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{
"id": "mp-1217837",
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"structure_string": "Sr1 V4 O10\n1.0\n-5.874776 -1.912268 -0.267778\n-5.884279 1.872615 -0.261750\n-0.110777 0.018254 -9.145690\nSr V O\n1 4 10\ndirect\n0.585948 0.586316 0.021386 Sr\n0.230534 0.232490 0.330144 V\n0.768792 0.766195 0.667722 V\n0.931062 0.935023 0.342003 V\n0.069158 0.067449 0.659426 V\n0.088791 0.090779 0.409896 O\n0.911427 0.911724 0.592823 O\n0.970381 0.975100 0.160628 O\n0.049950 0.047380 0.845744 O\n0.210478 0.212111 0.151440 O\n0.771996 0.767323 0.846968 O\n0.392957 0.396456 0.362520 O\n0.605118 0.603865 0.631632 O\n0.759694 0.762091 0.362480 O\n0.240235 0.238820 0.626399 O\n",
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{
"id": "mp-754443",
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"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n5.100627 0.000000 0.000000\n-0.845739 5.040315 0.000000\n-1.686417 -0.293914 5.623489\nLi Cr Ni O\n4 3 1 8\ndirect\n0.494712 0.748032 0.871687 Li\n0.505288 0.251968 0.128313 Li\n0.500295 0.746021 0.377644 Li\n0.499705 0.253979 0.622356 Li\n0.000000 0.500000 0.000000 Cr\n0.998435 0.997333 0.252071 Cr\n0.001565 0.002667 0.747929 Cr\n0.000000 0.500000 0.500000 Ni\n0.223271 0.869994 0.054066 O\n0.776729 0.130006 0.945934 O\n0.222792 0.369133 0.304024 O\n0.771363 0.635441 0.186581 O\n0.230221 0.881912 0.555220 O\n0.769779 0.118088 0.444780 O\n0.228637 0.364559 0.813419 O\n0.777208 0.630867 0.695976 O\n",
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"spacegroup": 2
},
{
"id": "mp-774903",
"created_at": "2022-09-04T14:39:34.187431Z",
"structure_string": "Cr2 Fe3 P6 W1 O24\n1.0\n7.529593 -4.342747 0.000000\n7.529593 4.342747 0.000000\n5.024883 0.000000 7.092586\nCr Fe P W O\n2 3 6 1 24\ndirect\n0.995585 0.995585 0.995585 Cr\n0.499620 0.499620 0.499620 Cr\n0.645632 0.645632 0.645632 Fe\n0.854179 0.854179 0.854179 Fe\n0.354338 0.354338 0.354338 Fe\n0.252427 0.546921 0.954213 P\n0.954213 0.252427 0.546921 P\n0.546921 0.954213 0.252427 P\n0.463108 0.044255 0.744716 P\n0.044255 0.744716 0.463108 P\n0.744716 0.463108 0.044255 P\n0.143533 0.143533 0.143533 W\n0.113717 0.311205 0.502670 O\n0.502670 0.113717 0.311205 O\n0.311205 0.502670 0.113717 O\n0.086262 0.735201 0.940236 O\n0.190129 0.384805 0.995190 O\n0.414267 0.554774 0.761965 O\n0.940236 0.086262 0.735201 O\n0.761965 0.414267 0.554774 O\n0.615873 0.006304 0.809126 O\n0.554774 0.761965 0.414267 O\n0.265199 0.064000 0.913479 O\n0.006304 0.809126 0.615873 O\n0.995190 0.190129 0.384805 O\n0.735201 0.940236 0.086262 O\n0.440259 0.239414 0.586301 O\n0.384805 0.995190 0.190129 O\n0.239414 0.586301 0.440259 O\n0.064000 0.913479 0.265199 O\n0.586301 0.440259 0.239414 O\n0.809126 0.615873 0.006304 O\n0.913479 0.265199 0.064000 O\n0.694023 0.491633 0.885419 O\n0.491633 0.885419 0.694023 O\n0.885419 0.694023 0.491633 O\n",
"nsites": 36,
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"formula_full": "Cr2 Fe3 P6 W1 O24",
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},
{
"id": "mp-1220031",
"created_at": "2022-09-04T14:39:34.191259Z",
"structure_string": "Pr4 Mo6 O24\n1.0\n5.949831 3.814416 0.000000\n-5.949831 3.814416 0.000000\n0.000000 3.806711 11.458690\nPr Mo O\n4 6 24\ndirect\n0.208236 0.455729 0.588655 Pr\n0.544271 0.791764 0.911345 Pr\n0.455729 0.208236 0.088655 Pr\n0.791764 0.544271 0.411345 Pr\n0.710908 0.962063 0.576522 Mo\n0.037937 0.289092 0.923478 Mo\n0.374986 0.625014 0.250000 Mo\n0.289092 0.037937 0.423478 Mo\n0.625014 0.374986 0.750000 Mo\n0.962063 0.710908 0.076522 Mo\n0.070380 0.464971 0.788406 O\n0.419261 0.828103 0.117940 O\n0.719167 0.164634 0.462388 O\n0.535029 0.929620 0.711594 O\n0.835366 0.280833 0.037612 O\n0.171897 0.580739 0.382060 O\n0.701610 0.626929 0.783549 O\n0.070756 0.973083 0.102327 O\n0.389782 0.304725 0.456693 O\n0.373071 0.298390 0.716451 O\n0.695275 0.610218 0.043307 O\n0.026917 0.929244 0.397673 O\n0.580739 0.171897 0.882060 O\n0.929620 0.535029 0.211594 O\n0.280833 0.835366 0.537612 O\n0.164634 0.719167 0.962388 O\n0.464971 0.070380 0.288406 O\n0.828103 0.419261 0.617940 O\n0.929244 0.026917 0.897673 O\n0.298390 0.373071 0.216451 O\n0.610218 0.695275 0.543307 O\n0.304725 0.389782 0.956693 O\n0.626929 0.701610 0.283549 O\n0.973083 0.070756 0.602327 O\n",
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"elements": [
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"chemical_system": "Mo-O-Pr",
"density": 4.863225419768473,
"density_atomic": 0.065370418529044,
"volume": 520.1129312778354,
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"formula_full": "Pr4 Mo6 O24",
"formula_reduced": "Pr2(MoO4)3",
"formula_anonymous": "A2B3C12",
"energy": -291.68340180000007,
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},
{
"id": "mp-752893",
"created_at": "2022-09-04T14:39:34.193680Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n2.450467 4.897988 0.000000\n-2.450467 4.897988 0.000000\n0.000000 4.568141 7.881186\nLi Fe Si O\n2 2 2 8\ndirect\n0.536129 0.747520 0.867391 Li\n0.747520 0.536129 0.367391 Li\n0.492331 0.175081 0.504474 Fe\n0.175081 0.492331 0.004474 Fe\n0.854975 0.109213 0.747214 Si\n0.109213 0.854975 0.247214 Si\n0.196482 0.086220 0.693587 O\n0.867780 0.772866 0.874849 O\n0.577909 0.383925 0.849751 O\n0.760127 0.187121 0.577634 O\n0.086220 0.196482 0.193587 O\n0.772866 0.867780 0.374849 O\n0.383925 0.577909 0.349751 O\n0.187121 0.760127 0.077634 O\n",
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"volume": 189.18563104892303,
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"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
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{
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"created_at": "2022-09-04T14:39:34.194442Z",
"structure_string": "Co6 P4 O16\n1.0\n4.793482 -0.011526 0.019487\n-0.015195 6.012627 -0.097093\n0.041813 0.021247 10.348068\nCo P O\n6 4 16\ndirect\n0.524119 0.236208 0.774589 Co\n0.979961 0.234984 0.276532 Co\n0.020045 0.765023 0.723471 Co\n0.475889 0.763785 0.225410 Co\n0.499998 0.500008 0.499999 Co\n0.000001 0.499993 0.000000 Co\n0.079780 0.257313 0.594840 P\n0.424234 0.257621 0.097010 P\n0.575766 0.742364 0.902991 P\n0.920217 0.742702 0.405160 P\n0.731391 0.532882 0.839359 O\n0.238161 0.471595 0.653743 O\n0.268607 0.467104 0.160642 O\n0.761833 0.528420 0.346255 O\n0.191036 0.249985 0.453692 O\n0.683705 0.745728 0.043889 O\n0.316299 0.254260 0.956112 O\n0.808965 0.750027 0.546308 O\n0.239789 0.724865 0.396020 O\n0.760208 0.275145 0.603979 O\n0.254879 0.723741 0.894860 O\n0.745123 0.276249 0.105141 O\n0.691305 0.937828 0.821864 O\n0.806851 0.933364 0.320912 O\n0.308692 0.062158 0.178135 O\n0.193144 0.066650 0.679090 O\n",
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"formula_full": "Co6 P4 O16",
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{
"id": "mp-1211101",
"created_at": "2022-09-04T14:39:34.196384Z",
"structure_string": "Nb2 Ni22 B8 O40\n1.0\n3.095174 5.289322 0.000000\n-3.095174 5.289322 0.000000\n0.000000 4.409169 21.375450\nNb Ni B O\n2 22 8 40\ndirect\n0.720265 0.279735 0.750000 Nb\n0.279735 0.720265 0.250000 Nb\n0.575695 0.206538 0.608953 Ni\n0.424305 0.793462 0.391047 Ni\n0.793462 0.424305 0.891047 Ni\n0.206538 0.575695 0.108953 Ni\n0.681073 0.817220 0.749649 Ni\n0.318927 0.182780 0.250351 Ni\n0.182780 0.318927 0.750351 Ni\n0.817220 0.681073 0.249649 Ni\n0.796853 0.917366 0.893354 Ni\n0.203147 0.082634 0.106646 Ni\n0.082634 0.203147 0.606646 Ni\n0.917366 0.796853 0.393354 Ni\n0.496452 0.751834 0.999319 Ni\n0.503548 0.248166 0.000681 Ni\n0.248166 0.503548 0.500681 Ni\n0.751834 0.496452 0.499319 Ni\n0.192922 0.807078 0.750000 Ni\n0.807078 0.192922 0.250000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.304061 0.931886 0.867985 B\n0.695939 0.068114 0.132015 B\n0.068114 0.695939 0.632015 B\n0.931886 0.304061 0.367985 B\n0.569308 0.693809 0.630051 B\n0.430692 0.306191 0.369949 B\n0.306191 0.430692 0.869949 B\n0.693809 0.569308 0.130051 B\n0.468585 0.934237 0.600242 O\n0.531415 0.065763 0.399758 O\n0.065763 0.531415 0.899758 O\n0.934237 0.468585 0.100242 O\n0.515807 0.805842 0.900153 O\n0.484193 0.194158 0.099847 O\n0.194158 0.484193 0.599847 O\n0.805842 0.515807 0.400153 O\n0.833476 0.961957 0.800252 O\n0.166524 0.038043 0.199748 O\n0.038043 0.166524 0.699748 O\n0.961957 0.833476 0.300252 O\n0.935193 0.966836 0.100253 O\n0.064807 0.033164 0.899747 O\n0.033164 0.064807 0.399747 O\n0.966836 0.935193 0.600253 O\n0.333323 0.958002 0.801994 O\n0.666677 0.041998 0.198006 O\n0.041998 0.666677 0.698006 O\n0.958002 0.333323 0.301994 O\n0.543666 0.658844 0.696512 O\n0.456334 0.341156 0.303488 O\n0.341156 0.456334 0.803488 O\n0.658844 0.543666 0.196512 O\n0.614529 0.243455 0.514246 O\n0.385471 0.756545 0.485754 O\n0.756545 0.385471 0.985754 O\n0.243455 0.614529 0.014246 O\n0.517936 0.302350 0.901516 O\n0.482064 0.697650 0.098484 O\n0.697650 0.482064 0.598484 O\n0.302350 0.517936 0.401516 O\n0.536163 0.184398 0.703361 O\n0.463837 0.815602 0.296639 O\n0.815602 0.463837 0.796639 O\n0.184398 0.536163 0.203361 O\n0.757331 0.876668 0.986829 O\n0.242669 0.123332 0.013171 O\n0.123332 0.242669 0.513171 O\n0.876668 0.757331 0.486829 O\n",
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{
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"structure_string": "Nd4 Sn4 O14\n1.0\n0.000000 5.366996 5.366996\n5.366996 0.000000 5.366996\n5.366996 5.366996 0.000000\nNd Sn O\n4 4 14\ndirect\n0.625000 0.125000 0.625000 Nd\n0.625000 0.625000 0.625000 Nd\n0.625000 0.625000 0.125000 Nd\n0.125000 0.625000 0.625000 Nd\n0.625000 0.125000 0.125000 Sn\n0.125000 0.125000 0.625000 Sn\n0.125000 0.125000 0.125000 Sn\n0.125000 0.625000 0.125000 Sn\n0.491616 0.008384 0.008384 O\n0.491616 0.008384 0.491616 O\n0.008384 0.008384 0.491616 O\n0.250000 0.250000 0.250000 O\n0.491616 0.491616 0.008384 O\n0.241616 0.758384 0.758384 O\n0.241616 0.758384 0.241616 O\n0.008384 0.491616 0.008384 O\n0.008384 0.491616 0.491616 O\n0.758384 0.758384 0.241616 O\n0.241616 0.241616 0.758384 O\n0.000000 0.000000 0.000000 O\n0.758384 0.241616 0.758384 O\n0.758384 0.241616 0.241616 O\n",
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{
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"structure_string": "Ba3 Nd1\n1.0\n-2.961250 2.961250 6.029876\n2.961250 -2.961250 6.029876\n2.961250 2.961250 -6.029876\nBa Nd\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Nd\n",
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