\n0.140762 5.175797 0.000000\n0.000000 0.000000 6.564693\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.126541 0.241202 0.027824 Na\n0.374255 0.758990 0.510369 Na\n0.375754 0.758475 0.985788 Na\n0.626541 0.241202 0.472176 Na\n0.875754 0.758475 0.514212 Na\n0.874255 0.758990 0.989631 Na\n0.173050 0.783554 0.739839 Ni\n0.324788 0.220072 0.245950 Ni\n0.673050 0.783554 0.760161 Ni\n0.824788 0.220072 0.254050 Ni\n0.212170 0.716338 0.246361 P\n0.286599 0.281326 0.746845 P\n0.712170 0.716338 0.253639 P\n0.786599 0.281326 0.753155 P\n0.036408 0.711794 0.753030 C\n0.461472 0.283721 0.249680 C\n0.536408 0.711794 0.746970 C\n0.961472 0.283721 0.250320 C\n0.030224 0.317692 0.247755 O\n0.065592 0.938242 0.751853 O\n0.086572 0.525669 0.752584 O\n0.163088 0.794592 0.060926 O\n0.164844 0.785633 0.434881 O\n0.212116 0.138417 0.757708 O\n0.230447 0.420989 0.235504 O\n0.270761 0.581245 0.746547 O\n0.287693 0.858167 0.246007 O\n0.333503 0.204597 0.557815 O\n0.336332 0.210398 0.933387 O\n0.411978 0.474634 0.248098 O\n0.431541 0.056962 0.248860 O\n0.466914 0.676276 0.746093 O\n0.530224 0.317692 0.252245 O\n0.565592 0.938242 0.748147 O\n0.586573 0.525669 0.747416 O\n0.664844 0.785633 0.065119 O\n0.663088 0.794592 0.439074 O\n0.712116 0.138417 0.742292 O\n0.730447 0.420989 0.264496 O\n0.770761 0.581245 0.753453 O\n0.787693 0.858167 0.253993 O\n0.836332 0.210398 0.566613 O\n0.833503 0.204597 0.942185 O\n0.911978 0.474634 0.251902 O\n0.931541 0.056962 0.251140 O\n0.966914 0.676276 0.753907 O\n",
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"formula_full": "Na6 Ni4 P4 C4 O28",
"formula_reduced": "Na3Ni2P2(CO7)2",
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{
"id": "mp-766048",
"created_at": "2022-09-04T14:39:31.777376Z",
"structure_string": "Li8 V4 Si2 Ge2 O20\n1.0\n4.558694 0.000000 0.000000\n0.000000 9.201674 0.000000\n0.000000 0.000000 9.206220\nLi V Si Ge O\n8 4 2 2 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.750000 0.253628 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.250000 0.253628 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.750000 0.746372 Li\n0.000000 0.250000 0.746372 Li\n0.590109 0.000000 0.254339 V\n0.409891 0.500000 0.254339 V\n0.409891 0.000000 0.745661 V\n0.590109 0.500000 0.745661 V\n0.500000 0.750000 0.500000 Si\n0.500000 0.250000 0.500000 Si\n0.500000 0.750000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.221866 0.000000 0.251424 O\n0.735276 0.856838 0.109309 O\n0.264724 0.643162 0.109309 O\n0.717178 0.852529 0.399522 O\n0.264724 0.356838 0.109309 O\n0.778134 0.500000 0.251424 O\n0.282822 0.647471 0.399522 O\n0.282822 0.852529 0.600478 O\n0.778134 0.000000 0.748576 O\n0.735276 0.143162 0.109309 O\n0.717178 0.647471 0.600478 O\n0.282822 0.352529 0.399522 O\n0.264724 0.856838 0.890691 O\n0.717178 0.147471 0.399522 O\n0.717178 0.352529 0.600478 O\n0.221866 0.500000 0.748576 O\n0.735276 0.643162 0.890691 O\n0.282822 0.147471 0.600478 O\n0.735276 0.356838 0.890691 O\n0.264724 0.143162 0.890691 O\n",
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"volume": 386.1789818664096,
"volume_molar": 6.460067187091683,
"formula_full": "Li8 V4 Si2 Ge2 O20",
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"spacegroup": 49
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{
"id": "mp-26118",
"created_at": "2022-09-04T14:39:32.762424Z",
"structure_string": "Li4 Mn8 P12 O48\n1.0\n8.492028 0.000000 0.000000\n0.000000 8.225922 0.000000\n0.000000 0.007589 11.707365\nLi Mn P O\n4 8 12 48\ndirect\n0.960539 0.317840 0.679961 Li\n0.648401 0.426605 0.196584 Li\n0.039461 0.817840 0.179961 Li\n0.351599 0.926605 0.696584 Li\n0.220940 0.253575 0.112868 Mn\n0.722729 0.244949 0.391609 Mn\n0.283460 0.253759 0.614216 Mn\n0.776726 0.248381 0.885106 Mn\n0.716540 0.753759 0.114216 Mn\n0.223274 0.748381 0.385106 Mn\n0.779060 0.753575 0.612868 Mn\n0.277271 0.744949 0.891609 Mn\n0.502740 0.964507 0.489403 P\n0.637034 0.890090 0.852035 P\n0.366845 0.890208 0.143479 P\n0.133862 0.611332 0.645423 P\n0.861709 0.613599 0.357792 P\n0.999427 0.532036 0.006782 P\n0.497260 0.464507 0.989403 P\n0.633155 0.390208 0.643479 P\n0.000573 0.032036 0.506782 P\n0.866138 0.111332 0.145423 P\n0.362966 0.390090 0.352035 P\n0.138291 0.113599 0.857792 P\n0.694256 0.273573 0.548010 O\n0.923081 0.934235 0.605437 O\n0.126829 0.937878 0.441074 O\n0.830929 0.931100 0.179050 O\n0.612460 0.901845 0.585440 O\n0.532713 0.837202 0.181164 O\n0.678073 0.857082 0.977645 O\n0.248962 0.863548 0.243311 O\n0.364594 0.069734 0.107617 O\n0.578713 0.066152 0.393818 O\n0.376819 0.059157 0.560369 O\n0.676991 0.067489 0.820106 O\n0.884486 0.095759 0.415206 O\n0.048094 0.117485 0.157601 O\n0.817665 0.140305 0.021263 O\n0.250128 0.129041 0.752708 O\n0.973109 0.171449 0.817011 O\n0.075783 0.183974 0.564708 O\n0.771079 0.227779 0.223589 O\n0.194044 0.228167 0.953763 O\n0.269381 0.274442 0.273723 O\n0.137183 0.932720 0.893396 O\n0.576957 0.315690 0.934649 O\n0.467287 0.337202 0.681164 O\n0.321927 0.357082 0.477645 O\n0.546042 0.375629 0.338035 O\n0.751038 0.363548 0.743311 O\n0.387540 0.401845 0.085440 O\n0.076919 0.434235 0.105437 O\n0.862817 0.432720 0.393396 O\n0.169071 0.431100 0.679050 O\n0.873171 0.437878 0.941074 O\n0.623181 0.559157 0.060369 O\n0.323009 0.567489 0.320106 O\n0.635406 0.569734 0.607617 O\n0.421287 0.566152 0.893818 O\n0.115514 0.595759 0.915206 O\n0.749872 0.629041 0.252708 O\n0.951906 0.617485 0.657601 O\n0.182335 0.640305 0.521263 O\n0.026891 0.671449 0.317011 O\n0.924217 0.683974 0.064708 O\n0.805956 0.728167 0.453763 O\n0.228921 0.727779 0.723589 O\n0.305744 0.773573 0.048010 O\n0.730619 0.774442 0.773723 O\n0.423043 0.815690 0.434649 O\n0.453958 0.875629 0.838035 O\n",
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{
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{
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"structure_string": "Ba1 Sr1 Fe1 Bi1 O6\n1.0\n0.000000 -4.155163 -4.155163\n4.155163 -0.000000 -4.155163\n4.155163 -4.155163 0.000000\nBa Sr Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Bi\n0.743951 0.256049 0.256049 O\n0.256049 0.743951 0.743951 O\n0.743951 0.256049 0.743951 O\n0.256049 0.743951 0.256049 O\n0.743951 0.743951 0.256049 O\n0.256049 0.256049 0.743951 O\n",
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{
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