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{
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"results": [
{
"id": "mp-756399",
"created_at": "2022-09-04T14:40:34.730584Z",
"structure_string": "Li4 Mn3 Nb2 Cr3 O16\n1.0\n2.964036 5.226775 0.000000\n-2.964036 5.226775 0.000000\n0.000000 0.422704 9.760571\nLi Mn Nb Cr O\n4 3 2 3 16\ndirect\n0.660856 0.660856 0.094278 Li\n0.997813 0.997813 0.009405 Li\n0.002471 0.002471 0.509411 Li\n0.332492 0.332492 0.599538 Li\n0.830920 0.830920 0.787099 Mn\n0.169725 0.661609 0.285036 Mn\n0.661609 0.169725 0.285036 Mn\n0.667189 0.667189 0.511025 Nb\n0.320526 0.320526 0.006728 Nb\n0.339387 0.830108 0.784528 Cr\n0.830108 0.339387 0.784528 Cr\n0.170437 0.170437 0.284869 Cr\n0.343065 0.845586 0.411535 O\n0.520009 0.520009 0.661185 O\n0.669275 0.669275 0.886658 O\n0.996736 0.996736 0.695287 O\n0.002635 0.002635 0.196214 O\n0.845586 0.343065 0.411535 O\n0.514744 0.964669 0.655708 O\n0.964669 0.514744 0.655708 O\n0.164367 0.164367 0.899316 O\n0.840487 0.840487 0.406350 O\n0.031275 0.469482 0.150319 O\n0.469482 0.031275 0.150319 O\n0.333106 0.333106 0.385432 O\n0.174132 0.664905 0.911837 O\n0.477664 0.477664 0.161346 O\n0.664905 0.174132 0.911837 O\n",
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"formula_full": "Li4 Mn3 Nb2 Cr3 O16",
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"spacegroup": 8
},
{
"id": "mp-1026771",
"created_at": "2022-09-04T14:40:34.735122Z",
"structure_string": "Li1 Hf1 Mg14\n1.0\n6.384784 -0.008886 0.000000\n-3.200088 5.542714 0.000000\n0.000000 0.000000 10.184889\nLi Hf Mg\n1 1 14\ndirect\n0.171695 0.335847 0.125000 Li\n0.167720 0.833860 0.125000 Hf\n0.166469 0.333234 0.625000 Mg\n0.166572 0.833286 0.625000 Mg\n0.662363 0.336274 0.125000 Mg\n0.666952 0.333391 0.625000 Mg\n0.662363 0.826088 0.125000 Mg\n0.666952 0.833560 0.625000 Mg\n0.330674 0.163445 0.372344 Mg\n0.330674 0.163445 0.877656 Mg\n0.330674 0.667230 0.372344 Mg\n0.330674 0.667230 0.877656 Mg\n0.835014 0.167507 0.371878 Mg\n0.835014 0.167507 0.878122 Mg\n0.838095 0.669048 0.373714 Mg\n0.838095 0.669048 0.876286 Mg\n",
"nsites": 16,
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"elements": [
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"Hf",
"Mg"
],
"chemical_system": "Hf-Li-Mg",
"density": 2.423885093822973,
"density_atomic": 0.04442670560219486,
"volume": 360.1437419930938,
"volume_molar": 13.555226925722085,
"formula_full": "Li1 Hf1 Mg14",
"formula_reduced": "LiHfMg14",
"formula_anonymous": "ABC14",
"energy": -33.40558246,
"energy_per_atom": -2.08784890375,
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"updated_at": "2021-11-28T01:35:04.795000Z",
"spacegroup": 38
},
{
"id": "mp-1120799",
"created_at": "2022-09-04T14:40:34.749596Z",
"structure_string": "Ga4 Fe4 As8\n1.0\n6.346448 0.000000 0.000000\n0.000000 6.811944 0.000000\n0.000000 0.000000 7.868291\nGa Fe As\n4 4 8\ndirect\n0.007401 0.582856 0.374135 Ga\n0.507401 0.417144 0.625865 Ga\n0.507401 0.917144 0.874135 Ga\n0.007401 0.082856 0.125865 Ga\n0.001209 0.583800 0.877141 Fe\n0.501209 0.916200 0.377141 Fe\n0.001209 0.083800 0.622859 Fe\n0.501209 0.416200 0.122859 Fe\n0.406867 0.095188 0.145572 As\n0.406867 0.595188 0.354428 As\n0.906867 0.904812 0.854428 As\n0.906867 0.404812 0.645572 As\n0.857723 0.428850 0.106112 As\n0.357723 0.571150 0.893888 As\n0.357723 0.071150 0.606112 As\n0.857723 0.928850 0.393888 As\n",
"nsites": 16,
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"elements": [
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"Fe",
"As"
],
"chemical_system": "As-Fe-Ga",
"density": 5.377847439212258,
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"volume": 340.1591898234847,
"volume_molar": 12.803040762028653,
"formula_full": "Ga4 Fe4 As8",
"formula_reduced": "GaFeAs2",
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"updated_at": "2021-11-28T01:35:01.020000Z",
"spacegroup": 33
},
{
"id": "mp-6305",
"created_at": "2022-09-04T14:40:34.633870Z",
"structure_string": "K6 Ti2 O8 F6\n1.0\n4.199578 -4.766188 0.000000\n4.199578 4.766188 0.000000\n0.000000 0.000000 8.976738\nK Ti O F\n6 2 8 6\ndirect\n0.702469 0.702469 0.750000 K\n0.297531 0.297531 0.250000 K\n0.201963 0.798037 0.500000 K\n0.798037 0.201963 0.000000 K\n0.201963 0.798037 0.000000 K\n0.798037 0.201963 0.500000 K\n0.740661 0.740661 0.250000 Ti\n0.259339 0.259339 0.750000 Ti\n0.469899 0.051867 0.750000 O\n0.530101 0.948133 0.250000 O\n0.948133 0.530101 0.250000 O\n0.051867 0.469899 0.750000 O\n0.564731 0.277690 0.750000 O\n0.435269 0.722310 0.250000 O\n0.722310 0.435269 0.250000 O\n0.277690 0.564731 0.750000 O\n0.019739 0.019739 0.750000 F\n0.980261 0.980261 0.250000 F\n0.237863 0.237863 0.531937 F\n0.762137 0.762137 0.031937 F\n0.237863 0.237863 0.968063 F\n0.762137 0.762137 0.468063 F\n",
"nsites": 22,
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"elements": [
"K",
"Ti",
"O",
"F"
],
"chemical_system": "F-K-O-Ti",
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"density_atomic": 0.061220562344136635,
"volume": 359.3563854629806,
"volume_molar": 9.836794255740395,
"formula_full": "K6 Ti2 O8 F6",
"formula_reduced": "K3TiO4F3",
"formula_anonymous": "AB3C3D4",
"energy": -127.20376505000002,
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"updated_at": "2021-11-28T01:34:52.037000Z",
"spacegroup": 63
},
{
"id": "mp-624196",
"created_at": "2022-09-04T14:40:34.639493Z",
"structure_string": "Ba4 Mo24 O40\n1.0\n9.141282 0.000000 0.000000\n0.148126 9.613289 0.000000\n0.053670 0.022803 10.512122\nBa Mo O\n4 24 40\ndirect\n0.253596 0.016007 0.900940 Ba\n0.751799 0.987751 0.099909 Ba\n0.753003 0.514000 0.599513 Ba\n0.240390 0.486050 0.402063 Ba\n0.590919 0.876206 0.720903 Mo\n0.092854 0.117552 0.282951 Mo\n0.412450 0.373988 0.788017 Mo\n0.908991 0.626906 0.218485 Mo\n0.409523 0.122690 0.281394 Mo\n0.909748 0.873937 0.711399 Mo\n0.589816 0.624804 0.212630 Mo\n0.089418 0.376633 0.780783 Mo\n0.248455 0.871513 0.216038 Mo\n0.754084 0.129036 0.786900 Mo\n0.746699 0.370209 0.286819 Mo\n0.254420 0.630492 0.713871 Mo\n0.597004 0.136485 0.545286 Mo\n0.095475 0.873307 0.450498 Mo\n0.409486 0.633415 0.954039 Mo\n0.903308 0.362726 0.045362 Mo\n0.404395 0.863826 0.455764 Mo\n0.908234 0.136052 0.544660 Mo\n0.590549 0.363855 0.045798 Mo\n0.102077 0.632843 0.951798 Mo\n0.247888 0.119227 0.541429 Mo\n0.752809 0.880491 0.460040 Mo\n0.748832 0.620295 0.961555 Mo\n0.252323 0.380698 0.040265 Mo\n0.584779 0.010668 0.859709 O\n0.096635 0.993057 0.131136 O\n0.395842 0.510081 0.632421 O\n0.916819 0.489043 0.355414 O\n0.411247 0.987970 0.141411 O\n0.898620 0.010565 0.865064 O\n0.602192 0.489518 0.366612 O\n0.084473 0.510803 0.641314 O\n0.246870 0.745298 0.540957 O\n0.751815 0.266803 0.460691 O\n0.748457 0.234138 0.959748 O\n0.245311 0.754060 0.041687 O\n0.573855 0.000810 0.382184 O\n0.076359 0.997408 0.623542 O\n0.422547 0.502455 0.125253 O\n0.930035 0.501445 0.882785 O\n0.589050 0.236171 0.208957 O\n0.430588 0.996730 0.619346 O\n0.579586 0.497913 0.875604 O\n0.071562 0.504446 0.115150 O\n0.241516 0.242072 0.712381 O\n0.756864 0.758195 0.291072 O\n0.742891 0.742725 0.791918 O\n0.250860 0.253886 0.212930 O\n0.402941 0.765531 0.794085 O\n0.906581 0.239916 0.206869 O\n0.592416 0.259765 0.707361 O\n0.095032 0.740529 0.291573 O\n0.081556 0.265804 0.954862 O\n0.585649 0.743006 0.042099 O\n0.919950 0.761412 0.537938 O\n0.415905 0.232283 0.453044 O\n0.919899 0.734224 0.045491 O\n0.412950 0.255002 0.958447 O\n0.085414 0.238688 0.450097 O\n0.587372 0.763957 0.548732 O\n0.906995 0.263733 0.706734 O\n0.414277 0.740529 0.297256 O\n0.082231 0.754504 0.797257 O\n0.923509 0.003867 0.371757 O\n",
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],
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"density_atomic": 0.07361044021334107,
"volume": 923.7820043314421,
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"formula_full": "Ba4 Mo24 O40",
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"energy": -584.46795079,
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"updated_at": "2021-11-28T01:35:05.042000Z",
"spacegroup": 1
},
{
"id": "mp-759278",
"created_at": "2022-09-04T14:40:34.640562Z",
"structure_string": "Li8 Cu4 P16 O48\n1.0\n12.766260 0.000000 0.000000\n0.000000 7.716061 0.000000\n0.000000 5.218984 10.231770\nLi Cu P O\n8 4 16 48\ndirect\n0.062862 0.555635 0.594458 Li\n0.710685 0.006893 0.118432 Li\n0.562862 0.444365 0.905542 Li\n0.210685 0.993107 0.381568 Li\n0.789315 0.006893 0.618432 Li\n0.437138 0.555635 0.094458 Li\n0.289315 0.993107 0.881568 Li\n0.937138 0.444365 0.405542 Li\n0.146341 0.250537 0.987815 Cu\n0.646341 0.749463 0.512185 Cu\n0.353659 0.250537 0.487815 Cu\n0.853659 0.749463 0.012185 Cu\n0.812499 0.397545 0.680370 P\n0.416745 0.549129 0.608607 P\n0.335568 0.908397 0.153894 P\n0.916745 0.450871 0.891393 P\n0.939126 0.070070 0.128896 P\n0.312499 0.602455 0.819630 P\n0.439126 0.929930 0.371104 P\n0.835568 0.091603 0.346106 P\n0.164432 0.908397 0.653894 P\n0.560874 0.070070 0.628896 P\n0.687501 0.397545 0.180370 P\n0.060874 0.929930 0.871104 P\n0.083255 0.549129 0.108607 P\n0.664432 0.091603 0.846106 P\n0.583255 0.450871 0.391393 P\n0.187501 0.602455 0.319630 P\n0.634967 0.215178 0.911362 O\n0.363658 0.367303 0.622141 O\n0.904922 0.406244 0.596021 O\n0.846008 0.348472 0.825163 O\n0.251152 0.806938 0.277671 O\n0.855985 0.931216 0.129030 O\n0.527699 0.548850 0.651199 O\n0.738700 0.565295 0.637586 O\n0.238700 0.434705 0.862414 O\n0.027699 0.451150 0.848801 O\n0.401046 0.710862 0.459868 O\n0.346008 0.651528 0.674837 O\n0.051206 0.042659 0.100195 O\n0.437539 0.930337 0.230006 O\n0.792220 0.894941 0.434190 O\n0.292220 0.105059 0.065810 O\n0.937539 0.069663 0.269994 O\n0.404922 0.593756 0.903979 O\n0.863658 0.632697 0.877859 O\n0.551206 0.957341 0.399805 O\n0.134967 0.784822 0.588638 O\n0.901046 0.289138 0.040132 O\n0.248848 0.806938 0.777671 O\n0.644015 0.931216 0.629030 O\n0.355985 0.068784 0.370970 O\n0.751152 0.193062 0.222329 O\n0.098954 0.710862 0.959868 O\n0.865033 0.215178 0.411362 O\n0.448794 0.042659 0.600195 O\n0.136342 0.367303 0.122141 O\n0.595078 0.406244 0.096021 O\n0.062461 0.930337 0.730006 O\n0.707780 0.894941 0.934190 O\n0.207780 0.105059 0.565810 O\n0.562461 0.069663 0.769994 O\n0.948794 0.957341 0.899805 O\n0.653992 0.348472 0.325163 O\n0.598954 0.289138 0.540132 O\n0.972301 0.548850 0.151199 O\n0.761300 0.565295 0.137586 O\n0.261300 0.434705 0.362414 O\n0.472301 0.451150 0.348801 O\n0.144015 0.068784 0.870970 O\n0.748848 0.193062 0.722329 O\n0.153992 0.651528 0.174837 O\n0.095078 0.593756 0.403979 O\n0.636342 0.632697 0.377859 O\n0.365033 0.784822 0.088638 O\n",
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"formula_full": "Li8 Cu4 P16 O48",
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{
"id": "mp-1040082",
"created_at": "2022-09-04T14:40:34.647617Z",
"structure_string": "Li1 Mg30 W1 O32\n1.0\n8.533719 0.000000 0.000000\n0.000000 8.533719 0.000000\n0.000000 0.000000 8.549034\nLi Mg W O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.250759 0.241983 Mg\n0.000000 0.250759 0.758017 Mg\n0.000000 0.749241 0.241983 Mg\n0.000000 0.749241 0.758017 Mg\n0.500000 0.249781 0.248546 Mg\n0.500000 0.249781 0.751454 Mg\n0.500000 0.750219 0.248546 Mg\n0.500000 0.750219 0.751454 Mg\n0.250759 0.000000 0.241983 Mg\n0.250759 0.000000 0.758017 Mg\n0.249781 0.500000 0.248546 Mg\n0.249781 0.500000 0.751454 Mg\n0.749241 0.000000 0.241983 Mg\n0.749241 0.000000 0.758017 Mg\n0.750219 0.500000 0.248546 Mg\n0.750219 0.500000 0.751454 Mg\n0.247379 0.247379 0.000000 Mg\n0.253478 0.253478 0.500000 Mg\n0.247379 0.752621 0.000000 Mg\n0.253478 0.746522 0.500000 Mg\n0.752621 0.247379 0.000000 Mg\n0.746522 0.253478 0.500000 Mg\n0.752621 0.752621 0.000000 Mg\n0.746522 0.746522 0.500000 Mg\n0.000000 0.000000 0.500000 W\n0.257219 0.000000 0.000000 O\n0.254105 0.000000 0.500000 O\n0.251092 0.500000 0.000000 O\n0.250172 0.500000 0.500000 O\n0.742781 0.000000 0.000000 O\n0.745895 0.000000 0.500000 O\n0.748908 0.500000 0.000000 O\n0.749828 0.500000 0.500000 O\n0.249335 0.249335 0.251220 O\n0.249335 0.249335 0.748780 O\n0.249335 0.750665 0.251220 O\n0.249335 0.750665 0.748780 O\n0.750665 0.249335 0.251220 O\n0.750665 0.249335 0.748780 O\n0.750665 0.750665 0.251220 O\n0.750665 0.750665 0.748780 O\n0.000000 0.000000 0.248595 O\n0.000000 0.000000 0.751405 O\n0.000000 0.500000 0.251969 O\n0.000000 0.500000 0.748031 O\n0.500000 0.000000 0.251969 O\n0.500000 0.000000 0.748031 O\n0.500000 0.500000 0.250995 O\n0.500000 0.500000 0.749005 O\n0.000000 0.257219 0.000000 O\n0.000000 0.254105 0.500000 O\n0.000000 0.742781 0.000000 O\n0.000000 0.745895 0.500000 O\n0.500000 0.251092 0.000000 O\n0.500000 0.250172 0.500000 O\n0.500000 0.748908 0.000000 O\n0.500000 0.749828 0.500000 O\n",
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