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{
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"results": [
{
"id": "mp-554155",
"created_at": "2022-09-04T14:44:22.050368Z",
"structure_string": "K1 Sb1 P2 O8\n1.0\n8.728738 -2.426993 0.000000\n8.728738 2.426993 0.000000\n8.053922 0.000000 4.149158\nK Sb P O\n1 1 2 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sb\n0.735166 0.735166 0.735166 P\n0.264834 0.264834 0.264834 P\n0.792828 0.792828 0.792828 O\n0.396507 0.998517 0.743078 O\n0.207172 0.207172 0.207172 O\n0.998517 0.743078 0.396508 O\n0.001483 0.256922 0.603493 O\n0.743078 0.396508 0.998517 O\n0.256922 0.603492 0.001483 O\n0.603492 0.001483 0.256922 O\n",
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"spacegroup": 148
},
{
"id": "mp-1175847",
"created_at": "2022-09-04T14:44:21.379210Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n6.562359 0.000000 0.000000\n2.134746 6.289809 0.000000\n3.255313 1.065954 6.981525\nLi Mn Co O\n9 2 5 16\ndirect\n0.075451 0.433279 0.798474 Li\n0.684775 0.814047 0.937132 Li\n0.313324 0.193640 0.065888 Li\n0.922812 0.565082 0.202978 Li\n0.188318 0.317079 0.442133 Li\n0.812045 0.685442 0.559283 Li\n0.441123 0.063415 0.679759 Li\n0.561309 0.930693 0.313960 Li\n0.496234 0.503319 0.502363 Li\n0.002573 0.000238 0.996892 Mn\n0.373266 0.623216 0.875192 Mn\n0.748016 0.259062 0.738653 Co\n0.128568 0.868104 0.620307 Co\n0.875556 0.126489 0.376639 Co\n0.259157 0.739243 0.257705 Co\n0.624133 0.373413 0.133901 Co\n0.083981 0.144588 0.736011 O\n0.691643 0.529164 0.856037 O\n0.325880 0.892594 0.967505 O\n0.966345 0.259029 0.089696 O\n0.206343 0.023580 0.347730 O\n0.843801 0.388968 0.480362 O\n0.444329 0.777762 0.615679 O\n0.579003 0.655234 0.214033 O\n0.045869 0.731357 0.909014 O\n0.683681 0.098269 0.017058 O\n0.291097 0.480580 0.142750 O\n0.924429 0.854645 0.261910 O\n0.149725 0.609959 0.527367 O\n0.794356 0.977039 0.653233 O\n0.408129 0.364564 0.793271 O\n0.554730 0.216907 0.387084 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.166204027825991,
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"volume": 288.169319078695,
"volume_molar": 5.423113131891421,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.6925269,
"energy_per_atom": -6.521641465625,
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"updated_at": "2021-11-28T01:36:39.239000Z",
"spacegroup": 1
},
{
"id": "mp-1192471",
"created_at": "2022-09-04T14:44:21.385971Z",
"structure_string": "Pd2 C8 Br8 N4\n1.0\n0.000000 -6.898606 0.000000\n-7.713228 3.449303 0.000000\n0.000000 0.000000 -11.328325\nPd C Br N\n2 8 8 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.653760 0.239395 0.891493 C\n0.585635 0.239395 0.108507 C\n0.085635 0.239395 0.391493 C\n0.153760 0.239395 0.608507 C\n0.346240 0.760605 0.108507 C\n0.414365 0.760605 0.891493 C\n0.914365 0.760605 0.608507 C\n0.846240 0.760605 0.391493 C\n0.159178 0.318356 0.000000 Br\n0.659178 0.318356 0.500000 Br\n0.840822 0.681644 0.000000 Br\n0.340822 0.681644 0.500000 Br\n0.248123 0.000000 0.152703 Br\n0.751877 0.000000 0.847297 Br\n0.251877 0.000000 0.652703 Br\n0.748123 0.000000 0.347297 Br\n0.610301 0.220603 0.000000 N\n0.110301 0.220603 0.500000 N\n0.389699 0.779397 0.000000 N\n0.889699 0.779397 0.500000 N\n",
"nsites": 22,
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"elements": [
"Pd",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-N-Pd",
"density": 2.7663005099584708,
"density_atomic": 0.03649719347822049,
"volume": 602.7860748560951,
"volume_molar": 16.500284504324096,
"formula_full": "Pd2 C8 Br8 N4",
"formula_reduced": "PdC4(Br2N)2",
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"updated_at": "2021-11-28T01:36:34.053000Z",
"spacegroup": 64
},
{
"id": "mp-686742",
"created_at": "2022-09-04T14:44:21.392972Z",
"structure_string": "Ag2 H21 N7 Cl2 O8\n1.0\n8.185132 0.000000 0.000000\n-0.368573 8.706377 0.000000\n-0.478934 -4.146816 8.071937\nAg H N Cl O\n2 21 7 2 8\ndirect\n0.256464 0.053399 0.038966 Ag\n0.726572 0.051885 0.043147 Ag\n0.140570 0.843264 0.229897 H\n0.334353 0.814649 0.188400 H\n0.179117 0.836015 0.718521 H\n0.325828 0.383118 0.122883 H\n0.597993 0.542849 0.637133 H\n0.809829 0.744478 0.791435 H\n0.159804 0.377741 0.215954 H\n0.344604 0.385045 0.305607 H\n0.669867 0.731147 0.914145 H\n0.834109 0.621929 0.885006 H\n0.814010 0.220219 0.353449 H\n0.614275 0.216278 0.340344 H\n0.711996 0.294105 0.629680 H\n0.588788 0.387464 0.787071 H\n0.841292 0.969132 0.514928 H\n0.108714 0.184935 0.509641 H\n0.704886 0.055453 0.354666 H\n0.726924 0.305179 0.987098 H\n0.844645 0.186243 0.842325 H\n0.644395 0.147765 0.798158 H\n0.823995 0.876062 0.449945 H\n0.254269 0.907597 0.246718 N\n0.255766 0.839171 0.814709 N\n0.748815 0.664047 0.827692 N\n0.274727 0.333921 0.194625 N\n0.595403 0.292053 0.667190 N\n0.710193 0.138911 0.304227 N\n0.735992 0.179956 0.890036 N\n0.801390 0.535874 0.207742 Cl\n0.275146 0.551937 0.839299 Cl\n0.511142 0.478112 0.543600 O\n0.125926 0.607014 0.934342 O\n0.424041 0.552028 0.949292 O\n0.045732 0.286382 0.503686 O\n0.944341 0.337685 0.625678 O\n0.481478 0.306264 0.563892 O\n0.308922 0.973145 0.421031 O\n0.188088 0.040683 0.519710 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Ag-Cl-H-N-O",
"density": 1.5410915287511067,
"density_atomic": 0.06953749972288124,
"volume": 575.2291951739248,
"volume_molar": 8.660277956497222,
"formula_full": "Ag2 H21 N7 Cl2 O8",
"formula_reduced": "Ag2H21N7(ClO4)2",
"formula_anonymous": "A2B2C7D8E21",
"energy": -190.6779672,
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"updated_at": "2021-11-28T01:36:33.665000Z",
"spacegroup": 1
},
{
"id": "mp-1176887",
"created_at": "2022-09-04T14:44:21.398394Z",
"structure_string": "Li7 Fe3 O10\n1.0\n5.078895 0.000000 0.000000\n-1.019396 4.996403 0.000000\n-2.203991 -2.342582 7.227908\nLi Fe O\n7 3 10\ndirect\n0.592251 0.000260 0.680967 Li\n0.203339 0.494205 0.410351 Li\n0.391617 0.511919 0.773506 Li\n0.000000 0.000000 0.500000 Li\n0.608383 0.488081 0.226494 Li\n0.796661 0.505795 0.589649 Li\n0.407749 0.999740 0.319033 Li\n0.000000 0.500000 0.000000 Fe\n0.202933 0.005733 0.889528 Fe\n0.797067 0.994267 0.110472 Fe\n0.815713 0.754983 0.878786 O\n0.626979 0.230738 0.966226 O\n0.413483 0.270644 0.546491 O\n0.974275 0.750741 0.225050 O\n0.194728 0.783110 0.671045 O\n0.805272 0.216890 0.328955 O\n0.025725 0.249259 0.774950 O\n0.586517 0.729356 0.453509 O\n0.373021 0.769262 0.033774 O\n0.184287 0.245017 0.121214 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Fe-Li-O",
"density": 3.405113522067953,
"density_atomic": 0.10904121569281307,
"volume": 183.41688390877144,
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"formula_full": "Li7 Fe3 O10",
"formula_reduced": "Li7Fe3O10",
"formula_anonymous": "A3B7C10",
"energy": -123.68856284,
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"updated_at": "2021-11-28T01:36:41.002000Z",
"spacegroup": 2
},
{
"id": "mp-774404",
"created_at": "2022-09-04T14:44:21.402574Z",
"structure_string": "Li2 V2 P6 H2 O20\n1.0\n4.122595 6.039691 0.000000\n-4.122595 6.039691 0.000000\n0.000000 3.563658 8.907340\nLi V P H O\n2 2 6 2 20\ndirect\n0.424103 0.575897 0.750000 Li\n0.575897 0.424103 0.250000 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.862610 0.717780 0.796368 P\n0.717780 0.862610 0.296368 P\n0.868070 0.131930 0.750000 P\n0.131930 0.868070 0.250000 P\n0.282220 0.137390 0.703632 P\n0.137390 0.282220 0.203632 P\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.902434 0.930064 0.700198 O\n0.930064 0.902434 0.200198 O\n0.658765 0.761042 0.906906 O\n0.854897 0.619758 0.680983 O\n0.395107 0.959073 0.624583 O\n0.761042 0.658765 0.406906 O\n0.619758 0.854897 0.180983 O\n0.841373 0.295177 0.610677 O\n0.959073 0.395107 0.124583 O\n0.704823 0.158627 0.889323 O\n0.295177 0.841373 0.110677 O\n0.040927 0.604893 0.875417 O\n0.158627 0.704823 0.389323 O\n0.380242 0.145103 0.819017 O\n0.238958 0.341235 0.593094 O\n0.604893 0.040927 0.375417 O\n0.145103 0.380242 0.319017 O\n0.341235 0.238958 0.093094 O\n0.069936 0.097566 0.799802 O\n0.097566 0.069936 0.299802 O\n",
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"density": 2.3345316252931725,
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"volume": 443.5712787977793,
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"formula_full": "Li2 V2 P6 H2 O20",
"formula_reduced": "LiVP3HO10",
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"spacegroup": 15
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{
"id": "mp-771349",
"created_at": "2022-09-04T14:44:21.410604Z",
"structure_string": "K2 Li2 W6 O18\n1.0\n7.582779 -0.024230 0.010463\n-3.812541 6.630981 -0.015861\n0.010791 -0.012681 7.918885\nK Li W O\n2 2 6 18\ndirect\n0.007863 0.003827 0.269173 K\n0.003187 0.995937 0.767643 K\n0.407088 0.700613 0.250383 Li\n0.701058 0.302991 0.749284 Li\n0.004989 0.501772 0.498173 W\n0.004654 0.502869 0.002119 W\n0.502743 0.497828 0.501543 W\n0.501188 0.496417 0.997763 W\n0.498752 0.999586 0.000130 W\n0.497947 0.999936 0.500181 W\n0.001775 0.502187 0.749916 O\n0.212016 0.791824 0.006142 O\n0.215525 0.795379 0.492709 O\n0.214143 0.422773 0.495775 O\n0.500067 0.996966 0.745900 O\n0.217499 0.423375 0.004245 O\n0.573627 0.782206 0.013292 O\n0.573616 0.790951 0.486501 O\n0.503792 0.502704 0.754414 O\n0.499601 0.495721 0.246296 O\n0.419625 0.213602 0.991405 O\n0.420003 0.204435 0.508328 O\n0.788557 0.576550 0.504260 O\n0.501447 0.002883 0.253611 O\n0.784411 0.576249 0.995349 O\n0.785458 0.213120 0.988269 O\n0.781812 0.208779 0.511221 O\n0.002393 0.498520 0.249758 O\n",
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],
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"density": 6.196581341877004,
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"volume": 397.4382495773365,
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"formula_full": "K2 Li2 W6 O18",
"formula_reduced": "KLi(WO3)3",
"formula_anonymous": "ABC3D9",
"energy": -234.27090196,
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"spacegroup": 9
},
{
"id": "mp-4364",
"created_at": "2022-09-04T14:44:21.552389Z",
"structure_string": "Nb1 Ga1 Co2\n1.0\n0.000000 2.986469 2.986469\n2.986469 0.000000 2.986469\n2.986469 2.986469 0.000000\nNb Ga Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n",
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],
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"formula_full": "Nb1 Ga1 Co2",
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"formula_anonymous": "ABC2",
"energy": -28.63868411,
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"spacegroup": 225
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{
"id": "mp-1199834",
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}