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{
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"results": [
{
"id": "mp-22979",
"created_at": "2022-09-04T14:42:23.144100Z",
"structure_string": "Ga1 Bi1 O3\n1.0\n3.894506 0.000000 0.000000\n0.000000 3.894506 0.000000\n0.000000 0.000000 3.894506\nGa Bi O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Ga1 Bi1 O3",
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{
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"structure_string": "Li12 Al2 Cr2 O12\n1.0\n2.692478 -4.663509 0.000000\n2.692478 4.663509 0.000000\n0.000000 0.000000 9.732503\nLi Al Cr O\n12 2 2 12\ndirect\n0.937399 0.621171 0.422960 Li\n0.062601 0.683771 0.922960 Li\n0.621171 0.937399 0.922960 Li\n0.937399 0.316229 0.077040 Li\n0.683771 0.062601 0.422960 Li\n0.062601 0.378829 0.577040 Li\n0.621171 0.683771 0.577040 Li\n0.378829 0.316229 0.422960 Li\n0.316229 0.378829 0.922960 Li\n0.683771 0.621171 0.077040 Li\n0.378829 0.062601 0.077040 Li\n0.316229 0.937399 0.577040 Li\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n0.000000 0.000000 0.250000 Cr\n0.000000 0.000000 0.750000 Cr\n0.053449 0.704998 0.134506 O\n0.946551 0.651549 0.634506 O\n0.651549 0.946551 0.134506 O\n0.053449 0.348451 0.365494 O\n0.946551 0.295002 0.865494 O\n0.704998 0.053449 0.634506 O\n0.348451 0.295002 0.634506 O\n0.704998 0.651549 0.865494 O\n0.295002 0.348451 0.134506 O\n0.651549 0.704998 0.365494 O\n0.295002 0.946551 0.365494 O\n0.348451 0.053449 0.865494 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.9434604004762837,
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"volume": 244.41031151327573,
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"formula_full": "Li12 Al2 Cr2 O12",
"formula_reduced": "Li6AlCrO6",
"formula_anonymous": "ABC6D6",
"energy": -175.28511437999998,
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"updated_at": "2021-11-28T01:35:44.793000Z",
"spacegroup": 163
},
{
"id": "mp-1219276",
"created_at": "2022-09-04T14:42:20.924007Z",
"structure_string": "Sm6 Si19 Rh30\n1.0\n7.923787 -13.724402 0.000000\n7.923787 13.724402 0.000000\n0.000000 0.000000 3.881299\nSm Si Rh\n6 19 30\ndirect\n0.899864 0.603301 0.250211 Sm\n0.703437 0.100136 0.250211 Sm\n0.396699 0.296563 0.250211 Sm\n0.099771 0.394998 0.750158 Sm\n0.295227 0.900229 0.750158 Sm\n0.605002 0.704773 0.750158 Sm\n0.133045 0.878814 0.250423 Si\n0.745769 0.866955 0.250423 Si\n0.121186 0.254231 0.250423 Si\n0.867637 0.122405 0.750257 Si\n0.254769 0.132363 0.750257 Si\n0.877595 0.745231 0.750257 Si\n0.318673 0.759229 0.250080 Si\n0.440556 0.681327 0.250080 Si\n0.240771 0.559444 0.250080 Si\n0.681194 0.240903 0.749980 Si\n0.559709 0.318806 0.749980 Si\n0.759097 0.440291 0.749980 Si\n0.935998 0.371250 0.250101 Si\n0.435252 0.064002 0.250101 Si\n0.628750 0.564748 0.250101 Si\n0.063744 0.629135 0.749936 Si\n0.565391 0.936256 0.749936 Si\n0.370865 0.434609 0.749936 Si\n0.000000 0.000000 0.165972 Si\n0.153867 0.736522 0.249655 Rh\n0.582655 0.846133 0.249655 Rh\n0.263478 0.417345 0.249655 Rh\n0.846728 0.263903 0.750314 Rh\n0.417175 0.153272 0.750314 Rh\n0.736097 0.582825 0.750314 Rh\n0.075093 0.536332 0.250010 Rh\n0.461239 0.924907 0.250010 Rh\n0.463668 0.538761 0.250010 Rh\n0.925009 0.463254 0.749707 Rh\n0.538245 0.074991 0.749707 Rh\n0.536746 0.461755 0.749707 Rh\n0.769207 0.725466 0.251200 Rh\n0.956259 0.230793 0.251200 Rh\n0.274534 0.043741 0.251200 Rh\n0.230570 0.275005 0.749202 Rh\n0.044435 0.769430 0.749202 Rh\n0.724995 0.955565 0.749202 Rh\n0.968074 0.840908 0.248691 Rh\n0.872834 0.031926 0.248691 Rh\n0.159092 0.127166 0.248691 Rh\n0.029074 0.146609 0.753346 Rh\n0.117536 0.970926 0.753346 Rh\n0.853391 0.882464 0.753346 Rh\n0.650926 0.426997 0.249885 Rh\n0.776071 0.349074 0.249885 Rh\n0.573003 0.223929 0.249885 Rh\n0.349161 0.572990 0.750220 Rh\n0.223829 0.650839 0.750220 Rh\n0.427010 0.776171 0.750220 Rh\n",
"nsites": 55,
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"elements": [
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"Si",
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],
"chemical_system": "Rh-Si-Sm",
"density": 8.89687557771106,
"density_atomic": 0.06515224277749243,
"volume": 844.1766185676169,
"volume_molar": 9.243182587845489,
"formula_full": "Sm6 Si19 Rh30",
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"formula_anonymous": "A6B19C30",
"energy": -406.87282763,
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"updated_at": "2021-11-28T01:35:47.525000Z",
"spacegroup": 143
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{
"id": "mp-1222163",
"created_at": "2022-09-04T14:42:20.932009Z",
"structure_string": "Mg16 Fe4 O20\n1.0\n2.139985 2.141242 -4.260931\n2.140533 2.141849 4.261504\n12.890470 -8.615311 0.000209\nMg Fe O\n16 4 20\ndirect\n0.198979 0.198979 0.601938 Mg\n0.698863 0.698853 0.602064 Mg\n0.449884 0.949202 0.100974 Mg\n0.949211 0.449873 0.100982 Mg\n0.050782 0.550129 0.899021 Mg\n0.550133 0.050782 0.899024 Mg\n0.301149 0.301152 0.397919 Mg\n0.800998 0.801002 0.398079 Mg\n0.149536 0.649508 0.701039 Mg\n0.649544 0.149560 0.700985 Mg\n0.399449 0.399442 0.200414 Mg\n0.899045 0.899036 0.201500 Mg\n0.100949 0.100942 0.798502 Mg\n0.600557 0.600552 0.799586 Mg\n0.350489 0.850455 0.298960 Mg\n0.850436 0.350450 0.299015 Mg\n0.249940 0.750030 0.499998 Fe\n0.499987 0.500020 0.999995 Fe\n0.749916 0.250025 0.500006 Fe\n0.000128 0.000101 0.000006 Fe\n0.500374 0.499605 0.500002 O\n0.999615 0.000393 0.499995 O\n0.744240 0.255776 0.000004 O\n0.255763 0.744213 0.999998 O\n0.350626 0.849330 0.800398 O\n0.849322 0.350606 0.800398 O\n0.599858 0.599715 0.300448 O\n0.099686 0.099813 0.300320 O\n0.900175 0.900300 0.699678 O\n0.400286 0.400143 0.699551 O\n0.150669 0.649372 0.199599 O\n0.649387 0.150666 0.199602 O\n0.807158 0.807147 0.895704 O\n0.299001 0.299010 0.895234 O\n0.052875 0.552884 0.394953 O\n0.552201 0.052199 0.394955 O\n0.447091 0.947137 0.605046 O\n0.947837 0.447761 0.605041 O\n0.701006 0.700987 0.104765 O\n0.192857 0.192850 0.104303 O\n",
"nsites": 40,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 3.944926061148853,
"density_atomic": 0.1019338203406846,
"volume": 392.4114672275743,
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"formula_full": "Mg16 Fe4 O20",
"formula_reduced": "Mg4FeO5",
"formula_anonymous": "AB4C5",
"energy": -267.80253245,
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"spacegroup": 71
},
{
"id": "mp-19406",
"created_at": "2022-09-04T14:42:20.933245Z",
"structure_string": "La8 Mg4 Mn4 O24\n1.0\n-3.247283 4.542388 5.504671\n-6.389614 -4.542388 0.138192\n4.794413 -0.017086 8.187912\nLa Mg Mn O\n8 4 4 24\ndirect\n0.875453 0.124547 0.750905 La\n0.125453 0.374547 0.250905 La\n0.375453 0.624547 0.750905 La\n0.625453 0.874547 0.250905 La\n0.624547 0.375453 0.249095 La\n0.874547 0.625453 0.749095 La\n0.124547 0.875453 0.249095 La\n0.374547 0.125453 0.749095 La\n0.750000 0.250000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mn\n0.750000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.500000 Mn\n0.847486 0.085307 0.241469 O\n0.097486 0.335307 0.741469 O\n0.347486 0.585307 0.241469 O\n0.597486 0.835307 0.741469 O\n0.473755 0.299493 0.535427 O\n0.723755 0.549493 0.035427 O\n0.973755 0.799493 0.535427 O\n0.223755 0.049493 0.035427 O\n0.801317 0.492642 0.468220 O\n0.051317 0.742642 0.968220 O\n0.301317 0.992642 0.468220 O\n0.551317 0.242642 0.968220 O\n0.652514 0.414693 0.758531 O\n0.902514 0.664693 0.258531 O\n0.152514 0.914693 0.758531 O\n0.402514 0.164693 0.258531 O\n0.698683 0.007358 0.531780 O\n0.948683 0.257358 0.031780 O\n0.198683 0.507358 0.531780 O\n0.448683 0.757358 0.031780 O\n0.026245 0.200507 0.464573 O\n0.276245 0.450507 0.964573 O\n0.526245 0.700507 0.464573 O\n0.776245 0.950507 0.964573 O\n",
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"elements": [
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"formula_full": "La8 Mg4 Mn4 O24",
"formula_reduced": "La2MgMnO6",
"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:42:20.972564Z",
"structure_string": "Lu1 Ir1\n1.0\n3.355690 0.000000 0.000000\n0.000000 3.355690 0.000000\n0.000000 0.000000 3.355690\nLu Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Lu1 Ir1",
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"updated_at": "2021-11-28T01:35:45.295000Z",
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{
"id": "mp-1030690",
"created_at": "2022-09-04T14:42:20.986123Z",
"structure_string": "Na1 Mg6 B1 O7\n1.0\n8.038278 0.000000 0.000000\n-0.000000 4.406683 0.000000\n0.000000 0.000000 4.406683\nNa Mg B O\n1 6 1 7\ndirect\n0.999166 0.000000 -0.000000 Na\n0.004843 0.500000 0.500000 Mg\n0.504317 0.500000 0.500000 Mg\n0.260644 0.000000 0.500000 Mg\n0.749355 0.000000 0.500000 Mg\n0.260644 0.500000 0.000000 Mg\n0.749355 0.500000 0.000000 Mg\n0.508424 0.000000 -0.000000 B\n0.686160 0.000000 -0.000000 O\n0.255156 0.500000 0.500000 O\n0.753843 0.500000 0.500000 O\n0.005654 0.000000 0.500000 O\n0.503392 0.000000 0.500000 O\n0.005654 0.500000 -0.000000 O\n0.503392 0.500000 0.000000 O\n",
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"volume": 156.09415543399396,
"volume_molar": 6.26680650557887,
"formula_full": "Na1 Mg6 B1 O7",
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{
"id": "mp-1094460",
"created_at": "2022-09-04T14:42:23.213814Z",
"structure_string": "Mg2 Zn4\n1.0\n1.485171 -7.395949 0.000000\n1.485171 7.395949 0.000000\n0.000000 0.000000 4.734318\nMg Zn\n2 4\ndirect\n0.283727 0.716273 0.250000 Mg\n0.716273 0.283727 0.750000 Mg\n0.607591 0.392409 0.250000 Zn\n0.951108 0.048892 0.250000 Zn\n0.048892 0.951108 0.750000 Zn\n0.392409 0.607591 0.750000 Zn\n",
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],
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"volume": 104.00585525188394,
"volume_molar": 10.43896500318384,
"formula_full": "Mg2 Zn4",
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{
"id": "mp-766040",
"created_at": "2022-09-04T14:42:20.926706Z",
"structure_string": "Li16 V8 Si4 O32\n1.0\n10.933603 0.000000 0.000000\n0.000000 8.273770 0.000000\n0.000000 1.876175 8.063714\nLi V Si O\n16 8 4 32\ndirect\n0.668864 0.399500 0.096311 Li\n0.166262 0.337080 0.162509 Li\n0.336774 0.856649 0.157279 Li\n0.421621 0.535245 0.218996 Li\n0.921621 0.464755 0.281004 Li\n0.836774 0.143351 0.342721 Li\n0.666262 0.662920 0.337491 Li\n0.168864 0.600500 0.403689 Li\n0.831136 0.399500 0.596311 Li\n0.333738 0.337080 0.662509 Li\n0.163226 0.856649 0.657279 Li\n0.078379 0.535245 0.718996 Li\n0.578379 0.464755 0.781004 Li\n0.663226 0.143351 0.842721 Li\n0.833738 0.662920 0.837491 Li\n0.331136 0.600500 0.903689 Li\n0.410670 0.235632 0.041864 V\n0.086950 0.712196 0.030956 V\n0.586950 0.287804 0.469044 V\n0.089330 0.235632 0.541864 V\n0.910670 0.764368 0.458136 V\n0.413050 0.712196 0.530956 V\n0.913050 0.287804 0.969044 V\n0.589330 0.764368 0.958136 V\n0.834127 0.910269 0.086249 Si\n0.334127 0.089731 0.413751 Si\n0.665873 0.910269 0.586249 Si\n0.165873 0.089731 0.913751 Si\n0.081351 0.220643 0.991412 O\n0.333883 0.403177 0.090672 O\n0.385792 0.057868 0.236252 O\n0.436881 0.741859 0.020502 O\n0.842814 0.335107 0.142454 O\n0.172810 0.908791 0.048605 O\n0.695301 0.831002 0.116872 O\n0.088487 0.545528 0.207948 O\n0.588487 0.454472 0.292052 O\n0.195301 0.168998 0.383128 O\n0.672810 0.091209 0.451395 O\n0.342814 0.664893 0.357546 O\n0.936881 0.258141 0.479498 O\n0.885792 0.942132 0.263748 O\n0.418649 0.220643 0.491412 O\n0.833883 0.596823 0.409328 O\n0.166117 0.403177 0.590672 O\n0.581351 0.779357 0.508588 O\n0.114208 0.057868 0.736252 O\n0.063119 0.741859 0.520502 O\n0.657186 0.335107 0.642454 O\n0.327190 0.908791 0.548605 O\n0.804699 0.831002 0.616872 O\n0.411513 0.545528 0.707948 O\n0.911513 0.454472 0.792052 O\n0.304699 0.168998 0.883128 O\n0.827190 0.091209 0.951395 O\n0.157186 0.664893 0.857546 O\n0.563119 0.258141 0.979498 O\n0.614208 0.942132 0.763748 O\n0.666117 0.596823 0.909328 O\n0.918649 0.779357 0.008588 O\n",
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],
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