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{
"id": "mp-26635",
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"structure_string": "Li2 V4 P6 O20\n1.0\n8.669014 0.000000 0.000000\n0.000000 4.657219 0.000000\n0.000000 1.190636 9.068538\nLi V P O\n2 4 6 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.069503 0.968167 0.334761 V\n0.430497 0.968167 0.334761 V\n0.569503 0.031833 0.665239 V\n0.930497 0.031833 0.665239 V\n0.250000 0.670794 0.822095 P\n0.750000 0.597719 0.463483 P\n0.750000 0.458486 0.859357 P\n0.250000 0.541514 0.140643 P\n0.250000 0.402281 0.536517 P\n0.750000 0.329206 0.177905 P\n0.101266 0.840779 0.814393 O\n0.398734 0.840779 0.814393 O\n0.750000 0.758994 0.766443 O\n0.601029 0.766852 0.484446 O\n0.898971 0.766852 0.484446 O\n0.250000 0.705768 0.447425 O\n0.101843 0.714057 0.154786 O\n0.398157 0.714057 0.154786 O\n0.250000 0.449397 0.972879 O\n0.750000 0.560668 0.290287 O\n0.250000 0.439332 0.709713 O\n0.750000 0.550603 0.027121 O\n0.601843 0.285943 0.845214 O\n0.898157 0.285943 0.845214 O\n0.750000 0.294232 0.552575 O\n0.101029 0.233148 0.515554 O\n0.398971 0.233148 0.515554 O\n0.250000 0.241006 0.233557 O\n0.601266 0.159221 0.185607 O\n0.898734 0.159221 0.185607 O\n",
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},
{
"id": "mp-1302349",
"created_at": "2022-09-04T14:45:12.546588Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n2.995099 1.786827 4.969498\n8.961192 -5.173711 -0.049508\n0.049963 3.487340 -4.969577\nMg Mn O\n4 8 16\ndirect\n0.511612 0.487834 0.488419 Mg\n0.011329 0.987821 0.988708 Mg\n0.313118 0.061319 0.686879 Mg\n0.813105 0.561882 0.186919 Mg\n0.114076 0.636547 0.885928 Mn\n0.614699 0.137982 0.385258 Mn\n0.062292 0.313328 0.437436 Mn\n0.561861 0.812851 0.936910 Mn\n0.062138 0.312220 0.937834 Mn\n0.562083 0.811965 0.437938 Mn\n0.562521 0.313348 0.937704 Mn\n0.063103 0.812854 0.438158 Mn\n0.171787 0.429464 0.828045 O\n0.670522 0.932114 0.329468 O\n0.954501 0.191014 0.045582 O\n0.453893 0.690661 0.546160 O\n0.966852 0.201730 0.590276 O\n0.467967 0.703739 0.092530 O\n0.409696 0.207797 0.590269 O\n0.908160 0.709185 0.091856 O\n0.409737 0.201757 0.033122 O\n0.907497 0.703746 0.532048 O\n0.712334 0.423632 0.836013 O\n0.212528 0.922675 0.336492 O\n0.712511 0.418365 0.287491 O\n0.212561 0.917841 0.787467 O\n0.163990 0.423652 0.287606 O\n0.663532 0.922683 0.787485 O\n",
"nsites": 28,
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"elements": [
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"density": 4.196442639186846,
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"volume": 313.67849886910693,
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"formula_full": "Mg4 Mn8 O16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 8
},
{
"id": "mp-771832",
"created_at": "2022-09-04T14:41:32.687023Z",
"structure_string": "Li4 Ti6 Sn2 O16\n1.0\n2.995159 -5.187768 0.000000\n2.995159 5.187768 0.000000\n0.000000 0.000000 10.034157\nLi Ti Sn O\n4 6 2 16\ndirect\n0.333333 0.666667 0.896316 Li\n0.000000 0.000000 0.993167 Li\n0.000000 0.000000 0.493167 Li\n0.666667 0.333333 0.396316 Li\n0.169742 0.830258 0.214862 Ti\n0.660517 0.830258 0.214862 Ti\n0.339483 0.169742 0.714862 Ti\n0.830258 0.169742 0.714862 Ti\n0.169742 0.339483 0.214862 Ti\n0.830258 0.660517 0.714862 Ti\n0.333333 0.666667 0.491207 Sn\n0.666667 0.333333 0.991207 Sn\n0.158910 0.841090 0.601277 O\n0.033660 0.516830 0.335617 O\n0.333333 0.666667 0.106502 O\n0.000000 0.000000 0.311215 O\n0.000000 0.000000 0.811215 O\n0.158910 0.317820 0.601277 O\n0.483170 0.966340 0.335617 O\n0.483170 0.516830 0.335617 O\n0.317820 0.158910 0.101277 O\n0.682180 0.841090 0.601277 O\n0.516830 0.483170 0.835617 O\n0.516830 0.033660 0.835617 O\n0.666667 0.333333 0.606502 O\n0.841090 0.682180 0.101277 O\n0.966340 0.483170 0.835617 O\n0.841090 0.158910 0.101277 O\n",
"nsites": 28,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Li-O-Sn-Ti",
"density": 4.304784426109929,
"density_atomic": 0.08979387540316132,
"volume": 311.8252762149324,
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"formula_full": "Li4 Ti6 Sn2 O16",
"formula_reduced": "Li2Ti3SnO8",
"formula_anonymous": "AB2C3D8",
"energy": -223.65403279,
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"updated_at": "2021-11-28T01:35:25.437000Z",
"spacegroup": 186
},
{
"id": "mp-19867",
"created_at": "2022-09-04T14:43:21.001927Z",
"structure_string": "Np2 As4\n1.0\n3.966183 0.000000 0.000000\n0.000000 3.966183 0.000000\n0.000000 0.000000 8.077077\nNp As\n2 4\ndirect\n0.000000 0.500000 0.713709 Np\n0.500000 0.000000 0.286291 Np\n0.000000 0.500000 0.356269 As\n0.500000 0.000000 0.643731 As\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n",
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"volume": 127.05732875708703,
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"formula_full": "Np2 As4",
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"updated_at": "2021-11-28T01:36:13.356000Z",
"spacegroup": 129
},
{
"id": "mp-755248",
"created_at": "2022-09-04T14:44:20.723914Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.962709 0.000000 0.000000\n0.000000 7.000102 0.000000\n0.000000 1.463076 7.028165\nMn O F\n8 14 2\ndirect\n0.264342 0.824038 0.064016 Mn\n0.745716 0.171857 0.412872 Mn\n0.261941 0.324069 0.069871 Mn\n0.728526 0.672341 0.432919 Mn\n0.245716 0.828143 0.587128 Mn\n0.764342 0.175962 0.935984 Mn\n0.761941 0.675931 0.930129 Mn\n0.228526 0.327659 0.567081 Mn\n0.935592 0.190251 0.165939 O\n0.434945 0.076721 0.064989 O\n0.089672 0.577760 0.061371 O\n0.066471 0.078845 0.558034 O\n0.583687 0.690704 0.171130 O\n0.566471 0.921155 0.441966 O\n0.914067 0.690118 0.671754 O\n0.405890 0.577121 0.559634 O\n0.934945 0.923279 0.935011 O\n0.435592 0.809749 0.834061 O\n0.414067 0.309882 0.328246 O\n0.905890 0.422879 0.440366 O\n0.083687 0.309296 0.828870 O\n0.589672 0.422240 0.938629 O\n0.569151 0.190010 0.683519 F\n0.069151 0.809990 0.316481 F\n",
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{
"id": "mp-684983",
"created_at": "2022-09-04T14:39:08.288687Z",
"structure_string": "Ba3 La1 In1 W2 O12\n1.0\n9.470384 -2.906970 0.000000\n9.470384 2.906970 0.000000\n8.578078 0.000000 4.955322\nBa La In W O\n3 1 1 2 12\ndirect\n0.710519 0.710519 0.710519 Ba\n0.288375 0.288375 0.288375 Ba\n0.131579 0.131579 0.131579 Ba\n0.858710 0.858710 0.858710 La\n0.999663 0.999663 0.999663 In\n0.577188 0.577188 0.577188 W\n0.423488 0.423488 0.423488 W\n0.781520 0.781520 0.300455 O\n0.300455 0.781520 0.781520 O\n0.781520 0.300455 0.781520 O\n0.381187 0.866540 0.381187 O\n0.381187 0.381187 0.866540 O\n0.866540 0.381187 0.381187 O\n0.622730 0.622730 0.132652 O\n0.132652 0.622730 0.622730 O\n0.622730 0.132652 0.622730 O\n0.221535 0.696889 0.221535 O\n0.221535 0.221535 0.696889 O\n0.696889 0.221535 0.221535 O\n",
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{
"id": "mp-776760",
"created_at": "2022-09-04T14:46:38.890319Z",
"structure_string": "Ti3 Fe1 Sb2 P6 O24\n1.0\n7.735415 -4.382448 0.000000\n7.735415 4.382448 0.000000\n5.252569 0.000000 7.173076\nTi Fe Sb P O\n3 1 2 6 24\ndirect\n0.145712 0.145712 0.145712 Ti\n0.351357 0.351357 0.351357 Ti\n0.649432 0.649432 0.649432 Ti\n0.848801 0.848801 0.848801 Fe\n0.991639 0.991639 0.991639 Sb\n0.497156 0.497156 0.497156 Sb\n0.959091 0.538671 0.253587 P\n0.253587 0.959091 0.538671 P\n0.538671 0.253587 0.959091 P\n0.457559 0.751567 0.043935 P\n0.751567 0.043935 0.457559 P\n0.043935 0.457559 0.751567 P\n0.497837 0.311329 0.116004 O\n0.116004 0.497837 0.311329 O\n0.265332 0.914155 0.064064 O\n0.311329 0.116004 0.497837 O\n0.609307 0.800883 0.019906 O\n0.432372 0.581997 0.235055 O\n0.914155 0.064064 0.265332 O\n0.581997 0.235055 0.432372 O\n0.996166 0.383543 0.195939 O\n0.235055 0.432372 0.581997 O\n0.942911 0.731207 0.090113 O\n0.195939 0.996166 0.383543 O\n0.800883 0.019906 0.609307 O\n0.064064 0.265332 0.914155 O\n0.769152 0.558359 0.419362 O\n0.019906 0.609307 0.800883 O\n0.419362 0.769152 0.558359 O\n0.090113 0.942911 0.731207 O\n0.558359 0.419362 0.769152 O\n0.383543 0.195939 0.996166 O\n0.696314 0.885457 0.494731 O\n0.731207 0.090113 0.942911 O\n0.885457 0.494731 0.696314 O\n0.494731 0.696314 0.885457 O\n",
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{
"id": "mp-863944",
"created_at": "2022-09-04T14:39:31.195349Z",
"structure_string": "Ba10 V10 O28\n1.0\n5.785109 0.000000 0.000000\n2.849906 5.050714 0.000000\n0.208106 0.334294 23.811610\nBa V O\n10 10 28\ndirect\n0.666602 0.666654 0.794088 Ba\n0.661099 0.675158 0.612077 Ba\n0.668345 0.673293 0.295255 Ba\n0.672624 0.667548 0.111918 Ba\n0.000747 0.994666 0.999903 Ba\n0.998017 0.001722 0.499100 Ba\n0.328844 0.337373 0.890329 Ba\n0.333787 0.335626 0.391170 Ba\n0.336789 0.333267 0.207808 Ba\n0.329386 0.341596 0.707655 Ba\n0.632729 0.688869 0.946086 V\n0.684938 0.630126 0.446782 V\n0.991143 0.004286 0.859924 V\n0.015359 0.984223 0.140462 V\n0.998465 0.006330 0.748845 V\n0.991153 0.023507 0.639214 V\n0.000497 0.000839 0.359510 V\n0.000224 0.005477 0.248956 V\n0.308692 0.382102 0.554557 V\n0.371259 0.317304 0.054389 V\n0.530423 0.955354 0.004055 O\n0.310288 0.847464 0.899267 O\n0.341349 0.836278 0.406897 O\n0.293832 0.860660 0.695828 O\n0.310837 0.850041 0.195766 O\n0.834197 0.874450 0.700285 O\n0.862585 0.833371 0.200513 O\n0.839268 0.819725 0.906755 O\n0.825710 0.835230 0.405660 O\n0.854528 0.293252 0.198114 O\n0.843601 0.322658 0.697364 O\n0.850411 0.309623 0.400190 O\n0.831674 0.336022 0.907033 O\n0.016598 0.483243 0.499032 O\n0.165874 0.658129 0.598539 O\n0.177410 0.657534 0.094225 O\n0.144461 0.704770 0.802275 O\n0.150615 0.707469 0.306051 O\n0.187151 0.150798 0.589783 O\n0.150399 0.203765 0.085854 O\n0.140787 0.157318 0.800263 O\n0.159105 0.144931 0.301525 O\n0.451309 0.482785 0.996064 O\n0.504558 0.480149 0.499219 O\n0.699334 0.148546 0.807551 O\n0.701249 0.151073 0.303134 O\n0.659321 0.156846 0.592041 O\n0.671820 0.165952 0.098690 O\n",
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{
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},
{
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"formula_full": "Sr3 Ce1 Mn4 O12",
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{
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"formula_full": "K1 Zr1 Nb1 Bi1 O6",
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},
{
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"structure_string": "Nd1 Fe12 B6\n1.0\n3.722457 -4.793757 0.000000\n3.722457 4.793757 0.000000\n-2.450911 0.000000 5.552461\nNd Fe B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Nd\n0.869142 0.130858 0.500000 Fe\n0.455987 0.187864 0.455987 Fe\n0.455987 0.455987 0.187864 Fe\n0.187864 0.455987 0.455987 Fe\n0.130858 0.500000 0.869142 Fe\n0.500000 0.869142 0.130858 Fe\n0.812136 0.544013 0.544013 Fe\n0.130858 0.869142 0.500000 Fe\n0.869142 0.500000 0.130858 Fe\n0.500000 0.130858 0.869142 Fe\n0.544013 0.544013 0.812136 Fe\n0.544013 0.812136 0.544013 Fe\n0.230676 0.230676 0.684708 B\n0.315292 0.769324 0.769324 B\n0.769324 0.315292 0.769324 B\n0.684708 0.230676 0.230676 B\n0.769324 0.769324 0.315292 B\n0.230676 0.684708 0.230676 B\n",
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}