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{
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"results": [
{
"id": "mp-1215921",
"created_at": "2022-09-04T14:39:06.719128Z",
"structure_string": "Y1 Ho1 C4\n1.0\n2.590801 -3.100822 0.000000\n2.590801 3.100822 0.000000\n0.000000 0.000000 5.181218\nY Ho C\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ho\n0.604837 0.395163 0.000000 C\n0.105169 0.894831 0.500000 C\n0.894831 0.105169 0.500000 C\n0.395163 0.604837 0.000000 C\n",
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{
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"structure_string": "Li2 V2 Cr2 P4 H4 O20\n1.0\n5.198991 0.000000 0.000000\n-1.966875 7.097018 0.000000\n-1.724824 -2.875271 9.630246\nLi V Cr P H O\n2 2 2 4 4 20\ndirect\n0.351937 0.128903 0.279266 Li\n0.648063 0.871097 0.720734 Li\n0.744578 0.743201 0.248848 V\n0.255422 0.256799 0.751152 V\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.613764 0.286047 0.063029 P\n0.888858 0.207513 0.437384 P\n0.111142 0.792487 0.562616 P\n0.386236 0.713953 0.936971 P\n0.148754 0.794992 0.142304 H\n0.329991 0.682738 0.345508 H\n0.670009 0.317262 0.654492 H\n0.851246 0.205008 0.857696 H\n0.790669 0.157429 0.088018 O\n0.344771 0.219164 0.108408 O\n0.439468 0.715962 0.093434 O\n0.777369 0.502432 0.152984 O\n0.709536 0.998939 0.342052 O\n0.034842 0.881296 0.162520 O\n0.163832 0.269306 0.396920 O\n0.481010 0.625189 0.343777 O\n0.711997 0.339547 0.411728 O\n0.063052 0.789359 0.406143 O\n0.936948 0.210641 0.593857 O\n0.288003 0.660453 0.588272 O\n0.518990 0.374811 0.656223 O\n0.836168 0.730694 0.603080 O\n0.965158 0.118704 0.837480 O\n0.290464 0.001061 0.657948 O\n0.222631 0.497568 0.847016 O\n0.560532 0.284038 0.906566 O\n0.655229 0.780836 0.891592 O\n0.209331 0.842571 0.911982 O\n",
"nsites": 34,
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"elements": [
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"chemical_system": "Cr-H-Li-O-P-V",
"density": 3.120181897984214,
"density_atomic": 0.09568559539800041,
"volume": 355.3303907299564,
"volume_molar": 6.29367538023999,
"formula_full": "Li2 V2 Cr2 P4 H4 O20",
"formula_reduced": "LiVCrP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -257.14288188,
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"energy_uncorrected": -236.00488188,
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"updated_at": "2021-11-28T01:34:27.402000Z",
"spacegroup": 2
},
{
"id": "mp-1222030",
"created_at": "2022-09-04T14:39:06.828826Z",
"structure_string": "Mn4 Fe8 P8 O44\n1.0\n7.920902 0.000000 0.000000\n0.000000 9.546198 0.000000\n0.000000 0.000000 9.673987\nMn Fe P O\n4 8 8 44\ndirect\n0.359977 0.383333 0.792417 Mn\n0.859977 0.616667 0.207583 Mn\n0.859977 0.116667 0.292417 Mn\n0.359977 0.883333 0.707583 Mn\n0.998810 0.502081 0.751235 Fe\n0.498810 0.997919 0.251235 Fe\n0.498810 0.497919 0.248765 Fe\n0.998810 0.002081 0.748765 Fe\n0.137492 0.879884 0.208131 Fe\n0.637492 0.120116 0.791869 Fe\n0.637492 0.620116 0.708131 Fe\n0.137492 0.379884 0.291869 Fe\n0.715439 0.392416 0.961752 P\n0.784713 0.892806 0.043079 P\n0.215439 0.607584 0.038248 P\n0.284713 0.107194 0.956921 P\n0.284713 0.607194 0.543079 P\n0.215439 0.107584 0.461752 P\n0.784713 0.392806 0.456921 P\n0.715439 0.892416 0.538248 P\n0.582569 0.470755 0.866578 O\n0.912778 0.975097 0.140279 O\n0.082569 0.529245 0.133422 O\n0.412778 0.024903 0.859721 O\n0.412778 0.524903 0.640279 O\n0.082569 0.029245 0.366578 O\n0.912778 0.475097 0.359721 O\n0.582569 0.970755 0.633422 O\n0.674777 0.234285 0.962055 O\n0.831398 0.734462 0.049967 O\n0.174777 0.765715 0.037945 O\n0.331398 0.265538 0.950033 O\n0.331398 0.765538 0.549967 O\n0.174777 0.265715 0.462055 O\n0.831398 0.234462 0.450033 O\n0.674777 0.734285 0.537945 O\n0.857299 0.149492 0.720606 O\n0.650363 0.654553 0.275205 O\n0.357299 0.850508 0.279394 O\n0.150363 0.345447 0.724795 O\n0.150363 0.845447 0.775205 O\n0.357299 0.350508 0.220606 O\n0.650363 0.154553 0.224795 O\n0.857299 0.649492 0.779394 O\n0.489319 0.255891 0.704922 O\n0.989319 0.744109 0.295078 O\n0.489319 0.755891 0.795078 O\n0.989319 0.244109 0.204922 O\n0.709405 0.453614 0.111307 O\n0.796828 0.943176 0.891628 O\n0.209405 0.546386 0.888693 O\n0.296828 0.056824 0.108372 O\n0.296828 0.556824 0.391628 O\n0.209405 0.046386 0.611307 O\n0.796828 0.443176 0.608372 O\n0.709405 0.953614 0.388693 O\n0.895503 0.411942 0.904468 O\n0.603330 0.913622 0.094439 O\n0.395503 0.588058 0.095532 O\n0.103330 0.086378 0.905561 O\n0.103330 0.586378 0.594439 O\n0.395503 0.088058 0.404468 O\n0.603330 0.413622 0.405561 O\n0.895503 0.911942 0.595532 O\n",
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"elements": [
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"density": 3.6735933486325965,
"density_atomic": 0.08749221198172694,
"volume": 731.4936786987009,
"volume_molar": 6.883059215896548,
"formula_full": "Mn4 Fe8 P8 O44",
"formula_reduced": "MnFe2P2O11",
"formula_anonymous": "AB2C2D11",
"energy": -487.24668271,
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"updated_at": "2021-11-28T01:34:37.844000Z",
"spacegroup": 33
},
{
"id": "mp-1174271",
"created_at": "2022-09-04T14:39:06.840776Z",
"structure_string": "Li7 Co5 O12\n1.0\n2.878531 0.000000 0.000000\n-1.375095 7.529383 0.000000\n-0.067319 -1.818874 9.611579\nLi Co O\n7 5 12\ndirect\n0.750535 0.000269 0.748532 Li\n0.249465 0.999731 0.251468 Li\n0.421253 0.340644 0.755618 Li\n0.921032 0.336341 0.247830 Li\n0.078968 0.663659 0.752170 Li\n0.578747 0.659356 0.244382 Li\n0.000000 0.500000 0.000000 Li\n0.670510 0.825830 0.997544 Co\n0.329490 0.174170 0.002456 Co\n0.165492 0.833114 0.497664 Co\n0.834508 0.166886 0.502336 Co\n0.500000 0.500000 0.500000 Co\n0.215762 0.920019 0.895938 O\n0.708640 0.917163 0.378857 O\n0.872984 0.235371 0.891140 O\n0.380627 0.259538 0.387786 O\n0.552187 0.609323 0.884516 O\n0.040226 0.580465 0.383304 O\n0.291360 0.082837 0.621143 O\n0.784238 0.079981 0.104062 O\n0.959774 0.419535 0.616696 O\n0.447813 0.390677 0.115484 O\n0.619373 0.740462 0.612214 O\n0.127016 0.764629 0.108860 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Li7 Co5 O12",
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{
"id": "mp-29710",
"created_at": "2022-09-04T14:39:06.651205Z",
"structure_string": "Hg8 P4 O14\n1.0\n5.038419 0.000000 0.000000\n0.000000 9.486930 0.000000\n0.000000 7.954279 9.556487\nHg P O\n8 4 14\ndirect\n0.439930 0.056286 0.122891 Hg\n0.439930 0.943714 0.377109 Hg\n0.560070 0.943714 0.877109 Hg\n0.560070 0.056286 0.622891 Hg\n0.676229 0.575368 0.402061 Hg\n0.676229 0.424632 0.097939 Hg\n0.323771 0.424632 0.597939 Hg\n0.323771 0.575368 0.902061 Hg\n0.097878 0.294865 0.355945 P\n0.097878 0.705135 0.144055 P\n0.902122 0.705135 0.644055 P\n0.902122 0.294865 0.855945 P\n0.341179 0.833727 0.078319 O\n0.341179 0.166273 0.421681 O\n0.658821 0.166273 0.921681 O\n0.658821 0.833727 0.578319 O\n0.232346 0.500000 0.250000 O\n0.767654 0.500000 0.750000 O\n0.924613 0.290312 0.458542 O\n0.924613 0.709688 0.041458 O\n0.075387 0.709688 0.541458 O\n0.075387 0.290312 0.958542 O\n0.955112 0.258416 0.266063 O\n0.955112 0.741584 0.233937 O\n0.044888 0.258416 0.766063 O\n0.044888 0.741584 0.733937 O\n",
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"volume": 456.79174881874366,
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"formula_full": "Hg8 P4 O14",
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{
"id": "mp-29820",
"created_at": "2022-09-04T14:39:06.659311Z",
"structure_string": "Ca24 Al16 N32\n1.0\n5.856336 0.000000 0.000000\n0.000000 10.751856 0.000000\n0.000000 0.000000 15.916668\nCa Al N\n24 16 32\ndirect\n0.722547 0.766779 0.558861 Ca\n0.222547 0.733221 0.441139 Ca\n0.277453 0.266779 0.941139 Ca\n0.777453 0.233221 0.058861 Ca\n0.998465 0.509810 0.573255 Ca\n0.498465 0.990190 0.426745 Ca\n0.001535 0.009810 0.926745 Ca\n0.501535 0.490190 0.073255 Ca\n0.036064 0.972176 0.703779 Ca\n0.536064 0.527824 0.296221 Ca\n0.963936 0.472176 0.796221 Ca\n0.463936 0.027824 0.203779 Ca\n0.206714 0.758622 0.061812 Ca\n0.706714 0.741378 0.938188 Ca\n0.793286 0.258622 0.438188 Ca\n0.293286 0.241378 0.561812 Ca\n0.238930 0.736292 0.833436 Ca\n0.738930 0.763708 0.166564 Ca\n0.761070 0.236292 0.666564 Ca\n0.261070 0.263708 0.333436 Ca\n0.467404 0.490507 0.679694 Ca\n0.967404 0.009493 0.320306 Ca\n0.532596 0.990507 0.820306 Ca\n0.032596 0.509493 0.179694 Ca\n0.013532 0.991163 0.507041 Al\n0.513532 0.508837 0.492959 Al\n0.986468 0.491163 0.992959 Al\n0.486468 0.008837 0.007041 Al\n0.255411 0.249535 0.748588 Al\n0.755411 0.250465 0.251412 Al\n0.744589 0.749535 0.751412 Al\n0.244589 0.750465 0.248588 Al\n0.262752 0.756161 0.628495 Al\n0.762752 0.743839 0.371505 Al\n0.737248 0.256161 0.871505 Al\n0.237248 0.243839 0.128495 Al\n0.492584 0.981588 0.631016 Al\n0.992584 0.518412 0.368984 Al\n0.507416 0.481588 0.868984 Al\n0.007416 0.018412 0.131016 Al\n0.881245 0.864872 0.827872 N\n0.381245 0.635128 0.172128 N\n0.118755 0.364872 0.672128 N\n0.618755 0.135128 0.327872 N\n0.976942 0.707553 0.671889 N\n0.476942 0.792447 0.328111 N\n0.023058 0.207553 0.828111 N\n0.523058 0.292447 0.171889 N\n0.128936 0.887453 0.190915 N\n0.628936 0.612547 0.809085 N\n0.871064 0.387453 0.309085 N\n0.371064 0.112547 0.690915 N\n0.218461 0.526402 0.911143 N\n0.718461 0.973598 0.088857 N\n0.781539 0.026402 0.588857 N\n0.281539 0.473598 0.411143 N\n0.274088 0.904411 0.555389 N\n0.774088 0.595589 0.444611 N\n0.725912 0.404411 0.944611 N\n0.225912 0.095589 0.055389 N\n0.370402 0.873299 0.942251 N\n0.870402 0.626701 0.057749 N\n0.629598 0.373299 0.557749 N\n0.129598 0.126701 0.442251 N\n0.380060 0.627067 0.565663 N\n0.880060 0.872933 0.434337 N\n0.619940 0.127067 0.934337 N\n0.119940 0.372933 0.065663 N\n0.480321 0.833410 0.703683 N\n0.980321 0.666590 0.296317 N\n0.519679 0.333410 0.796317 N\n0.019679 0.166590 0.203683 N\n",
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"volume": 1002.2165789291964,
"volume_molar": 8.382624042107322,
"formula_full": "Ca24 Al16 N32",
"formula_reduced": "Ca3(AlN2)2",
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"energy": -467.86625337,
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"spacegroup": 19
},
{
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