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{
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"results": [
{
"id": "mp-1418945",
"created_at": "2022-09-04T14:39:59.170515Z",
"structure_string": "Ti2 Zn1 N2\n1.0\n3.139003 0.000000 0.000000\n0.000000 3.139003 0.000000\n0.000000 0.000000 7.631195\nTi Zn N\n2 1 2\ndirect\n0.000000 0.000000 0.689235 Ti\n0.000000 0.000000 0.310765 Ti\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.170688 N\n0.500000 0.000000 0.829312 N\n",
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"volume": 75.19275767459031,
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"formula_full": "Ti2 Zn1 N2",
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{
"id": "mp-1223041",
"created_at": "2022-09-04T14:39:58.443557Z",
"structure_string": "Li11 Mo12 O24\n1.0\n7.040700 0.000000 0.000000\n-0.401389 8.281977 0.000000\n-1.002100 -1.996622 9.080997\nLi Mo O\n11 12 24\ndirect\n0.835396 0.324821 0.160249 Li\n0.164604 0.675179 0.839751 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.320963 0.832587 0.155447 Li\n0.679037 0.167413 0.844553 Li\n0.836073 0.847395 0.681675 Li\n0.163927 0.152605 0.318325 Li\n0.500000 0.500000 0.000000 Li\n0.330055 0.326700 0.670799 Li\n0.669945 0.673300 0.329201 Li\n0.247136 0.503541 0.250030 Mo\n0.592271 0.834360 0.916443 Mo\n0.915561 0.166926 0.579871 Mo\n0.752864 0.496459 0.749970 Mo\n0.084439 0.833074 0.420129 Mo\n0.407729 0.165640 0.083557 Mo\n0.919869 0.671023 0.082811 Mo\n0.249565 0.994708 0.751268 Mo\n0.576544 0.340725 0.418996 Mo\n0.080131 0.328977 0.917189 Mo\n0.423456 0.659275 0.581004 Mo\n0.750435 0.005292 0.248732 Mo\n0.866503 0.734274 0.868608 O\n0.197287 0.077378 0.542926 O\n0.524988 0.412967 0.209424 O\n0.030538 0.407411 0.707073 O\n0.368162 0.746404 0.378968 O\n0.683770 0.083790 0.042842 O\n0.133497 0.265726 0.131392 O\n0.475012 0.587033 0.790576 O\n0.802713 0.922622 0.457074 O\n0.969462 0.592589 0.292927 O\n0.316230 0.916210 0.957158 O\n0.631838 0.253596 0.621032 O\n0.197516 0.577380 0.040853 O\n0.531076 0.898351 0.702035 O\n0.847726 0.255069 0.374543 O\n0.802484 0.422620 0.959147 O\n0.152274 0.744931 0.625457 O\n0.468924 0.101649 0.297965 O\n0.298112 0.421809 0.461402 O\n0.641796 0.760387 0.126832 O\n0.969670 0.087740 0.782109 O\n0.701888 0.578191 0.538598 O\n0.030330 0.912260 0.217891 O\n0.358204 0.239613 0.873168 O\n",
"nsites": 47,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 5.053909229880663,
"density_atomic": 0.08875942210527932,
"volume": 529.5212483949294,
"volume_molar": 6.784790411159977,
"formula_full": "Li11 Mo12 O24",
"formula_reduced": "Li11(MoO2)12",
"formula_anonymous": "A11B12C24",
"energy": -361.41876446,
"energy_per_atom": -7.689760945957446,
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"updated_at": "2021-11-28T01:34:43.081000Z",
"spacegroup": 2
},
{
"id": "mp-600182",
"created_at": "2022-09-04T14:39:58.448124Z",
"structure_string": "Cd4 H32 C8 Br12 N4\n1.0\n14.023754 0.000000 0.000000\n0.000000 7.073921 0.000000\n0.000000 1.153184 9.063267\nCd H C Br N\n4 32 8 12 4\ndirect\n0.746122 0.022351 0.782792 Cd\n0.253878 0.977649 0.217208 Cd\n0.246122 0.477649 0.217208 Cd\n0.753878 0.522351 0.782792 Cd\n0.919341 0.025108 0.367039 H\n0.416687 0.719460 0.551700 H\n0.511737 0.662446 0.777797 H\n0.583313 0.280540 0.448300 H\n0.090840 0.463494 0.687790 H\n0.414527 0.590204 0.872963 H\n0.409160 0.963494 0.687790 H\n0.524412 0.055880 0.142704 H\n0.182951 0.123301 0.657944 H\n0.317049 0.623301 0.657944 H\n0.580659 0.525108 0.367039 H\n0.085473 0.090204 0.872963 H\n0.419341 0.474892 0.632961 H\n0.914527 0.909796 0.127037 H\n0.975588 0.555880 0.142704 H\n0.011737 0.837554 0.222203 H\n0.817049 0.876699 0.342056 H\n0.650052 0.106881 0.141117 H\n0.988263 0.162446 0.777797 H\n0.682951 0.376699 0.342056 H\n0.849948 0.606881 0.141117 H\n0.083313 0.219460 0.551700 H\n0.590840 0.036506 0.312210 H\n0.024412 0.444120 0.857296 H\n0.475588 0.944120 0.857296 H\n0.349948 0.893119 0.858883 H\n0.916687 0.780540 0.448300 H\n0.585473 0.409796 0.127037 H\n0.150052 0.393119 0.858883 H\n0.080659 0.974892 0.632961 H\n0.488263 0.337554 0.222203 H\n0.909160 0.536506 0.312210 H\n0.894730 0.881100 0.353587 C\n0.583157 0.115048 0.201669 C\n0.416843 0.884952 0.798331 C\n0.605270 0.381100 0.353587 C\n0.105270 0.118900 0.646413 C\n0.394730 0.618900 0.646413 C\n0.083157 0.384952 0.798331 C\n0.916843 0.615048 0.201669 C\n0.832151 0.219478 0.000141 Br\n0.839094 0.307297 0.583213 Br\n0.660906 0.807297 0.583213 Br\n0.332151 0.280522 0.999859 Br\n0.167849 0.780522 0.999859 Br\n0.595317 0.279855 0.789524 Br\n0.160906 0.692703 0.416787 Br\n0.404683 0.720145 0.210476 Br\n0.904683 0.779855 0.789524 Br\n0.339094 0.192703 0.416787 Br\n0.667849 0.719478 0.000141 Br\n0.095317 0.220145 0.210476 Br\n0.561523 0.319566 0.217983 N\n0.061523 0.180434 0.782017 N\n0.938477 0.819565 0.217983 N\n0.438477 0.680434 0.782017 N\n",
"nsites": 60,
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"elements": [
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"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-Cd-H-N",
"density": 2.94182629011575,
"density_atomic": 0.06673320538809428,
"volume": 899.1026229155848,
"volume_molar": 9.024204254804754,
"formula_full": "Cd4 H32 C8 Br12 N4",
"formula_reduced": "CdH8C2Br3N",
"formula_anonymous": "ABC2D3E8",
"energy": -271.78869587,
"energy_per_atom": -4.5298115978333335,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 3.4432,
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"updated_at": "2021-11-28T01:34:45.058000Z",
"spacegroup": 14
},
{
"id": "mp-13123",
"created_at": "2022-09-04T14:39:58.453664Z",
"structure_string": "La1 Ge3 Rh1\n1.0\n-2.230222 2.230222 5.100245\n2.230222 -2.230222 5.100245\n2.230222 2.230222 -5.100245\nLa Ge Rh\n1 3 1\ndirect\n0.578878 0.578878 0.000000 La\n0.341803 0.841803 0.500000 Ge\n0.841803 0.341803 0.500000 Ge\n0.000874 0.000874 0.000000 Ge\n0.238643 0.238643 0.000000 Rh\n",
"nsites": 5,
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"elements": [
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"Ge",
"Rh"
],
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"density": 7.523252487186177,
"density_atomic": 0.0492745631934608,
"volume": 101.4722338657595,
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"formula_full": "La1 Ge3 Rh1",
"formula_reduced": "LaGe3Rh",
"formula_anonymous": "ABC3",
"energy": -29.97768883,
"energy_per_atom": -5.995537766,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:41.547000Z",
"spacegroup": 107
},
{
"id": "mp-1097446",
"created_at": "2022-09-04T14:39:58.460087Z",
"structure_string": "Y2 Tc1 Pd1\n1.0\n-4.884675 5.848872 8.271881\n4.884675 -5.848872 8.271881\n4.884675 5.848872 -8.271881\nY Tc Pd\n2 1 1\ndirect\n0.000000 0.232052 0.232052 Y\n0.000000 0.767948 0.767948 Y\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pd\n",
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"elements": [
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"Pd"
],
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"density": 0.6714346344656412,
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"volume": 945.3052281821346,
"volume_molar": 142.31902863191834,
"formula_full": "Y2 Tc1 Pd1",
"formula_reduced": "Y2TcPd",
"formula_anonymous": "ABC2",
"energy": -19.24521298,
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"updated_at": "2021-11-28T01:34:44.107000Z",
"spacegroup": 71
},
{
"id": "mp-1187626",
"created_at": "2022-09-04T14:39:58.464867Z",
"structure_string": "Yb1 Mg3\n1.0\n-2.532608 2.532608 4.030421\n2.532608 -2.532608 4.030421\n2.532608 2.532608 -4.030421\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n",
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],
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"density": 3.949648071564417,
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"volume": 103.40614625035,
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"formula_full": "Yb1 Mg3",
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"energy": -6.47201624,
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"updated_at": "2021-11-28T01:34:44.500000Z",
"spacegroup": 139
},
{
"id": "mp-19841",
"created_at": "2022-09-04T14:39:58.466480Z",
"structure_string": "Er4 Ge4 Ru4\n1.0\n4.395502 0.000000 0.000000\n0.000000 6.998156 0.000000\n0.000000 0.000000 7.256553\nEr Ge Ru\n4 4 4\ndirect\n0.250000 0.487843 0.192194 Er\n0.750000 0.512157 0.807806 Er\n0.250000 0.987843 0.307806 Er\n0.750000 0.012157 0.692194 Er\n0.250000 0.795705 0.892898 Ge\n0.750000 0.204295 0.107102 Ge\n0.250000 0.295705 0.607102 Ge\n0.750000 0.704295 0.392898 Ge\n0.750000 0.844087 0.062691 Ru\n0.250000 0.155913 0.937309 Ru\n0.750000 0.344087 0.437309 Ru\n0.250000 0.655913 0.562691 Ru\n",
"nsites": 12,
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"elements": [
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],
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"density": 10.146155446077053,
"density_atomic": 0.053759939721997003,
"volume": 223.2145359919358,
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"formula_full": "Er4 Ge4 Ru4",
"formula_reduced": "ErGeRu",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:41.857000Z",
"spacegroup": 62
},
{
"id": "mp-1205154",
"created_at": "2022-09-04T14:39:58.471034Z",
"structure_string": "Ga2 Si6 P2 H60 C20 N4 Cl8\n1.0\n8.960557 0.000000 0.000000\n0.000000 13.348609 0.000000\n-1.932681 0.000000 11.381371\nGa Si P H C N Cl\n2 6 2 60 20 4 8\ndirect\n0.076066 0.002138 0.862006 Ga\n0.923934 0.502138 0.137994 Ga\n0.420471 0.912388 0.142156 Si\n0.579529 0.412388 0.857844 Si\n0.358872 0.162936 0.300968 Si\n0.641128 0.662936 0.699032 Si\n0.219443 0.974070 0.411734 Si\n0.780557 0.474070 0.588266 Si\n0.099893 0.997295 0.080147 P\n0.900107 0.497295 0.919853 P\n0.293571 0.746456 0.148819 H\n0.706429 0.246456 0.851181 H\n0.446630 0.743188 0.069016 H\n0.553370 0.243188 0.930984 H\n0.269526 0.792451 0.001375 H\n0.730474 0.292451 0.998625 H\n0.972963 0.096299 0.210879 H\n0.027037 0.596299 0.789121 H\n0.874824 0.091691 0.061576 H\n0.125176 0.591691 0.938424 H\n0.035994 0.171479 0.099089 H\n0.964006 0.671479 0.900911 H\n0.480129 0.966742 0.529658 H\n0.519871 0.466742 0.470342 H\n0.336567 0.953048 0.618369 H\n0.663433 0.453048 0.381631 H\n0.381589 0.073265 0.571154 H\n0.618411 0.573265 0.428846 H\n0.028983 0.100925 0.456284 H\n0.971017 0.600925 0.543716 H\n0.016014 0.986077 0.531061 H\n0.983986 0.486077 0.468939 H\n0.937560 0.995187 0.380128 H\n0.062440 0.495187 0.619872 H\n0.146334 0.253556 0.369953 H\n0.853666 0.753556 0.630047 H\n0.321926 0.315544 0.410415 H\n0.678074 0.815544 0.589585 H\n0.278732 0.210448 0.492990 H\n0.721268 0.710448 0.507010 H\n0.598220 0.118278 0.439845 H\n0.401780 0.618278 0.560155 H\n0.608971 0.237058 0.371973 H\n0.391029 0.737058 0.628027 H\n0.631071 0.126853 0.291903 H\n0.368929 0.626853 0.708097 H\n0.349745 0.179274 0.082679 H\n0.650255 0.679274 0.917321 H\n0.421877 0.287428 0.162362 H\n0.578123 0.787428 0.837638 H\n0.224728 0.266632 0.134583 H\n0.775272 0.766632 0.865417 H\n0.604305 0.964184 0.319602 H\n0.395695 0.464184 0.680398 H\n0.655802 0.850914 0.255045 H\n0.344198 0.350914 0.744955 H\n0.512896 0.849416 0.344072 H\n0.487104 0.349416 0.655928 H\n0.111252 0.818097 0.309138 H\n0.888748 0.318097 0.690862 H\n0.168510 0.801134 0.462131 H\n0.831490 0.301134 0.537869 H\n0.305925 0.800658 0.368696 H\n0.694075 0.300658 0.631304 H\n0.436553 0.987066 0.945985 H\n0.563447 0.487066 0.054015 H\n0.611784 0.936167 0.015310 H\n0.388216 0.436167 0.984690 H\n0.551017 0.054454 0.060796 H\n0.448983 0.554454 0.939204 H\n0.348144 0.787415 0.085006 C\n0.651856 0.287415 0.914994 C\n0.985601 0.100074 0.117879 C\n0.014399 0.600074 0.882121 C\n0.369553 0.994588 0.544074 C\n0.630447 0.494588 0.455926 C\n0.033129 0.019317 0.446802 C\n0.966871 0.519317 0.553198 C\n0.266778 0.241502 0.403903 C\n0.733222 0.741502 0.596097 C\n0.568607 0.159451 0.356863 C\n0.431393 0.659451 0.643137 C\n0.334453 0.228773 0.155639 C\n0.665547 0.728773 0.844361 C\n0.560313 0.893630 0.279195 C\n0.439687 0.393630 0.720805 C\n0.200567 0.836063 0.383284 C\n0.799433 0.336063 0.616716 C\n0.512310 0.979403 0.030640 C\n0.487690 0.479403 0.969360 C\n0.262603 0.990466 0.175047 N\n0.737397 0.490466 0.824953 N\n0.273002 0.040400 0.288376 N\n0.726998 0.540400 0.711624 N\n0.146432 0.862648 0.786193 Cl\n0.853568 0.362648 0.213807 Cl\n0.205988 0.130909 0.816541 Cl\n0.794012 0.630909 0.183459 Cl\n0.832743 0.024329 0.804304 Cl\n0.167257 0.524329 0.195696 Cl\n0.957780 0.877280 0.101221 Cl\n0.042220 0.377280 0.898779 Cl\n",
"nsites": 102,
"nelements": 7,
"elements": [
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"Si",
"P",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Ga-H-N-P-Si",
"density": 1.2322856152015151,
"density_atomic": 0.07492634927735689,
"volume": 1361.3368458994826,
"volume_molar": 8.037413831157954,
"formula_full": "Ga2 Si6 P2 H60 C20 N4 Cl8",
"formula_reduced": "GaSi3PH30C10(NCl2)2",
"formula_anonymous": "ABC2D3E4F10G30",
"energy": -522.86133344,
"energy_per_atom": -5.126091504313725,
"energy_above_hull": null,
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"band_gap": 3.1254,
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"updated_at": "2021-11-28T01:34:55.839000Z",
"spacegroup": 4
},
{
"id": "mp-1075483",
"created_at": "2022-09-04T14:39:58.476934Z",
"structure_string": "Mg10 Si12\n1.0\n5.073353 0.000000 0.000000\n-0.092547 5.478993 0.000000\n-1.886392 -1.653462 14.119381\nMg Si\n10 12\ndirect\n0.239018 0.922600 0.013497 Mg\n0.285104 0.899923 0.625103 Mg\n0.829161 0.902221 0.745808 Mg\n0.115713 0.022044 0.263738 Mg\n0.605712 0.706914 0.249988 Mg\n0.723802 0.166996 0.935868 Mg\n0.222379 0.350613 0.497906 Mg\n0.668153 0.279580 0.374161 Mg\n0.037420 0.441051 0.123929 Mg\n0.197915 0.394939 0.874917 Mg\n0.711578 0.651490 0.903349 Si\n0.502280 0.497535 0.055516 Si\n0.919841 0.841144 0.436144 Si\n0.743519 0.613962 0.563925 Si\n0.346348 0.877349 0.825164 Si\n0.781354 0.878053 0.087246 Si\n0.413563 0.845263 0.433359 Si\n0.607684 0.390055 0.730105 Si\n0.097644 0.431648 0.685045 Si\n0.541720 0.193195 0.176536 Si\n0.147090 0.525829 0.320596 Si\n0.759372 0.163963 0.574468 Si\n",
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.454270970803642,
"density_atomic": 0.056054592087643434,
"volume": 392.4745356384395,
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"formula_full": "Mg10 Si12",
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},
{
"id": "mp-1268193",
"created_at": "2022-09-04T14:39:58.480001Z",
"structure_string": "Ca32 Mn28 Cr4 O92\n1.0\n10.875728 -0.007852 -0.035187\n-0.010819 15.253001 -0.005013\n-0.034436 -0.003570 10.736434\nCa Mn Cr O\n32 28 4 92\ndirect\n0.018754 0.116298 0.505432 Ca\n0.015745 0.118392 0.992453 Ca\n0.021321 0.626683 0.496124 Ca\n0.020934 0.627022 0.995549 Ca\n0.525819 0.129088 0.505624 Ca\n0.534079 0.121224 0.974608 Ca\n0.525938 0.625128 0.497975 Ca\n0.522676 0.625239 0.994539 Ca\n0.491165 0.382949 0.996986 Ca\n0.478466 0.383837 0.508048 Ca\n0.483064 0.870970 0.995432 Ca\n0.481346 0.866014 0.515211 Ca\n0.967860 0.383686 0.000102 Ca\n0.976830 0.379624 0.506046 Ca\n0.975436 0.873350 0.005083 Ca\n0.972378 0.874074 0.506846 Ca\n0.227914 0.388741 0.254043 Ca\n0.226461 0.377891 0.732928 Ca\n0.224659 0.873235 0.244182 Ca\n0.228694 0.873848 0.749051 Ca\n0.730854 0.383575 0.244641 Ca\n0.726861 0.378667 0.748289 Ca\n0.732173 0.866838 0.246634 Ca\n0.727813 0.873447 0.745423 Ca\n0.240266 0.119459 0.260941 Ca\n0.269666 0.116296 0.734472 Ca\n0.273286 0.627666 0.257038 Ca\n0.271510 0.625294 0.755028 Ca\n0.777378 0.117091 0.254380 Ca\n0.774270 0.123276 0.754796 Ca\n0.773106 0.625286 0.256022 Ca\n0.772554 0.626302 0.753797 Ca\n0.997599 0.997936 0.753364 Mn\n0.999346 0.502109 0.250511 Mn\n0.000750 0.500627 0.750191 Mn\n0.507814 0.987550 0.242815 Mn\n0.500101 0.998948 0.749195 Mn\n0.499112 0.503658 0.251137 Mn\n0.499873 0.501510 0.749925 Mn\n0.240836 0.993161 0.504062 Mn\n0.249210 0.503972 0.004307 Mn\n0.250392 0.503014 0.500735 Mn\n0.750595 0.998623 0.998070 Mn\n0.746375 0.000267 0.501645 Mn\n0.748800 0.502896 0.000553 Mn\n0.751280 0.500397 0.500123 Mn\n0.249577 0.250857 0.492869 Mn\n0.251044 0.751414 0.000426 Mn\n0.250539 0.749923 0.500108 Mn\n0.751727 0.248806 0.998833 Mn\n0.749613 0.250784 0.504442 Mn\n0.749749 0.749675 0.999995 Mn\n0.750633 0.749276 0.500084 Mn\n0.995745 0.251122 0.745104 Mn\n0.000643 0.749228 0.250369 Mn\n0.000871 0.750317 0.750020 Mn\n0.518248 0.255429 0.260106 Mn\n0.502676 0.250897 0.743371 Mn\n0.499312 0.748549 0.251718 Mn\n0.499972 0.748231 0.751068 Mn\n0.996897 0.996148 0.249267 Cr\n0.250015 0.000112 0.002935 Cr\n0.258650 0.244679 0.964684 Cr\n0.985998 0.250560 0.268354 Cr\n0.100122 0.266730 0.597100 O\n0.105731 0.771502 0.103580 O\n0.105677 0.773109 0.603503 O\n0.591239 0.260006 0.101923 O\n0.599007 0.269498 0.594984 O\n0.606367 0.772909 0.106962 O\n0.607362 0.765987 0.606841 O\n0.397367 0.209655 0.361147 O\n0.405753 0.232065 0.896889 O\n0.396233 0.726319 0.397885 O\n0.395854 0.729318 0.897878 O\n0.899494 0.224913 0.403853 O\n0.901198 0.233961 0.903952 O\n0.895724 0.730238 0.395173 O\n0.894960 0.729425 0.895515 O\n0.148731 0.243924 0.325856 O\n0.149009 0.226060 0.843191 O\n0.146339 0.730540 0.352925 O\n0.146804 0.729964 0.854072 O\n0.656989 0.223969 0.351333 O\n0.649933 0.229341 0.852343 O\n0.646187 0.728128 0.354190 O\n0.644586 0.728674 0.855842 O\n0.353577 0.266209 0.640730 O\n0.355722 0.772739 0.147342 O\n0.354400 0.770146 0.647132 O\n0.866811 0.273954 0.146601 O\n0.849900 0.273509 0.649732 O\n0.856832 0.769870 0.144663 O\n0.856381 0.771306 0.645641 O\n0.356129 0.482701 0.146063 O\n0.355503 0.481380 0.645489 O\n0.353358 0.997962 0.166489 O\n0.355216 0.980430 0.641561 O\n0.855851 0.481207 0.145222 O\n0.856896 0.478415 0.646263 O\n0.848947 0.979522 0.149887 O\n0.850928 0.978396 0.646834 O\n0.140747 0.011188 0.357068 O\n0.143022 0.024692 0.857189 O\n0.147516 0.520928 0.352356 O\n0.150178 0.515092 0.854044 O\n0.626285 0.029880 0.356370 O\n0.648390 0.019633 0.849981 O\n0.646223 0.519077 0.353688 O\n0.644927 0.521304 0.855351 O\n0.396065 0.021782 0.895017 O\n0.395673 0.522816 0.397079 O\n0.395265 0.514213 0.900424 O\n0.889593 0.020964 0.393179 O\n0.894556 0.017555 0.899282 O\n0.897206 0.520056 0.396025 O\n0.896593 0.518455 0.897557 O\n0.104112 0.479561 0.104628 O\n0.106583 0.479220 0.604616 O\n0.101534 0.980965 0.108965 O\n0.097234 0.980795 0.611692 O\n0.607049 0.481112 0.107430 O\n0.607270 0.481747 0.605841 O\n0.601733 0.986283 0.094316 O\n0.598513 0.981584 0.598776 O\n0.011808 0.377200 0.285951 O\n0.014739 0.374632 0.788900 O\n0.006751 0.873511 0.290023 O\n0.011403 0.874492 0.792905 O\n0.497653 0.377192 0.284788 O\n0.508263 0.375288 0.783207 O\n0.509146 0.871877 0.299921 O\n0.510074 0.874239 0.784312 O\n0.490212 0.124949 0.715000 O\n0.490041 0.627061 0.208510 O\n0.488044 0.624703 0.713269 O\n0.996775 0.126111 0.213421 O\n0.985765 0.125477 0.713738 O\n0.990191 0.625529 0.209739 O\n0.991384 0.624987 0.711733 O\n0.236526 0.146247 0.054556 O\n0.246203 0.121130 0.515292 O\n0.237783 0.625523 0.041260 O\n0.236941 0.626215 0.540920 O\n0.744082 0.124789 0.040015 O\n0.740677 0.125384 0.542428 O\n0.739852 0.625924 0.040698 O\n0.744432 0.624747 0.538233 O\n0.265321 0.375910 0.463085 O\n0.255769 0.357677 0.007277 O\n0.269545 0.874749 0.456310 O\n0.265939 0.875384 0.964600 O\n0.759750 0.374349 0.459005 O\n0.750636 0.375518 0.965750 O\n0.755056 0.875678 0.460585 O\n0.757806 0.874318 0.960883 O\n",
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"elements": [
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"Cr",
"O"
],
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"density": 4.196230390489083,
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"formula_full": "Ca32 Mn28 Cr4 O92",
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"updated_at": "2021-11-28T01:34:41.301000Z",
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},
{
"id": "mp-1191353",
"created_at": "2022-09-04T14:39:58.541250Z",
"structure_string": "Rb4 Ga4 H16\n1.0\n5.921422 0.000000 0.000000\n0.000000 7.812334 0.000000\n0.000000 0.000000 9.717860\nRb Ga H\n4 4 16\ndirect\n0.250000 0.337477 0.682542 Rb\n0.250000 0.162523 0.182542 Rb\n0.750000 0.662523 0.317458 Rb\n0.750000 0.837477 0.817458 Rb\n0.250000 0.693146 0.062142 Ga\n0.250000 0.806854 0.562142 Ga\n0.750000 0.306854 0.937858 Ga\n0.750000 0.193146 0.437858 Ga\n0.250000 0.614122 0.911528 H\n0.250000 0.885878 0.411528 H\n0.750000 0.385878 0.088472 H\n0.750000 0.114122 0.588472 H\n0.250000 0.550605 0.179589 H\n0.250000 0.949395 0.679589 H\n0.750000 0.449395 0.820411 H\n0.750000 0.050605 0.320411 H\n0.968664 0.187471 0.918165 H\n0.531336 0.312529 0.418165 H\n0.468664 0.812529 0.081835 H\n0.031336 0.687471 0.581835 H\n0.031336 0.812529 0.081835 H\n0.468664 0.687471 0.581835 H\n0.531336 0.187471 0.918165 H\n0.968664 0.312529 0.418165 H\n",
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},
{
"id": "mp-1211036",
"created_at": "2022-09-04T14:39:58.386930Z",
"structure_string": "Lu8 B24 Rh4\n1.0\n3.596542 0.000000 0.000000\n0.000000 9.074258 0.000000\n0.000000 0.000000 11.390068\nLu B Rh\n8 24 4\ndirect\n0.500000 0.321634 0.413295 Lu\n0.500000 0.678366 0.586705 Lu\n0.500000 0.178366 0.913295 Lu\n0.500000 0.821634 0.086705 Lu\n0.500000 0.444911 0.125952 Lu\n0.500000 0.555089 0.874048 Lu\n0.500000 0.055089 0.625952 Lu\n0.500000 0.944911 0.374048 Lu\n0.000000 0.108876 0.470043 B\n0.000000 0.891124 0.529957 B\n0.000000 0.391124 0.970043 B\n0.000000 0.608876 0.029957 B\n0.000000 0.133794 0.316057 B\n0.000000 0.866206 0.683943 B\n0.000000 0.366206 0.816057 B\n0.000000 0.633794 0.183943 B\n0.000000 0.053359 0.065499 B\n0.000000 0.946641 0.934501 B\n0.000000 0.446641 0.565499 B\n0.000000 0.553359 0.434501 B\n0.000000 0.482440 0.287919 B\n0.000000 0.517560 0.712081 B\n0.000000 0.017560 0.787919 B\n0.000000 0.982440 0.212081 B\n0.000000 0.251032 0.079095 B\n0.000000 0.748968 0.920905 B\n0.000000 0.248968 0.579095 B\n0.000000 0.751032 0.420905 B\n0.000000 0.295825 0.235533 B\n0.000000 0.704175 0.764467 B\n0.000000 0.204175 0.735533 B\n0.000000 0.795825 0.264467 B\n0.500000 0.140435 0.178880 Rh\n0.500000 0.859565 0.821120 Rh\n0.500000 0.359565 0.678880 Rh\n0.500000 0.640435 0.321120 Rh\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "B-Lu-Rh",
"density": 9.250586989747166,
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"volume": 371.7256899249731,
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"formula_full": "Lu8 B24 Rh4",
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"energy": -250.65124985,
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"updated_at": "2021-11-28T01:34:44.287000Z",
"spacegroup": 55
}
]
}