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{
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{
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"structure_string": "Mg6 Ga12 O24\n1.0\n2.990779 5.122278 0.000000\n-2.990779 5.122278 0.000000\n0.000000 0.022896 14.495138\nMg Ga O\n6 12 24\ndirect\n0.338306 0.338306 0.041322 Mg\n0.834415 0.834415 0.167649 Mg\n0.499885 0.499885 0.499820 Mg\n0.666349 0.666349 0.333050 Mg\n0.167342 0.167342 0.832011 Mg\n0.333034 0.333034 0.666177 Mg\n0.006344 0.006344 0.379545 Ga\n0.835264 0.328864 0.167549 Ga\n0.999639 0.999639 0.004463 Ga\n0.328864 0.835264 0.167549 Ga\n0.500235 0.999471 0.499704 Ga\n0.673252 0.673252 0.709027 Ga\n0.999471 0.500235 0.499704 Ga\n0.168549 0.661842 0.831691 Ga\n0.326731 0.326731 0.288512 Ga\n0.661842 0.168549 0.831691 Ga\n0.993262 0.993262 0.621653 Ga\n0.659623 0.659623 0.959133 Ga\n0.698718 0.159192 0.086429 O\n0.159192 0.698718 0.086429 O\n0.003133 0.003133 0.248447 O\n0.154218 0.154218 0.087849 O\n0.351150 0.831710 0.420869 O\n0.504542 0.504542 0.244945 O\n0.500576 0.983262 0.245547 O\n0.670600 0.670600 0.577145 O\n0.831710 0.351150 0.420869 O\n0.663326 0.663326 0.089412 O\n0.827610 0.827610 0.421257 O\n0.983262 0.500576 0.245547 O\n0.013816 0.499199 0.752876 O\n0.171599 0.171599 0.579201 O\n0.167959 0.649196 0.579436 O\n0.499199 0.013816 0.752876 O\n0.339774 0.339774 0.903216 O\n0.329301 0.329301 0.421678 O\n0.496967 0.496967 0.752954 O\n0.649196 0.167959 0.579436 O\n0.840767 0.840767 0.915453 O\n0.839522 0.310422 0.915721 O\n0.994850 0.994850 0.756086 O\n0.310422 0.839522 0.915721 O\n",
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"formula_full": "Mg6 Ga12 O24",
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"spacegroup": 8
},
{
"id": "mp-756191",
"created_at": "2022-09-04T14:45:30.366083Z",
"structure_string": "Mn5 Cu1 O12\n1.0\n2.529024 4.393026 -0.006089\n-2.552305 4.393819 -0.003045\n-0.006094 -0.010584 9.666255\nMn Cu O\n5 1 12\ndirect\n0.166601 0.666798 0.500000 Mn\n0.666932 0.666137 0.000000 Mn\n0.333068 0.333863 0.000000 Mn\n0.833399 0.333202 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.000418 0.663015 0.099905 O\n0.336567 0.663015 0.900095 O\n0.166442 0.333372 0.400695 O\n0.499814 0.666628 0.400695 O\n0.500186 0.333372 0.599305 O\n0.167014 0.000000 0.599202 O\n0.833558 0.666628 0.599305 O\n0.663433 0.336985 0.099905 O\n0.333579 0.000000 0.098754 O\n0.999582 0.336985 0.900095 O\n0.666420 0.000000 0.901246 O\n0.832986 0.000000 0.400798 O\n",
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"formula_full": "Mn5 Cu1 O12",
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{
"id": "mp-1206848",
"created_at": "2022-09-04T14:45:30.385984Z",
"structure_string": "Cs2 Tc1 I6\n1.0\n0.000000 5.921832 5.921832\n5.921832 0.000000 5.921832\n5.921832 5.921832 0.000000\nCs Tc I\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Tc\n0.767436 0.232564 0.232564 I\n0.232564 0.767436 0.767436 I\n0.232564 0.767436 0.232564 I\n0.767436 0.232564 0.767436 I\n0.232564 0.232564 0.767436 I\n0.767436 0.767436 0.232564 I\n",
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],
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"density": 4.498783958982692,
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"volume": 415.3347252541737,
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"formula_full": "Cs2 Tc1 I6",
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"energy": -30.68792364,
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{
"id": "mp-765659",
"created_at": "2022-09-04T14:45:30.393107Z",
"structure_string": "Li8 Co16 O4 F32\n1.0\n5.306410 0.000000 0.000000\n-0.060884 9.102188 0.000000\n-0.033881 -0.014629 14.379415\nLi Co O F\n8 16 4 32\ndirect\n0.993420 0.017449 0.159688 Li\n0.010816 0.002345 0.361826 Li\n0.486988 0.473257 0.657335 Li\n0.486299 0.538388 0.835503 Li\n0.476817 0.515943 0.358161 Li\n0.515009 0.477490 0.157117 Li\n0.997616 0.026655 0.648221 Li\n0.993313 0.971122 0.844781 Li\n0.022800 0.342266 0.319526 Co\n0.019639 0.667092 0.182529 Co\n0.994851 0.646282 0.471070 Co\n0.990202 0.332310 0.010460 Co\n0.490727 0.169502 0.504620 Co\n0.493208 0.830619 0.995985 Co\n0.496419 0.836983 0.688327 Co\n0.490826 0.164199 0.814255 Co\n0.482492 0.833340 0.186159 Co\n0.485633 0.166711 0.316065 Co\n0.483471 0.163625 0.017065 Co\n0.491220 0.834840 0.490633 Co\n0.023777 0.675238 0.993413 Co\n0.031582 0.330588 0.504343 Co\n0.009673 0.647260 0.685293 Co\n0.010501 0.363841 0.804669 Co\n0.149846 0.481897 0.416685 O\n0.204984 0.177025 0.410579 O\n0.203766 0.806187 0.090404 O\n0.208198 0.506569 0.747415 O\n0.136971 0.155365 0.763085 F\n0.142911 0.849093 0.738755 F\n0.154145 0.831181 0.424330 F\n0.143523 0.163236 0.076301 F\n0.168105 0.500386 0.078372 F\n0.302073 0.999844 0.248296 F\n0.311663 0.312512 0.916465 F\n0.327107 0.685129 0.587460 F\n0.354240 0.990154 0.586405 F\n0.352361 0.009301 0.915961 F\n0.343059 0.320849 0.586161 F\n0.344638 0.672756 0.917963 F\n0.355414 0.342475 0.246285 F\n0.361194 0.644713 0.247614 F\n0.662405 0.662501 0.745821 F\n0.651021 0.343712 0.759275 F\n0.649417 0.675608 0.418632 F\n0.658915 0.331406 0.075559 F\n0.647901 0.003443 0.416507 F\n0.644608 0.995317 0.086217 F\n0.680210 0.332595 0.407699 F\n0.697206 0.668598 0.086665 F\n0.685911 0.002081 0.752049 F\n0.834960 0.497350 0.240279 F\n0.792190 0.176797 0.915700 F\n0.798621 0.826097 0.590616 F\n0.866601 0.490902 0.918390 F\n0.849857 0.514438 0.582430 F\n0.832856 0.170332 0.570750 F\n0.829681 0.832614 0.927769 F\n0.840823 0.156204 0.263164 F\n0.835327 0.843987 0.236892 F\n",
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"formula_full": "Li8 Co16 O4 F32",
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{
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"created_at": "2022-09-04T14:45:30.437130Z",
"structure_string": "Li4 Ti1 Fe3 Sn2 P6 O24\n1.0\n9.306202 0.309983 0.432211\n4.962100 7.848675 0.355573\n5.132473 2.859130 7.422403\nLi Ti Fe Sn P O\n4 1 3 2 6 24\ndirect\n0.796276 0.130470 0.401696 Li\n0.293273 0.914327 0.626915 Li\n0.644798 0.293846 0.897192 Li\n0.889829 0.642321 0.304206 Li\n0.850692 0.839225 0.856519 Ti\n0.169137 0.152481 0.154917 Fe\n0.331122 0.352061 0.313411 Fe\n0.645529 0.653813 0.662566 Fe\n0.041088 0.021323 0.013974 Sn\n0.455092 0.502260 0.469763 Sn\n0.035518 0.749284 0.455925 P\n0.462522 0.037345 0.752540 P\n0.231064 0.552759 0.953979 P\n0.546072 0.952228 0.237140 P\n0.949436 0.236424 0.543610 P\n0.749387 0.447497 0.042329 P\n0.154152 0.189106 0.512371 O\n0.167908 0.554921 0.147003 O\n0.096473 0.907950 0.263350 O\n0.537573 0.152944 0.171994 O\n0.985928 0.803333 0.610032 O\n0.200496 0.556120 0.460846 O\n0.266917 0.122441 0.890723 O\n0.513877 0.195819 0.554030 O\n0.202480 0.396865 0.972554 O\n0.548158 0.466495 0.207316 O\n0.108013 0.747576 0.847352 O\n0.387343 0.952050 0.229173 O\n0.616818 0.956615 0.822214 O\n0.885730 0.249884 0.123909 O\n0.439279 0.537864 0.830921 O\n0.814522 0.598745 0.989313 O\n0.546170 0.827723 0.434800 O\n0.742885 0.855393 0.099899 O\n0.820888 0.434860 0.543643 O\n0.950753 0.210489 0.395990 O\n0.444162 0.891755 0.739934 O\n0.860180 0.096165 0.743772 O\n0.749261 0.450238 0.880117 O\n0.869199 0.743984 0.465063 O\n",
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"formula_full": "Li4 Ti1 Fe3 Sn2 P6 O24",
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{
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{
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{
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{
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}