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{
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{
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"structure_string": "Mn12 P8 O32\n1.0\n11.620964 0.000000 0.000000\n0.000000 6.347307 0.000000\n0.000000 1.450938 8.883336\nMn P O\n12 8 32\ndirect\n0.383343 0.362539 0.066811 Mn\n0.116657 0.862539 0.066811 Mn\n0.076928 0.333472 0.274393 Mn\n0.423072 0.833472 0.274393 Mn\n0.693399 0.377633 0.364393 Mn\n0.806601 0.877633 0.364393 Mn\n0.193399 0.122367 0.635607 Mn\n0.306601 0.622367 0.635607 Mn\n0.576928 0.166528 0.725607 Mn\n0.923072 0.666528 0.725607 Mn\n0.883343 0.137461 0.933189 Mn\n0.616657 0.637461 0.933189 Mn\n0.636543 0.111764 0.091595 P\n0.863457 0.611764 0.091595 P\n0.412399 0.306749 0.395475 P\n0.087601 0.806749 0.395475 P\n0.912399 0.193251 0.604525 P\n0.587601 0.693251 0.604525 P\n0.136543 0.388236 0.908405 P\n0.363457 0.888236 0.908405 P\n0.203388 0.396663 0.057691 O\n0.565531 0.324181 0.072292 O\n0.296612 0.896663 0.057691 O\n0.934469 0.824181 0.072292 O\n0.936137 0.407400 0.130020 O\n0.563863 0.907400 0.130020 O\n0.722924 0.127564 0.222567 O\n0.085946 0.013061 0.275016 O\n0.777076 0.627564 0.222567 O\n0.373834 0.133442 0.301988 O\n0.414054 0.513061 0.275016 O\n0.126166 0.633442 0.301988 O\n0.533643 0.260421 0.467574 O\n0.822173 0.171295 0.480647 O\n0.966357 0.760421 0.467574 O\n0.322173 0.328705 0.519353 O\n0.677827 0.671295 0.480647 O\n0.033643 0.239579 0.532426 O\n0.177827 0.828705 0.519353 O\n0.466357 0.739579 0.532426 O\n0.873834 0.366558 0.698012 O\n0.585946 0.486939 0.724984 O\n0.626166 0.866558 0.698012 O\n0.222924 0.372436 0.777433 O\n0.914054 0.986939 0.724984 O\n0.277076 0.872436 0.777433 O\n0.436137 0.092600 0.869980 O\n0.063863 0.592600 0.869980 O\n0.065531 0.175819 0.927708 O\n0.703388 0.103337 0.942309 O\n0.434469 0.675819 0.927708 O\n0.796612 0.603337 0.942309 O\n",
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"density": 3.596103151604276,
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"volume": 655.2510856102745,
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"formula_full": "Mn12 P8 O32",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 14
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{
"id": "mp-1101695",
"created_at": "2022-09-04T14:47:17.305858Z",
"structure_string": "Na2 Fe24 O38\n1.0\n2.993681 -5.185208 0.000000\n2.993681 5.185208 0.000000\n0.000000 0.000000 23.238679\nNa Fe O\n2 24 38\ndirect\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.168477 0.831523 0.890084 Fe\n0.168477 0.831523 0.609916 Fe\n0.333333 0.666667 0.191131 Fe\n0.333333 0.666667 0.028373 Fe\n0.333333 0.666667 0.308869 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.168477 0.336953 0.609916 Fe\n0.333333 0.666667 0.471627 Fe\n0.000000 0.000000 0.750000 Fe\n0.168477 0.336953 0.890084 Fe\n0.663047 0.831523 0.890084 Fe\n0.663047 0.831523 0.609916 Fe\n0.336953 0.168477 0.109916 Fe\n0.336953 0.168477 0.390084 Fe\n0.831523 0.663047 0.109916 Fe\n0.666667 0.333333 0.691131 Fe\n0.666667 0.333333 0.808869 Fe\n0.831523 0.663047 0.390084 Fe\n0.666667 0.333333 0.971627 Fe\n0.666667 0.333333 0.528373 Fe\n0.831523 0.168477 0.109916 Fe\n0.831523 0.168477 0.390084 Fe\n0.154808 0.845192 0.053063 O\n0.154808 0.845192 0.446937 O\n0.994754 0.497377 0.350195 O\n0.005246 0.502623 0.850195 O\n0.994754 0.497377 0.149805 O\n0.005246 0.502623 0.649805 O\n0.182627 0.817373 0.250000 O\n0.333333 0.666667 0.944577 O\n0.333333 0.666667 0.555423 O\n0.000000 0.000000 0.153110 O\n0.154808 0.309615 0.053063 O\n0.000000 0.000000 0.346890 O\n0.000000 0.000000 0.653110 O\n0.182627 0.365255 0.250000 O\n0.000000 0.000000 0.846890 O\n0.154808 0.309615 0.446937 O\n0.634745 0.817373 0.250000 O\n0.309615 0.154808 0.553063 O\n0.309615 0.154808 0.946937 O\n0.502623 0.497377 0.350195 O\n0.502623 0.497377 0.149805 O\n0.497377 0.502623 0.850195 O\n0.497377 0.502623 0.649805 O\n0.690385 0.845192 0.446937 O\n0.690385 0.845192 0.053063 O\n0.365255 0.182627 0.750000 O\n0.502623 0.005246 0.149805 O\n0.502623 0.005246 0.350195 O\n0.497377 0.994754 0.649805 O\n0.845192 0.690385 0.946937 O\n0.497377 0.994754 0.850195 O\n0.666667 0.333333 0.444577 O\n0.666667 0.333333 0.055423 O\n0.845192 0.690385 0.553063 O\n0.817373 0.634745 0.750000 O\n0.817373 0.182627 0.750000 O\n0.845192 0.154808 0.553063 O\n0.845192 0.154808 0.946937 O\n",
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],
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"density": 4.589999879101137,
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"formula_full": "Na2 Fe24 O38",
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"spacegroup": 194
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{
"id": "mp-28896",
"created_at": "2022-09-04T14:47:17.381706Z",
"structure_string": "Cu4 B4 Ir4\n1.0\n0.000000 4.371582 5.001713\n3.277152 0.000000 5.001713\n3.277152 4.371582 0.000000\nCu B Ir\n4 4 4\ndirect\n0.939757 0.790561 0.386333 Cu\n0.459439 0.310243 0.366651 Cu\n0.863667 0.366651 0.310243 Cu\n0.883349 0.386333 0.790561 Cu\n0.053412 0.982060 0.565545 B\n0.684455 0.851017 0.196588 B\n0.398983 0.565545 0.982060 B\n0.267940 0.196588 0.851017 B\n0.097351 0.629420 0.870882 Ir\n0.379118 0.847652 0.152649 Ir\n0.620580 0.152649 0.847652 Ir\n0.402348 0.870882 0.629420 Ir\n",
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],
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"formula_full": "Cu4 B4 Ir4",
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"spacegroup": 43
},
{
"id": "mp-1018117",
"created_at": "2022-09-04T14:47:17.390395Z",
"structure_string": "Ce2 Rh2\n1.0\n1.927367 -5.661466 0.000000\n1.927367 5.661466 0.000000\n0.000000 0.000000 4.035220\nCe Rh\n2 2\ndirect\n0.862987 0.137013 0.750000 Ce\n0.137013 0.862987 0.250000 Ce\n0.597156 0.402844 0.750000 Rh\n0.402844 0.597156 0.250000 Rh\n",
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{
"id": "mp-764378",
"created_at": "2022-09-04T14:47:17.398298Z",
"structure_string": "Li1 Co3 Sb1 P6 O24\n1.0\n8.512495 0.097221 0.050526\n4.194545 7.408894 0.070428\n4.222789 2.478571 6.979214\nLi Co Sb P O\n1 3 1 6 24\ndirect\n0.489387 0.500330 0.495644 Li\n0.136648 0.140535 0.138542 Co\n0.357953 0.355829 0.353872 Co\n0.637091 0.641127 0.638133 Co\n0.861124 0.860334 0.858971 Sb\n0.043323 0.747433 0.452763 P\n0.451359 0.043989 0.747460 P\n0.253790 0.525238 0.962822 P\n0.746897 0.453549 0.042767 P\n0.524951 0.966905 0.252663 P\n0.964894 0.253962 0.522276 P\n0.363658 0.999086 0.195461 O\n0.131148 0.299473 0.495174 O\n0.305488 0.499296 0.125434 O\n0.065866 0.918593 0.260279 O\n0.021028 0.791297 0.621275 O\n0.507593 0.127958 0.298651 O\n0.235970 0.576839 0.435636 O\n0.260936 0.066579 0.915878 O\n0.191935 0.368752 0.990672 O\n0.436580 0.238621 0.574981 O\n0.086813 0.723763 0.943951 O\n0.575338 0.439666 0.236588 O\n0.621664 0.016410 0.791986 O\n0.419184 0.542769 0.769961 O\n0.915429 0.260195 0.064390 O\n0.795244 0.620073 0.018001 O\n0.541721 0.773843 0.417654 O\n0.722856 0.944857 0.083712 O\n0.772242 0.421694 0.543827 O\n0.486609 0.874674 0.703380 O\n0.984744 0.201182 0.364357 O\n0.945387 0.085817 0.720051 O\n0.703008 0.491099 0.874127 O\n0.871842 0.707999 0.489222 O\n",
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{
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"structure_string": "Li4 Ti1 V5 O12\n1.0\n4.441806 2.604666 0.000000\n-4.441806 2.604666 0.000000\n0.000000 0.210805 10.246236\nLi Ti V O\n4 1 5 12\ndirect\n0.859643 0.354309 0.249573 Li\n0.645691 0.140357 0.750427 Li\n0.354309 0.859643 0.249573 Li\n0.140357 0.645691 0.750427 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 V\n0.842712 0.157288 0.500000 V\n0.662244 0.337756 0.000000 V\n0.337756 0.662244 0.000000 V\n0.157288 0.842712 0.500000 V\n0.989299 0.325503 0.893246 O\n0.674497 0.010701 0.106754 O\n0.837697 0.490729 0.606102 O\n0.509271 0.162303 0.393898 O\n0.831946 0.831946 0.395715 O\n0.680946 0.680946 0.899089 O\n0.319054 0.319054 0.100911 O\n0.168054 0.168054 0.604285 O\n0.490729 0.837697 0.606102 O\n0.162303 0.509271 0.393898 O\n0.325503 0.989299 0.893246 O\n0.010701 0.674497 0.106754 O\n",
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{
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"structure_string": "Ta2 Ni22 B8 O40\n1.0\n3.096181 5.285557 0.000000\n-3.096181 5.285557 0.000000\n0.000000 4.449464 21.351613\nTa Ni B O\n2 22 8 40\ndirect\n0.715147 0.284853 0.750000 Ta\n0.284853 0.715147 0.250000 Ta\n0.577930 0.206109 0.608906 Ni\n0.422070 0.793891 0.391094 Ni\n0.793891 0.422070 0.891094 Ni\n0.206109 0.577930 0.108906 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.188385 0.811615 0.750000 Ni\n0.811615 0.188385 0.250000 Ni\n0.680693 0.817505 0.750268 Ni\n0.319307 0.182495 0.249732 Ni\n0.182495 0.319307 0.749732 Ni\n0.817505 0.680693 0.250268 Ni\n0.499629 0.749433 0.999468 Ni\n0.500371 0.250567 0.000532 Ni\n0.250567 0.500371 0.500532 Ni\n0.749433 0.499629 0.499468 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.795555 0.917250 0.893466 Ni\n0.204445 0.082750 0.106534 Ni\n0.082750 0.204445 0.606534 Ni\n0.917250 0.795555 0.393466 Ni\n0.570861 0.694417 0.630158 B\n0.429139 0.305583 0.369842 B\n0.305583 0.429139 0.869842 B\n0.694417 0.570861 0.130158 B\n0.303402 0.931700 0.868329 B\n0.696598 0.068300 0.131671 B\n0.068300 0.696598 0.631671 B\n0.931700 0.303402 0.368329 B\n0.331163 0.959919 0.802170 O\n0.668837 0.040081 0.197830 O\n0.040081 0.668837 0.697830 O\n0.959919 0.331163 0.302170 O\n0.619474 0.243712 0.513680 O\n0.380526 0.756288 0.486320 O\n0.756288 0.380526 0.986320 O\n0.243712 0.619474 0.013680 O\n0.515869 0.801665 0.900094 O\n0.484131 0.198335 0.099906 O\n0.198335 0.484131 0.599906 O\n0.801665 0.515869 0.400094 O\n0.518054 0.299192 0.901037 O\n0.481946 0.700808 0.098963 O\n0.700808 0.481946 0.598963 O\n0.299192 0.518054 0.401037 O\n0.469641 0.934188 0.600269 O\n0.530359 0.065812 0.399731 O\n0.065812 0.530359 0.899731 O\n0.934188 0.469641 0.100269 O\n0.830472 0.966092 0.800032 O\n0.169528 0.033908 0.199968 O\n0.033908 0.169528 0.699968 O\n0.966092 0.830472 0.300032 O\n0.538551 0.182156 0.703389 O\n0.461449 0.817844 0.296611 O\n0.817844 0.461449 0.796611 O\n0.182156 0.538551 0.203389 O\n0.936059 0.965108 0.099923 O\n0.063941 0.034892 0.900077 O\n0.034892 0.063941 0.400077 O\n0.965108 0.936059 0.599923 O\n0.755122 0.880414 0.987396 O\n0.244878 0.119586 0.012604 O\n0.119586 0.244878 0.512604 O\n0.880414 0.755122 0.487396 O\n0.543815 0.657461 0.696986 O\n0.456185 0.342539 0.303014 O\n0.342539 0.456185 0.803014 O\n0.657461 0.543815 0.196986 O\n",
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