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{
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"results": [
{
"id": "mp-1233213",
"created_at": "2022-09-04T14:39:34.675347Z",
"structure_string": "Sr2 Mg1 V2 Si4 O14\n1.0\n5.210629 0.000000 -1.892848\n-0.071881 7.284862 -0.197873\n-0.086127 -0.214170 7.881241\nSr Mg V Si O\n2 1 2 4 14\ndirect\n0.196859 0.769828 0.388020 Sr\n0.808839 0.230172 0.611980 Sr\n0.126775 0.500000 0.000000 Mg\n0.873374 0.764768 0.771295 V\n0.102079 0.235232 0.228705 V\n0.406334 0.469727 0.778032 Si\n0.628301 0.530273 0.221968 Si\n0.605717 0.975550 0.216611 Si\n0.389107 0.024450 0.783389 Si\n0.643690 0.755722 0.273788 O\n0.369902 0.244278 0.726212 O\n0.528636 0.500000 0.000000 O\n0.500939 0.000000 0.000000 O\n0.587961 0.555889 0.680218 O\n0.907742 0.444111 0.319782 O\n0.405526 0.062161 0.308601 O\n0.096925 0.937839 0.691399 O\n0.984780 0.256185 0.980972 O\n0.003809 0.743815 0.019028 O\n0.895209 0.060096 0.316544 O\n0.578665 0.939904 0.683456 O\n0.112263 0.539973 0.734443 O\n0.377820 0.460027 0.265557 O\n",
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{
"id": "mp-674349",
"created_at": "2022-09-04T14:40:43.845194Z",
"structure_string": "V10 Co2 O30\n1.0\n4.610503 8.721749 0.000000\n-4.610503 8.721749 0.000000\n0.000000 5.061277 7.926581\nV Co O\n10 2 30\ndirect\n0.031006 0.001928 0.655191 V\n0.178993 0.226465 0.230035 V\n0.320167 0.279151 0.638166 V\n0.467296 0.483081 0.692652 V\n0.516919 0.532704 0.307348 V\n0.720849 0.679833 0.361834 V\n0.147418 0.541056 0.347442 V\n0.458944 0.852582 0.652558 V\n0.773535 0.821007 0.769965 V\n0.998072 0.968994 0.344809 V\n0.036138 0.639802 0.981979 Co\n0.360198 0.963862 0.018021 Co\n0.366826 0.082316 0.123031 O\n0.068320 0.092773 0.401596 O\n0.138092 0.021364 0.132854 O\n0.232300 0.301705 0.312472 O\n0.815812 0.081912 0.309078 O\n0.918088 0.184188 0.690922 O\n0.064051 0.413059 0.098356 O\n0.120457 0.632369 0.111218 O\n0.434920 0.091259 0.587083 O\n0.564362 0.301782 0.815484 O\n0.698218 0.435638 0.184516 O\n0.908741 0.565080 0.412917 O\n0.259930 0.225157 0.846485 O\n0.363823 0.488268 0.280266 O\n0.445819 0.398414 0.552146 O\n0.601586 0.554181 0.447854 O\n0.511732 0.636177 0.719734 O\n0.774843 0.740070 0.153515 O\n0.130566 0.422002 0.566616 O\n0.252413 0.575603 0.793374 O\n0.424397 0.747587 0.206626 O\n0.577998 0.869434 0.433384 O\n0.917684 0.633174 0.876969 O\n0.068723 0.748194 0.362880 O\n0.251806 0.931277 0.637120 O\n0.698295 0.767700 0.687528 O\n0.978636 0.861908 0.867146 O\n0.907227 0.931680 0.598404 O\n0.586941 0.935949 0.901644 O\n0.367631 0.879543 0.888782 O\n",
"nsites": 42,
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"elements": [
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],
"chemical_system": "Co-O-V",
"density": 2.8842456589543874,
"density_atomic": 0.0658842338070149,
"volume": 637.4818006235678,
"volume_molar": 9.140488417365193,
"formula_full": "V10 Co2 O30",
"formula_reduced": "V5CoO15",
"formula_anonymous": "AB5C15",
"energy": -334.51980935999995,
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"updated_at": "2021-11-28T01:35:09.568000Z",
"spacegroup": 5
},
{
"id": "mp-1204179",
"created_at": "2022-09-04T14:41:29.742913Z",
"structure_string": "Eu20 Mn12 Sb26\n1.0\n-7.182632 -9.436030 2.341547\n-7.182632 9.436030 2.341547\n-0.009988 0.000000 -12.227794\nEu Mn Sb\n20 12 26\ndirect\n0.621331 0.378669 0.500000 Eu\n0.378669 0.621331 0.500000 Eu\n0.610434 0.389566 -0.000000 Eu\n0.389566 0.610434 -0.000000 Eu\n0.938695 0.701528 0.172255 Eu\n0.701528 0.938695 0.172255 Eu\n0.061305 0.298472 0.827745 Eu\n0.298472 0.061305 0.827745 Eu\n0.853118 0.617146 0.832010 Eu\n0.617146 0.853118 0.832010 Eu\n0.146882 0.382854 0.167990 Eu\n0.382854 0.146882 0.167990 Eu\n0.875934 0.628445 0.501075 Eu\n0.628445 0.875934 0.501075 Eu\n0.124066 0.371555 0.498925 Eu\n0.371555 0.124066 0.498925 Eu\n0.152051 0.847949 0.000000 Eu\n0.847949 0.152051 0.000000 Eu\n0.127672 0.872328 0.500000 Eu\n0.872328 0.127672 0.500000 Eu\n0.663230 0.663230 0.229664 Mn\n0.336770 0.336770 0.770336 Mn\n0.548248 0.548248 0.775238 Mn\n0.451752 0.451752 0.224762 Mn\n0.773463 0.314101 0.775509 Mn\n0.314101 0.773463 0.775509 Mn\n0.226537 0.685899 0.224491 Mn\n0.685899 0.226537 0.224491 Mn\n0.886077 0.424841 0.224032 Mn\n0.424841 0.886077 0.224032 Mn\n0.113923 0.575159 0.775968 Mn\n0.575159 0.113923 0.775968 Mn\n0.653651 0.653651 0.629085 Sb\n0.346349 0.346349 0.370915 Sb\n0.684416 0.455189 0.276518 Sb\n0.455189 0.684416 0.276518 Sb\n0.315584 0.544811 0.723482 Sb\n0.544811 0.315584 0.723482 Sb\n0.666608 0.666608 0.002737 Sb\n0.333392 0.333392 0.997263 Sb\n0.887062 0.418341 -0.000033 Sb\n0.418341 0.887062 -0.000033 Sb\n0.112938 0.581659 0.000033 Sb\n0.581659 0.112938 0.000033 Sb\n0.089450 0.773845 0.722662 Sb\n0.773845 0.089450 0.722662 Sb\n0.910550 0.226155 0.277338 Sb\n0.226155 0.910550 0.277338 Sb\n0.842035 0.842035 0.378160 Sb\n0.157965 0.157965 0.621840 Sb\n0.932999 0.932999 0.752049 Sb\n0.067001 0.067001 0.247951 Sb\n0.897688 0.897688 0.999706 Sb\n0.102312 0.102312 0.000294 Sb\n0.908884 0.412270 0.639920 Sb\n0.412270 0.908884 0.639920 Sb\n0.091116 0.587730 0.360080 Sb\n0.587730 0.091116 0.360080 Sb\n",
"nsites": 58,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Eu-Mn-Sb",
"density": 6.875091215779376,
"density_atomic": 0.034983344252594153,
"volume": 1657.9318312513553,
"volume_molar": 17.214308376345222,
"formula_full": "Eu20 Mn12 Sb26",
"formula_reduced": "Eu10Mn6Sb13",
"formula_anonymous": "A6B10C13",
"energy": -461.95884452,
"energy_per_atom": -7.964807664137931,
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"updated_at": "2021-11-28T01:35:22.485000Z",
"spacegroup": 12
},
{
"id": "mp-1516831",
"created_at": "2022-09-04T14:47:43.636426Z",
"structure_string": "K1 Zr2 Bi1 O6\n1.0\n0.000000 -4.187508 -4.187508\n4.187508 -0.000000 -4.187508\n4.187508 -4.187508 0.000000\nK Zr Bi O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 -0.000000 -0.000000 Bi\n0.000000 -0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 10,
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"elements": [
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"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-K-O-Zr",
"density": 5.953461948700734,
"density_atomic": 0.06809309197786309,
"volume": 146.85777528285803,
"volume_molar": 8.843981944538198,
"formula_full": "K1 Zr2 Bi1 O6",
"formula_reduced": "KZr2BiO6",
"formula_anonymous": "ABC2D6",
"energy": -79.64809529,
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"updated_at": "2021-11-28T01:38:21.126000Z",
"spacegroup": 225
},
{
"id": "mp-1003735",
"created_at": "2022-09-04T14:48:22.319118Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n2.849653 5.021087 0.000000\n-2.849653 5.021087 0.000000\n0.000000 0.068393 10.901581\nMg Mn O\n4 8 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.987561 0.012439 0.250000 Mg\n0.012439 0.987561 0.750000 Mg\n0.279753 0.776225 0.017652 Mn\n0.223775 0.720247 0.482348 Mn\n0.720247 0.223775 0.982348 Mn\n0.776225 0.279753 0.517652 Mn\n0.714466 0.731311 0.764487 Mn\n0.731311 0.714466 0.264487 Mn\n0.268689 0.285534 0.735513 Mn\n0.285534 0.268689 0.235513 Mn\n0.914282 0.886329 0.079134 O\n0.886329 0.914282 0.579134 O\n0.374371 0.403051 0.065981 O\n0.403051 0.374371 0.565981 O\n0.378226 0.903876 0.183040 O\n0.378185 0.920685 0.672139 O\n0.920685 0.378185 0.172139 O\n0.903876 0.378226 0.683040 O\n0.625629 0.596949 0.934019 O\n0.596949 0.625629 0.434019 O\n0.085718 0.113671 0.920866 O\n0.113671 0.085718 0.420866 O\n0.079315 0.621815 0.827861 O\n0.096124 0.621774 0.316960 O\n0.621774 0.096124 0.816960 O\n0.621815 0.079315 0.327861 O\n",
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],
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"volume": 311.9673958157907,
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"formula_full": "Mg4 Mn8 O16",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:39:37.248000Z",
"spacegroup": 15
},
{
"id": "mp-1224517",
"created_at": "2022-09-04T14:48:24.528985Z",
"structure_string": "Hf3 Te1 Pb4 O13\n1.0\n6.602029 -3.819071 0.000000\n6.602029 3.819071 0.000000\n4.392813 0.000000 6.235005\nHf Te Pb O\n3 1 4 13\ndirect\n0.998955 0.500620 0.500620 Hf\n0.500620 0.500620 0.998955 Hf\n0.500620 0.998955 0.500620 Hf\n0.500350 0.500350 0.500350 Te\n0.500178 0.000752 0.000752 Pb\n0.000752 0.000752 0.500178 Pb\n0.000752 0.500178 0.000752 Pb\n0.999431 0.999431 0.999431 Pb\n0.171854 0.568898 0.171854 O\n0.566241 0.196748 0.566241 O\n0.171854 0.171854 0.568898 O\n0.566241 0.566241 0.196748 O\n0.568898 0.171854 0.171854 O\n0.196748 0.566241 0.566241 O\n0.824629 0.436284 0.824629 O\n0.435766 0.802413 0.435766 O\n0.824629 0.824629 0.436284 O\n0.435766 0.435766 0.802413 O\n0.436284 0.824629 0.824629 O\n0.802413 0.435766 0.435766 O\n0.872016 0.872016 0.872016 O\n",
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"formula_full": "Hf3 Te1 Pb4 O13",
"formula_reduced": "Hf3TePb4O13",
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},
{
"id": "mp-1219131",
"created_at": "2022-09-04T14:48:17.425308Z",
"structure_string": "Re2 Si8 Mo1 W1\n1.0\n3.207075 0.000000 0.000000\n0.000000 3.207075 0.000000\n0.000000 0.000000 15.753259\nRe Si Mo W\n2 8 1 1\ndirect\n0.000000 0.000000 0.501500 Re\n0.500000 0.500000 0.748216 Re\n0.500000 0.500000 0.083313 Si\n0.000000 0.000000 0.333265 Si\n0.500000 0.500000 0.584093 Si\n0.000000 0.000000 0.834843 Si\n0.000000 0.000000 0.166009 Si\n0.500000 0.500000 0.415452 Si\n0.000000 0.000000 0.666101 Si\n0.500000 0.500000 0.917171 Si\n0.000000 0.000000 0.998434 Mo\n0.500000 0.500000 0.251603 W\n",
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"W"
],
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"formula_full": "Re2 Si8 Mo1 W1",
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{
"id": "mp-758345",
"created_at": "2022-09-04T14:41:03.874115Z",
"structure_string": "Li4 V7 P6 O24\n1.0\n7.110019 5.374345 0.000000\n-7.110019 5.374345 0.000000\n0.000000 1.938206 6.421679\nLi V P O\n4 7 6 24\ndirect\n0.995958 0.995958 0.491750 Li\n0.630681 0.630681 0.588460 Li\n0.326474 0.546939 0.490146 Li\n0.546939 0.326474 0.490146 Li\n0.356920 0.992770 0.193885 V\n0.992770 0.356920 0.193885 V\n0.996308 0.996308 0.997583 V\n0.673365 0.316610 0.004923 V\n0.316610 0.673365 0.004923 V\n0.637468 0.998023 0.814150 V\n0.998023 0.637468 0.814150 V\n0.279636 0.907604 0.698040 P\n0.907604 0.279636 0.698040 P\n0.663869 0.663869 0.088994 P\n0.325165 0.325165 0.916717 P\n0.716427 0.078415 0.308466 P\n0.078415 0.716427 0.308466 P\n0.949932 0.647174 0.511182 O\n0.647174 0.949932 0.511182 O\n0.940523 0.369673 0.877735 O\n0.369673 0.940523 0.877735 O\n0.793325 0.793325 0.137852 O\n0.569312 0.743386 0.944803 O\n0.743386 0.569312 0.944803 O\n0.896076 0.096776 0.755035 O\n0.096776 0.896076 0.755035 O\n0.268938 0.727137 0.699615 O\n0.727137 0.268938 0.699615 O\n0.550397 0.550397 0.292850 O\n0.439893 0.439893 0.712012 O\n0.717969 0.255858 0.314531 O\n0.255858 0.717969 0.314531 O\n0.900920 0.099428 0.240690 O\n0.099428 0.900920 0.240690 O\n0.197290 0.197290 0.864844 O\n0.623432 0.045565 0.132176 O\n0.045565 0.623432 0.132176 O\n0.244757 0.422676 0.052581 O\n0.422676 0.244757 0.052581 O\n0.363117 0.034885 0.496915 O\n0.034885 0.363117 0.496915 O\n",
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{
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{
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"formula_full": "Ba6 V8 Pb2 O28",
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{
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"structure_string": "Ba1 Er1 Mn2 O5\n1.0\n3.972543 0.000000 0.000000\n0.000000 3.972543 0.000000\n0.000000 0.000000 7.766540\nBa Er Mn O\n1 1 2 5\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.747110 Mn\n0.000000 0.000000 0.252890 Mn\n0.000000 0.500000 0.745307 O\n0.500000 0.000000 0.745307 O\n0.000000 0.500000 0.254693 O\n0.500000 0.000000 0.254693 O\n0.000000 0.000000 0.500000 O\n",
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"density_atomic": 0.07343070746629349,
"volume": 122.56452798212823,
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"formula_full": "Ba1 Er1 Mn2 O5",
"formula_reduced": "BaErMn2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 123
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{
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"created_at": "2022-09-04T14:44:29.250473Z",
"structure_string": "Mg2 Ga2 Mo8 O14\n1.0\n-2.914931 3.071888 8.451945\n2.914931 -3.071888 8.451945\n2.914931 3.071888 -8.451945\nMg Ga Mo O\n2 2 8 14\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.694894 0.944894 0.750000 Ga\n0.305106 0.055106 0.250000 Ga\n0.112854 0.634885 0.022031 Mo\n0.226802 0.746380 0.480422 Mo\n0.773198 0.253620 0.519578 Mo\n0.887146 0.365115 0.977969 Mo\n0.234042 0.253620 0.980422 Mo\n0.112854 0.090823 0.477969 Mo\n0.887146 0.909177 0.522031 Mo\n0.765958 0.746380 0.019578 Mo\n0.242140 0.249664 0.507524 O\n0.242140 0.734617 0.992476 O\n0.610272 0.127104 0.483169 O\n0.099287 0.624062 0.475224 O\n0.900713 0.375938 0.524776 O\n0.856065 0.872896 0.983169 O\n0.389728 0.872896 0.516831 O\n0.143935 0.127104 0.016831 O\n0.500000 0.000000 0.000000 O\n0.648838 0.624062 0.024776 O\n0.351162 0.375938 0.975224 O\n0.757860 0.750336 0.492476 O\n0.757860 0.265383 0.007524 O\n0.500000 0.500000 0.500000 O\n",
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}