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"results": [
{
"id": "mp-23034",
"created_at": "2022-09-04T14:39:33.642569Z",
"structure_string": "Sr2 Zn2 Cl8\n1.0\n-3.281602 3.281602 7.314096\n3.281602 -3.281602 7.314096\n3.281602 3.281602 -7.314096\nSr Zn Cl\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.678654 0.575186 0.415697 Cl\n0.325186 0.409489 0.396532 Cl\n0.071346 0.674814 0.084303 Cl\n0.737043 0.321346 0.896532 Cl\n0.012957 0.928654 0.603468 Cl\n0.590511 0.987043 0.915697 Cl\n0.424814 0.840511 0.103468 Cl\n0.159489 0.262957 0.584303 Cl\n",
"nsites": 12,
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"elements": [
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"Cl"
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"chemical_system": "Cl-Sr-Zn",
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"volume": 315.059415559523,
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"formula_full": "Sr2 Zn2 Cl8",
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"spacegroup": 88
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{
"id": "mp-1182658",
"created_at": "2022-09-04T14:39:33.645074Z",
"structure_string": "Cr4 Ni2 H40 N4 O28\n1.0\n18.636714 0.000000 0.000000\n0.000000 9.855623 0.000000\n0.000000 8.148086 12.481581\nCr Ni H N O\n4 2 40 4 28\ndirect\n0.362772 0.325819 0.880741 Cr\n0.862772 0.674181 0.619259 Cr\n0.637228 0.674181 0.119259 Cr\n0.137228 0.325819 0.380741 Cr\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234179 0.043593 0.395308 H\n0.734179 0.956407 0.104692 H\n0.765821 0.956407 0.604692 H\n0.265821 0.043593 0.895308 H\n0.199668 0.597429 0.747457 H\n0.699668 0.402571 0.752543 H\n0.800332 0.402571 0.252543 H\n0.300332 0.597429 0.247457 H\n0.311852 0.397694 0.178961 H\n0.811852 0.602306 0.321039 H\n0.688148 0.602306 0.821039 H\n0.188148 0.397694 0.678961 H\n0.684567 0.610437 0.867965 H\n0.184567 0.389563 0.632035 H\n0.315433 0.389563 0.132035 H\n0.815433 0.610437 0.367965 H\n0.519419 0.767656 0.813093 H\n0.019419 0.232344 0.686907 H\n0.480581 0.232344 0.186907 H\n0.980581 0.767656 0.313093 H\n0.261284 0.749439 0.222985 H\n0.761284 0.250561 0.277015 H\n0.738716 0.250561 0.777015 H\n0.238716 0.749439 0.722985 H\n0.495488 0.810296 0.584406 H\n0.995488 0.189704 0.915594 H\n0.504512 0.189704 0.415594 H\n0.004512 0.810296 0.084406 H\n0.949543 0.040838 0.542377 H\n0.449543 0.959162 0.957623 H\n0.050457 0.959162 0.457623 H\n0.550457 0.040838 0.042377 H\n0.545549 0.665062 0.236079 H\n0.045549 0.334938 0.263921 H\n0.454451 0.334938 0.763921 H\n0.954451 0.665062 0.736079 H\n0.022916 0.261276 0.724005 H\n0.522916 0.738724 0.775995 H\n0.977084 0.738724 0.275995 H\n0.477084 0.261276 0.224005 H\n0.412018 0.392075 0.958697 N\n0.912018 0.607925 0.541303 N\n0.587982 0.607925 0.041303 N\n0.087982 0.392075 0.458697 N\n0.287446 0.419172 0.850250 O\n0.787446 0.580828 0.649750 O\n0.712554 0.580828 0.149750 O\n0.212554 0.419172 0.350250 O\n0.397764 0.248780 0.029525 O\n0.897764 0.751220 0.470475 O\n0.602236 0.751220 0.970475 O\n0.102236 0.248780 0.529525 O\n0.413159 0.397296 0.761889 O\n0.913159 0.602704 0.738111 O\n0.586841 0.602704 0.238111 O\n0.086841 0.397296 0.261889 O\n0.310760 0.096102 0.858226 O\n0.810760 0.903898 0.641774 O\n0.689240 0.903898 0.141774 O\n0.189240 0.096102 0.358226 O\n0.487839 0.921068 0.010967 O\n0.987839 0.078932 0.489033 O\n0.512161 0.078932 0.989033 O\n0.012161 0.921068 0.510967 O\n0.693991 0.285439 0.791630 O\n0.193991 0.714561 0.708370 O\n0.306009 0.714561 0.208370 O\n0.806009 0.285439 0.291630 O\n0.153678 0.110327 0.439869 O\n0.653678 0.889673 0.060131 O\n0.846322 0.889673 0.560131 O\n0.346322 0.110327 0.939869 O\n",
"nsites": 78,
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"elements": [
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"Ni",
"H",
"N",
"O"
],
"chemical_system": "Cr-H-N-Ni-O",
"density": 0.6299338496627932,
"density_atomic": 0.034022919710890845,
"volume": 2292.5722031737314,
"volume_molar": 17.700246807660935,
"formula_full": "Cr4 Ni2 H40 N4 O28",
"formula_reduced": "Cr2NiH20(NO7)2",
"formula_anonymous": "AB2C2D14E20",
"energy": -394.61160968,
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"updated_at": "2021-11-28T01:34:37.870000Z",
"spacegroup": 14
},
{
"id": "mp-758152",
"created_at": "2022-09-04T14:39:33.656113Z",
"structure_string": "Li8 Ti6 Mn6 Te4 O32\n1.0\n-3.009533 5.211643 -0.000045\n0.009995 0.005687 10.315769\n9.147567 5.280327 0.005195\nLi Ti Mn Te O\n8 6 6 4 32\ndirect\n0.499949 0.901720 0.170707 Li\n0.999949 0.901720 0.670714 Li\n0.000010 0.990148 0.008285 Li\n0.500012 0.990154 0.508275 Li\n0.999949 0.491810 0.000365 Li\n0.499952 0.491797 0.500361 Li\n0.000032 0.400152 0.331013 Li\n0.500032 0.400178 0.831023 Li\n0.999870 0.721615 0.176517 Ti\n0.499867 0.721610 0.676505 Ti\n0.748736 0.221951 0.088086 Ti\n0.248744 0.221946 0.588078 Ti\n0.251435 0.221788 0.088069 Ti\n0.751429 0.221780 0.588060 Ti\n0.000031 0.212439 0.831580 Mn\n0.250041 0.711462 0.417348 Mn\n0.750092 0.711439 0.417388 Mn\n0.500013 0.212444 0.331574 Mn\n0.749972 0.711537 0.917324 Mn\n0.250138 0.711493 0.917366 Mn\n0.499849 0.493706 0.166098 Te\n0.999839 0.493673 0.666114 Te\n0.000015 0.993868 0.359534 Te\n0.500017 0.993878 0.859543 Te\n0.500023 0.317982 0.004423 O\n0.000022 0.317985 0.504431 O\n0.499953 0.114860 0.156409 O\n0.999953 0.114868 0.656410 O\n0.999962 0.311391 0.001281 O\n0.499961 0.311390 0.501281 O\n0.500122 0.804014 0.497581 O\n0.000119 0.804022 0.997562 O\n0.000096 0.119542 0.149777 O\n0.500095 0.119548 0.649774 O\n0.499946 0.578556 0.331253 O\n0.999945 0.578565 0.831257 O\n0.999965 0.615335 0.337174 O\n0.499965 0.615343 0.837134 O\n0.000026 0.857733 0.488401 O\n0.500024 0.857725 0.988400 O\n0.768983 0.607609 0.076162 O\n0.269003 0.607596 0.576197 O\n0.231157 0.607466 0.076265 O\n0.731145 0.607456 0.576295 O\n0.736417 0.343661 0.225845 O\n0.236419 0.343674 0.725845 O\n0.263742 0.343841 0.225792 O\n0.763743 0.343856 0.725792 O\n0.231262 0.816090 0.255169 O\n0.731278 0.816106 0.755143 O\n0.768660 0.816049 0.255165 O\n0.268645 0.816060 0.755144 O\n0.251610 0.090750 0.432166 O\n0.751616 0.090743 0.932173 O\n0.748387 0.090782 0.432184 O\n0.248384 0.090775 0.932193 O\n",
"nsites": 56,
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"elements": [
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"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te-Ti",
"density": 4.29171963566846,
"density_atomic": 0.08540187997279408,
"volume": 655.7232700010767,
"volume_molar": 7.05153184206066,
"formula_full": "Li8 Ti6 Mn6 Te4 O32",
"formula_reduced": "Li4Ti3Mn3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -425.94398106,
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"updated_at": "2021-11-28T01:34:45.430000Z",
"spacegroup": 8
},
{
"id": "mp-1273482",
"created_at": "2022-09-04T14:39:33.656848Z",
"structure_string": "Li8 Ni8 O16\n1.0\n-1.646775 5.505424 0.001646\n3.370448 4.011265 2.505580\n4.957497 4.484886 -7.420413\nLi Ni O\n8 8 16\ndirect\n0.001573 0.499885 0.500894 Li\n0.498439 0.000110 0.999081 Li\n0.249985 0.749953 0.749968 Li\n0.750026 0.250103 0.249982 Li\n0.012106 0.986531 0.507167 Li\n0.487825 0.513429 0.992773 Li\n0.509087 0.003600 0.498944 Li\n0.990973 0.496434 0.001018 Li\n0.995555 0.002697 0.999509 Ni\n0.504386 0.497246 0.500546 Ni\n0.750121 0.750003 0.250039 Ni\n0.249792 0.250074 0.750008 Ni\n0.250074 0.750125 0.250033 Ni\n0.750018 0.249857 0.749984 Ni\n0.749690 0.749880 0.750044 Ni\n0.250138 0.249983 0.249957 Ni\n0.611855 0.640906 0.139851 O\n0.108424 0.139328 0.639927 O\n0.888268 0.859304 0.360184 O\n0.391610 0.360593 0.860015 O\n0.645982 0.127373 0.629743 O\n0.097804 0.623031 0.131692 O\n0.854001 0.372504 0.870281 O\n0.402323 0.877020 0.368354 O\n0.864810 0.908283 0.867222 O\n0.369379 0.400749 0.367182 O\n0.354883 0.903684 0.871174 O\n0.862918 0.407049 0.364929 O\n0.635306 0.591488 0.632746 O\n0.130602 0.099423 0.132827 O\n0.144844 0.596391 0.628838 O\n0.637205 0.092965 0.135089 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"volume": 273.5904106918193,
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"formula_full": "Li8 Ni8 O16",
"formula_reduced": "LiNiO2",
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"updated_at": "2021-11-28T01:34:26.189000Z",
"spacegroup": 15
},
{
"id": "mp-1184945",
"created_at": "2022-09-04T14:39:33.661906Z",
"structure_string": "K1 Y1 O3\n1.0\n4.497543 0.000000 0.000000\n0.000000 4.497543 0.000000\n0.000000 0.000000 4.497543\nK Y O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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],
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"density": 3.2124885717965657,
"density_atomic": 0.0549596592770945,
"volume": 90.97581873262898,
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"formula_full": "K1 Y1 O3",
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"energy": -33.7785419,
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"updated_at": "2021-11-28T01:34:31.350000Z",
"spacegroup": 221
},
{
"id": "mp-23547",
"created_at": "2022-09-04T14:39:33.663059Z",
"structure_string": "Ba7 Cl2 F12\n1.0\n5.399729 -9.352605 0.000000\n5.399729 9.352605 0.000000\n0.000000 0.000000 4.235524\nBa Cl F\n7 2 12\ndirect\n0.954188 0.220964 0.500000 Ba\n0.779036 0.733224 0.500000 Ba\n0.266776 0.045812 0.500000 Ba\n0.077527 0.635561 0.000000 Ba\n0.364439 0.441966 0.000000 Ba\n0.558034 0.922473 0.000000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.714952 0.944735 0.500000 F\n0.055265 0.770218 0.500000 F\n0.229782 0.285048 0.500000 F\n0.881423 0.429005 0.500000 F\n0.570995 0.452418 0.500000 F\n0.547582 0.118577 0.500000 F\n0.096812 0.397068 0.000000 F\n0.602932 0.699743 0.000000 F\n0.300257 0.903188 0.000000 F\n0.787748 0.177987 0.000000 F\n0.822013 0.609761 0.000000 F\n0.390239 0.212252 0.000000 F\n",
"nsites": 21,
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],
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"density_atomic": 0.04908825515462155,
"volume": 427.8009054070625,
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"formula_full": "Ba7 Cl2 F12",
"formula_reduced": "Ba7(ClF6)2",
"formula_anonymous": "A2B7C12",
"energy": -123.76717319,
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"updated_at": "2021-11-28T01:34:38.356000Z",
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{
"id": "mp-753452",
"created_at": "2022-09-04T14:39:33.647309Z",
"structure_string": "Li24 Mn4 O12 F12\n1.0\n-3.953483 2.231991 2.473282\n-7.879852 -4.706907 -4.668892\n3.715582 -6.885201 7.209961\nLi Mn O F\n24 4 12 12\ndirect\n0.628846 0.784137 0.656916 Li\n0.629245 0.284278 0.656870 Li\n0.543095 0.510366 0.132443 Li\n0.542919 0.010350 0.132257 Li\n0.691404 0.784975 0.955482 Li\n0.691632 0.284979 0.955510 Li\n0.696902 0.534389 0.466458 Li\n0.697062 0.034219 0.466389 Li\n0.925122 0.505721 0.711526 Li\n0.924813 0.005759 0.711407 Li\n0.911294 0.238854 0.219547 Li\n0.911249 0.738841 0.219516 Li\n0.098392 0.762859 0.790700 Li\n0.098735 0.262829 0.790682 Li\n0.084450 0.494713 0.297956 Li\n0.084243 0.994756 0.297830 Li\n0.236626 0.491127 0.540888 Li\n0.237082 0.991010 0.540867 Li\n0.285730 0.223199 0.042576 Li\n0.285613 0.723242 0.042592 Li\n0.441280 0.473917 0.861142 Li\n0.440932 0.973871 0.861133 Li\n0.373152 0.204612 0.333759 Li\n0.373059 0.704704 0.333921 Li\n0.031544 0.743025 0.499717 Mn\n0.018098 0.991371 0.998047 Mn\n0.031903 0.242871 0.499818 Mn\n0.018323 0.491357 0.998076 Mn\n0.799353 0.891755 0.841437 O\n0.800097 0.392003 0.841376 O\n0.940365 0.644364 0.611076 O\n0.940376 0.144329 0.611050 O\n0.325390 0.614659 0.458304 O\n0.325421 0.114621 0.458247 O\n0.336462 0.872419 0.972455 O\n0.336608 0.372406 0.972450 O\n0.078480 0.351765 0.389467 O\n0.078145 0.851798 0.389454 O\n0.197714 0.110180 0.152445 O\n0.197851 0.610211 0.152523 O\n0.740706 0.624939 0.309749 F\n0.740145 0.125160 0.308973 F\n0.879192 0.381247 0.124355 F\n0.879194 0.881232 0.124355 F\n0.706967 0.387567 0.550454 F\n0.705702 0.887622 0.550464 F\n0.659003 0.125357 0.024799 F\n0.659305 0.625372 0.024939 F\n0.108000 0.618069 0.876287 F\n0.107688 0.118146 0.876328 F\n0.262749 0.384240 0.682425 F\n0.262341 0.884209 0.682564 F\n",
"nsites": 52,
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"elements": [
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"density": 2.5416558010345605,
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"volume": 526.7861024657074,
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"formula_full": "Li24 Mn4 O12 F12",
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"formula_anonymous": "AB3C3D6",
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"updated_at": "2021-11-28T01:34:37.295000Z",
"spacegroup": 1
},
{
"id": "mp-1044381",
"created_at": "2022-09-04T14:39:33.677793Z",
"structure_string": "Ba1 Mn4 Zn1 O8\n1.0\n2.750212 -4.763507 0.000000\n2.750212 4.763507 0.000000\n0.000000 0.000000 7.223336\nBa Mn Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.738158 Mn\n0.666667 0.333333 0.738158 Mn\n0.333333 0.666667 0.261842 Mn\n0.666667 0.333333 0.261842 Mn\n0.000000 0.000000 0.500000 Zn\n0.311590 0.311590 0.680688 O\n0.688410 0.000000 0.680688 O\n0.000000 0.688410 0.680688 O\n0.688410 0.688410 0.319312 O\n0.000000 0.311590 0.319312 O\n0.311590 0.000000 0.319312 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"elements": [
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],
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"density": 4.829837463444903,
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