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{
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"results": [
{
"id": "mp-680842",
"created_at": "2022-09-04T14:47:13.291798Z",
"structure_string": "Ca10 Mn2 Pb6\n1.0\n4.759104 -8.243011 0.000000\n4.759104 8.243011 0.000000\n0.000000 0.000000 6.922575\nCa Mn Pb\n10 2 6\ndirect\n0.707675 0.000000 0.750000 Ca\n0.292325 0.000000 0.250000 Ca\n0.292325 0.292325 0.750000 Ca\n0.000000 0.707675 0.750000 Ca\n0.333333 0.666667 0.500000 Ca\n0.666667 0.333333 0.500000 Ca\n0.707675 0.707675 0.250000 Ca\n0.000000 0.292325 0.250000 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.637522 0.250000 Pb\n0.000000 0.362478 0.750000 Pb\n0.362478 0.000000 0.750000 Pb\n0.362478 0.362478 0.250000 Pb\n0.637522 0.000000 0.250000 Pb\n0.637522 0.637522 0.750000 Pb\n",
"nsites": 18,
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"spacegroup": 193
},
{
"id": "mp-1220512",
"created_at": "2022-09-04T14:47:13.292827Z",
"structure_string": "Nb8 Fe2 Sb4 Pd1\n1.0\n0.000000 0.000000 4.956895\n-5.288007 5.288007 2.478447\n-5.288007 -5.288007 -2.478447\nNb Fe Sb Pd\n8 2 4 1\ndirect\n0.412594 0.878504 0.718138 Nb\n0.572960 0.121496 0.281862 Nb\n0.927040 0.281862 0.121496 Nb\n0.087406 0.718138 0.878504 Nb\n0.708903 0.718138 0.121496 Nb\n0.305544 0.281862 0.878504 Nb\n0.791097 0.121496 0.718138 Nb\n0.194456 0.878504 0.281862 Nb\n0.250000 0.000000 0.000000 Fe\n0.750000 0.000000 0.000000 Fe\n0.376678 0.500000 0.198614 Sb\n0.678064 0.500000 0.801386 Sb\n0.821936 0.801386 0.500000 Sb\n0.123322 0.198614 0.500000 Sb\n0.250000 0.500000 0.500000 Pd\n",
"nsites": 15,
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"elements": [
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"Fe",
"Sb",
"Pd"
],
"chemical_system": "Fe-Nb-Pd-Sb",
"density": 8.675892606706817,
"density_atomic": 0.054108749998847745,
"volume": 277.2194885359471,
"volume_molar": 11.129698542524533,
"formula_full": "Nb8 Fe2 Sb4 Pd1",
"formula_reduced": "Nb8Fe2Sb4Pd",
"formula_anonymous": "AB2C4D8",
"energy": -123.2689989,
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"updated_at": "2021-11-28T01:37:58.872000Z",
"spacegroup": 121
},
{
"id": "mp-1212166",
"created_at": "2022-09-04T14:47:13.570261Z",
"structure_string": "Li2 Eu2 W4 O16\n1.0\n5.930097 0.000000 0.000000\n0.000000 5.150122 0.000000\n0.000000 4.283865 10.227759\nLi Eu W O\n2 2 4 16\ndirect\n0.692264 0.000000 0.750000 Li\n0.307736 0.000000 0.250000 Li\n0.308824 0.500000 0.750000 Eu\n0.691176 0.500000 0.250000 Eu\n0.829031 0.736693 0.514278 W\n0.170969 0.263307 0.485722 W\n0.829031 0.263307 0.985722 W\n0.170969 0.736693 0.014278 W\n0.895463 0.857110 0.094590 O\n0.104537 0.142890 0.905410 O\n0.895463 0.142890 0.405410 O\n0.104537 0.857110 0.594590 O\n0.371382 0.725346 0.889219 O\n0.628618 0.274654 0.110781 O\n0.371382 0.274654 0.610781 O\n0.628618 0.725346 0.389219 O\n0.913077 0.645071 0.889971 O\n0.086923 0.354929 0.110029 O\n0.913077 0.354929 0.610029 O\n0.086923 0.645071 0.389971 O\n0.631809 0.773637 0.632886 O\n0.368191 0.226363 0.367114 O\n0.631809 0.226363 0.867114 O\n0.368191 0.773637 0.132886 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Eu",
"W",
"O"
],
"chemical_system": "Eu-Li-O-W",
"density": 6.9595659909511705,
"density_atomic": 0.07683364582155197,
"volume": 312.36315475306986,
"volume_molar": 7.837895359002709,
"formula_full": "Li2 Eu2 W4 O16",
"formula_reduced": "LiEu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -214.66912918000003,
"energy_per_atom": -8.944547049166667,
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"updated_at": "2021-11-28T01:37:52.594000Z",
"spacegroup": 13
},
{
"id": "mp-1246208",
"created_at": "2022-09-04T14:47:13.573924Z",
"structure_string": "Sr2 Mn4 N4\n1.0\n6.292672 0.048103 -0.066492\n3.040400 5.435380 0.000000\n6.504544 -3.638461 5.029469\nSr Mn N\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.729182 0.500000 0.635409 Mn\n0.270818 0.500000 0.364591 Mn\n0.270818 0.229182 0.864591 Mn\n0.729182 0.770818 0.135409 Mn\n0.679084 0.500000 0.160458 N\n0.320916 0.500000 0.839542 N\n0.320916 0.179084 0.339542 N\n0.679084 0.820916 0.660458 N\n",
"nsites": 10,
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"elements": [
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"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 4.294989344538364,
"density_atomic": 0.057347986562447044,
"volume": 174.3740382081393,
"volume_molar": 10.501050029790331,
"formula_full": "Sr2 Mn4 N4",
"formula_reduced": "Sr(MnN)2",
"formula_anonymous": "AB2C2",
"energy": -76.88782635,
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"updated_at": "2021-11-28T01:38:02.953000Z",
"spacegroup": 140
},
{
"id": "mp-1209111",
"created_at": "2022-09-04T14:47:13.582448Z",
"structure_string": "Rb2 Sr2 Cl6\n1.0\n7.827550 0.000000 0.000000\n0.000000 7.827550 0.000000\n0.000000 0.000000 5.759052\nRb Sr Cl\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n0.673749 0.173749 0.500000 Cl\n0.326251 0.826251 0.500000 Cl\n0.173749 0.326251 0.500000 Cl\n0.826251 0.673749 0.500000 Cl\n",
"nsites": 10,
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"elements": [
"Rb",
"Sr",
"Cl"
],
"chemical_system": "Cl-Rb-Sr",
"density": 2.630119814555131,
"density_atomic": 0.02833983381521938,
"volume": 352.86022018342555,
"volume_molar": 21.249739145491816,
"formula_full": "Rb2 Sr2 Cl6",
"formula_reduced": "RbSrCl3",
"formula_anonymous": "ABC3",
"energy": -42.75119462,
"energy_per_atom": -4.275119462,
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"updated_at": "2021-11-28T01:38:03.786000Z",
"spacegroup": 127
},
{
"id": "mp-1225158",
"created_at": "2022-09-04T14:47:13.272538Z",
"structure_string": "K4 Mo6 Se2 O33\n1.0\n8.813442 0.000000 0.000000\n2.315725 9.848718 0.000000\n2.414254 3.650717 9.183810\nK Mo Se O\n4 6 2 33\ndirect\n0.504399 0.710468 0.288260 K\n0.495187 0.290430 0.712451 K\n0.935060 0.872958 0.857717 K\n0.066479 0.122376 0.143205 K\n0.324404 0.436876 0.097414 Mo\n0.325375 0.096768 0.440178 Mo\n0.676058 0.563922 0.902958 Mo\n0.675458 0.904270 0.560283 Mo\n0.639230 0.297191 0.294789 Mo\n0.362042 0.703222 0.705508 Mo\n0.576961 0.103574 0.104335 Se\n0.423084 0.896882 0.896223 Se\n0.847098 0.607705 0.919092 O\n0.846478 0.925430 0.599657 O\n0.152557 0.393640 0.082090 O\n0.153938 0.075471 0.401630 O\n0.411046 0.550741 0.894018 O\n0.412468 0.894063 0.553129 O\n0.590318 0.449424 0.105787 O\n0.587918 0.106855 0.447283 O\n0.326035 0.993973 0.994636 O\n0.673787 0.006487 0.006035 O\n0.537044 0.746772 0.993420 O\n0.538361 0.995613 0.746564 O\n0.463191 0.253915 0.007130 O\n0.461152 0.005192 0.254044 O\n0.616457 0.722215 0.721111 O\n0.383908 0.278539 0.279453 O\n0.289029 0.841477 0.841752 O\n0.711172 0.159007 0.158613 O\n0.996629 0.222711 0.776919 O\n0.971272 0.776397 0.190121 O\n0.898279 0.676420 0.212736 O\n0.916272 0.229169 0.683603 O\n0.072364 0.328134 0.745428 O\n0.115429 0.692283 0.407143 O\n0.443122 0.597654 0.597907 O\n0.557958 0.403454 0.401635 O\n0.161721 0.714723 0.716383 O\n0.839587 0.284669 0.284179 O\n0.742447 0.424912 0.836032 O\n0.742496 0.835805 0.422874 O\n0.260373 0.576476 0.163279 O\n0.259517 0.164795 0.578229 O\n0.092938 0.564740 0.472569 O\n",
"nsites": 45,
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"elements": [
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"Mo",
"Se",
"O"
],
"chemical_system": "K-Mo-O-Se",
"density": 2.9536347345071214,
"density_atomic": 0.05645005512204097,
"volume": 797.1648548918727,
"volume_molar": 10.66808658907518,
"formula_full": "K4 Mo6 Se2 O33",
"formula_reduced": "K4Mo6Se2O33",
"formula_anonymous": "A2B4C6D33",
"energy": -291.59823345,
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"updated_at": "2021-11-28T01:37:56.487000Z",
"spacegroup": 1
},
{
"id": "mp-560015",
"created_at": "2022-09-04T14:47:13.276994Z",
"structure_string": "Li4 Mo4 As4 O24\n1.0\n5.005680 0.000000 0.000000\n0.000000 9.096049 0.000000\n0.000000 0.000000 9.572606\nLi Mo As O\n4 4 4 24\ndirect\n0.603476 0.851850 0.620936 Li\n0.103476 0.351850 0.879064 Li\n0.396524 0.351850 0.379064 Li\n0.896524 0.851850 0.120936 Li\n0.390108 0.998379 0.338550 Mo\n0.109892 0.998379 0.838550 Mo\n0.609892 0.498379 0.661450 Mo\n0.890108 0.498379 0.161450 Mo\n0.100010 0.678610 0.448487 As\n0.399990 0.678610 0.948487 As\n0.899990 0.178610 0.551513 As\n0.600010 0.178610 0.051513 As\n0.761909 0.344587 0.016062 O\n0.918160 0.870864 0.749828 O\n0.596084 0.494707 0.255417 O\n0.418160 0.370864 0.750172 O\n0.238091 0.844587 0.983938 O\n0.446271 0.671821 0.766418 O\n0.202857 0.536500 0.004458 O\n0.096084 0.994707 0.244583 O\n0.297143 0.536500 0.504458 O\n0.797143 0.036500 0.995542 O\n0.946271 0.171822 0.733582 O\n0.553729 0.171822 0.233582 O\n0.053729 0.671821 0.266418 O\n0.903916 0.494707 0.755417 O\n0.290829 0.172480 0.976072 O\n0.081840 0.370864 0.250172 O\n0.790829 0.672480 0.523928 O\n0.403916 0.994707 0.744583 O\n0.709171 0.672480 0.023928 O\n0.702857 0.036500 0.495542 O\n0.209171 0.172480 0.476072 O\n0.261909 0.844587 0.483938 O\n0.581840 0.870864 0.249828 O\n0.738091 0.344587 0.516062 O\n",
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"elements": [
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],
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"density_atomic": 0.08259551065709826,
"volume": 435.8590402020374,
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"formula_full": "Li4 Mo4 As4 O24",
"formula_reduced": "LiMoAsO6",
"formula_anonymous": "ABCD6",
"energy": -257.75795571000003,
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"updated_at": "2021-11-28T01:38:03.577000Z",
"spacegroup": 33
},
{
"id": "mp-753982",
"created_at": "2022-09-04T14:47:13.280783Z",
"structure_string": "Li3 Cr1 S4\n1.0\n5.938776 0.000000 0.000000\n0.000000 5.938776 0.000000\n0.000000 0.000000 5.938776\nLi Cr S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.207437 0.207437 0.207437 S\n0.207437 0.792563 0.792563 S\n0.792563 0.207437 0.792563 S\n0.792563 0.792563 0.207437 S\n",
"nsites": 8,
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"elements": [
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"Cr",
"S"
],
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"density": 1.5941353627731547,
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"volume": 209.45504931646255,
"volume_molar": 15.767097373455993,
"formula_full": "Li3 Cr1 S4",
"formula_reduced": "Li3CrS4",
"formula_anonymous": "AB3C4",
"energy": -41.30592562,
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"spacegroup": 215
},
{
"id": "mp-680450",
"created_at": "2022-09-04T14:47:13.296095Z",
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},
{
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"structure_string": "Li4 Ti4 P8 O28\n1.0\n8.355659 0.000000 0.000000\n0.000000 7.074779 0.000000\n0.000000 3.799260 8.292942\nLi Ti P O\n4 4 8 28\ndirect\n0.946548 0.706592 0.165966 Li\n0.446548 0.293408 0.334034 Li\n0.553452 0.706592 0.665966 Li\n0.053452 0.293408 0.834034 Li\n0.572195 0.764016 0.110559 Ti\n0.072195 0.235984 0.389441 Ti\n0.927805 0.764016 0.610559 Ti\n0.427805 0.235984 0.889441 Ti\n0.730408 0.464102 0.466707 P\n0.230408 0.535898 0.033293 P\n0.737936 0.058916 0.756439 P\n0.237936 0.941084 0.743561 P\n0.762064 0.058916 0.256439 P\n0.262064 0.941084 0.243561 P\n0.769592 0.464102 0.966707 P\n0.269592 0.535898 0.533293 P\n0.596610 0.522895 0.341649 O\n0.892522 0.420780 0.404151 O\n0.751576 0.619155 0.043766 O\n0.251576 0.380845 0.456234 O\n0.392522 0.579220 0.095849 O\n0.664669 0.251997 0.603586 O\n0.096610 0.477105 0.158351 O\n0.248218 0.115220 0.803570 O\n0.890081 0.114842 0.813794 O\n0.597022 0.013263 0.882488 O\n0.835331 0.251997 0.103586 O\n0.097022 0.986737 0.617512 O\n0.251782 0.115220 0.303570 O\n0.609919 0.114842 0.313794 O\n0.390081 0.885158 0.686206 O\n0.748218 0.884780 0.696430 O\n0.902978 0.013263 0.382488 O\n0.164669 0.748003 0.896414 O\n0.402978 0.986737 0.117512 O\n0.109919 0.885158 0.186206 O\n0.751782 0.884780 0.196430 O\n0.903390 0.522895 0.841649 O\n0.335331 0.748003 0.396414 O\n0.607478 0.420780 0.904151 O\n0.748424 0.619155 0.543766 O\n0.248424 0.380845 0.956234 O\n0.107478 0.579220 0.595849 O\n0.403390 0.477105 0.658351 O\n",
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{
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{
"id": "mp-1048315",
"created_at": "2022-09-04T14:47:13.467396Z",
"structure_string": "Sr4 Y2 Bi4 O14\n1.0\n-14.906150 2.826661 2.912137\n14.906150 -2.826661 2.912137\n14.906150 2.826661 -2.912137\nSr Y Bi O\n4 2 4 14\ndirect\n0.871242 0.780342 0.708299 Sr\n0.072042 0.162943 0.291701 Sr\n0.871242 0.662943 0.590900 Sr\n0.072042 0.280342 0.409100 Sr\n0.004052 0.504052 0.500000 Y\n0.004052 0.004052 0.000000 Y\n0.512192 0.432983 0.917651 Bi\n0.515331 0.594540 0.082349 Bi\n0.512192 0.094540 0.579210 Bi\n0.515331 0.932983 0.420790 Bi\n0.037724 0.997813 0.539910 O\n0.457905 0.497813 0.460090 O\n0.493574 0.199685 0.204215 O\n0.995469 0.289360 0.795785 O\n0.493574 0.789359 0.793890 O\n0.995469 0.699685 0.206110 O\n0.512216 0.710035 0.710190 O\n0.999845 0.802024 0.289810 O\n0.512216 0.302024 0.302181 O\n0.999845 0.210035 0.697819 O\n0.650493 0.947591 0.397095 O\n0.550496 0.253395 0.602905 O\n0.650493 0.753395 0.202901 O\n0.550496 0.447591 0.797099 O\n",
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],
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]
}