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{
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"results": [
{
"id": "mp-1227030",
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"structure_string": "Ca1 Sm1 Al4\n1.0\n0.000000 3.995139 3.995139\n3.995139 0.000000 3.995139\n3.995139 3.995139 0.000000\nCa Sm Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sm\n0.625000 0.625000 0.125000 Al\n0.625000 0.125000 0.625000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n",
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{
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"structure_string": "Sr4 Zr4 S12\n1.0\n6.792156 0.000000 0.000000\n0.000000 7.184203 0.000000\n0.000000 0.000000 9.846142\nSr Zr S\n4 4 12\ndirect\n0.475011 0.080130 0.250000 Sr\n0.975011 0.419870 0.750000 Sr\n0.024989 0.580130 0.250000 Sr\n0.524989 0.919870 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Zr\n0.401723 0.519885 0.750000 S\n0.901723 0.980115 0.250000 S\n0.098277 0.019885 0.750000 S\n0.598277 0.480115 0.250000 S\n0.192293 0.303219 0.050523 S\n0.692293 0.196781 0.949477 S\n0.307707 0.803219 0.449477 S\n0.807707 0.696781 0.550523 S\n0.192293 0.303219 0.449477 S\n0.692293 0.196781 0.550523 S\n0.307707 0.803219 0.050523 S\n0.807707 0.696781 0.949477 S\n",
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},
{
"id": "mp-1208881",
"created_at": "2022-09-04T14:44:25.364819Z",
"structure_string": "Sr4 Ca2 Sb2 O12\n1.0\n5.995385 0.000000 0.000000\n0.000000 5.891866 0.000000\n0.000000 5.878679 8.370534\nSr Ca Sb O\n4 2 2 12\ndirect\n0.457748 0.239128 0.749877 Sr\n0.542252 0.760872 0.250123 Sr\n0.957748 0.760872 0.750123 Sr\n0.042252 0.239128 0.249877 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.729369 0.861945 0.949900 O\n0.270631 0.138055 0.050100 O\n0.229369 0.138055 0.550100 O\n0.770631 0.861945 0.449900 O\n0.031308 0.317402 0.769353 O\n0.968692 0.682598 0.230647 O\n0.531308 0.682598 0.730647 O\n0.468692 0.317402 0.269353 O\n0.193199 0.770048 0.958086 O\n0.806801 0.229952 0.041914 O\n0.693199 0.229952 0.541914 O\n0.306801 0.770048 0.458086 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Ca-O-Sb-Sr",
"density": 4.864279290125704,
"density_atomic": 0.0676405130185784,
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"formula_full": "Sr4 Ca2 Sb2 O12",
"formula_reduced": "Sr2CaSbO6",
"formula_anonymous": "ABC2D6",
"energy": -133.22759758,
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"updated_at": "2021-11-28T01:36:45.277000Z",
"spacegroup": 14
},
{
"id": "mp-370",
"created_at": "2022-09-04T14:44:25.485316Z",
"structure_string": "Cd1 S1\n1.0\n0.000000 2.753244 2.753244\n2.753244 0.000000 2.753244\n2.753244 2.753244 0.000000\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 S\n",
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"elements": [
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"updated_at": "2021-11-28T01:36:35.532000Z",
"spacegroup": 225
},
{
"id": "mp-1099101",
"created_at": "2022-09-04T14:44:25.366066Z",
"structure_string": "K1 Mg14 Si1\n1.0\n3.091815 -6.089742 0.000000\n3.091815 6.089742 0.000000\n0.000000 0.000000 10.235806\nK Mg Si\n1 14 1\ndirect\n0.814219 0.185781 0.500000 K\n0.833249 0.166751 0.000000 Mg\n0.326772 0.673228 0.000000 Mg\n0.321841 0.191660 0.500000 Mg\n0.323918 0.166264 0.000000 Mg\n0.808340 0.678159 0.500000 Mg\n0.833736 0.676082 0.000000 Mg\n0.181053 0.337319 0.246718 Mg\n0.181053 0.337319 0.753282 Mg\n0.662681 0.818947 0.246718 Mg\n0.662681 0.818947 0.753282 Mg\n0.660353 0.339647 0.234611 Mg\n0.660353 0.339647 0.765389 Mg\n0.179975 0.820025 0.274179 Mg\n0.179975 0.820025 0.725821 Mg\n0.369807 0.630193 0.500000 Si\n",
"nsites": 16,
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"elements": [
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"Mg",
"Si"
],
"chemical_system": "K-Mg-Si",
"density": 1.7553472159979895,
"density_atomic": 0.04151026897701623,
"volume": 385.4467917049398,
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"formula_full": "K1 Mg14 Si1",
"formula_reduced": "KMg14Si",
"formula_anonymous": "ABC14",
"energy": -26.96936458,
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"updated_at": "2021-11-28T01:36:38.828000Z",
"spacegroup": 38
},
{
"id": "mp-1029652",
"created_at": "2022-09-04T14:44:25.394390Z",
"structure_string": "Y6 Si12 N22\n1.0\n9.970619 0.000000 0.000000\n0.000000 9.970619 0.000000\n0.000000 0.000000 4.891192\nY Si N\n6 12 22\ndirect\n0.317077 0.817077 0.985054 Y\n0.682923 0.182923 0.985054 Y\n0.182923 0.317077 0.985054 Y\n0.817077 0.682923 0.985054 Y\n0.500000 0.500000 0.974294 Y\n0.000000 0.000000 0.974294 Y\n0.419582 0.292199 0.532591 Si\n0.580418 0.707801 0.532591 Si\n0.080418 0.792199 0.532591 Si\n0.919582 0.207801 0.532591 Si\n0.292199 0.580418 0.532591 Si\n0.707801 0.419582 0.532591 Si\n0.792199 0.919582 0.532591 Si\n0.207801 0.080418 0.532591 Si\n0.880809 0.380809 0.045229 Si\n0.119191 0.619191 0.045229 Si\n0.619191 0.880809 0.045229 Si\n0.380809 0.119191 0.045229 Si\n0.318672 0.421331 0.654820 N\n0.681328 0.578669 0.654820 N\n0.181328 0.921331 0.654820 N\n0.818672 0.078669 0.654820 N\n0.421331 0.681328 0.654820 N\n0.578669 0.318672 0.654820 N\n0.921331 0.818672 0.654820 N\n0.078669 0.181328 0.654820 N\n0.420365 0.276794 0.178631 N\n0.579635 0.723206 0.178631 N\n0.079635 0.776794 0.178631 N\n0.920365 0.223206 0.178631 N\n0.276794 0.579635 0.178631 N\n0.723206 0.420365 0.178631 N\n0.776794 0.920365 0.178631 N\n0.223206 0.079635 0.178631 N\n0.846611 0.346611 0.697831 N\n0.153389 0.653389 0.697831 N\n0.653389 0.846611 0.697831 N\n0.346611 0.153389 0.697831 N\n0.500000 0.000000 0.073850 N\n0.000000 0.500000 0.073850 N\n",
"nsites": 40,
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"elements": [
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"Si",
"N"
],
"chemical_system": "N-Si-Y",
"density": 4.024942800521057,
"density_atomic": 0.0822623359803117,
"volume": 486.2492600450031,
"volume_molar": 7.320653721092132,
"formula_full": "Y6 Si12 N22",
"formula_reduced": "Y3Si6N11",
"formula_anonymous": "A3B6C11",
"energy": -347.71084637,
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"updated_at": "2021-11-28T01:36:40.599000Z",
"spacegroup": 100
},
{
"id": "mp-1522519",
"created_at": "2022-09-04T14:44:25.411140Z",
"structure_string": "K1 Nd1 Sn1 W1 O6\n1.0\n-0.000000 -4.280207 -4.280207\n4.280207 0.000000 -4.280207\n4.280207 -4.280207 -0.000000\nK Nd Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n-0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.727977 0.272023 0.272023 O\n0.272023 0.727977 0.727977 O\n0.727977 0.272023 0.727977 O\n0.272023 0.727977 0.272023 O\n0.727977 0.727977 0.272023 O\n0.272023 0.272023 0.727977 O\n",
"nsites": 10,
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"elements": [
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"Nd",
"Sn",
"W",
"O"
],
"chemical_system": "K-Nd-O-Sn-W",
"density": 6.161170307707291,
"density_atomic": 0.06376401944256153,
"volume": 156.82825655318004,
"volume_molar": 9.444418361086425,
"formula_full": "K1 Nd1 Sn1 W1 O6",
"formula_reduced": "KNdSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -76.47511882,
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"updated_at": "2021-11-28T01:36:33.286000Z",
"spacegroup": 216
},
{
"id": "mp-1217556",
"created_at": "2022-09-04T14:44:26.226785Z",
"structure_string": "Tb1 Er1 Te2\n1.0\n4.338624 0.000000 0.000000\n0.000000 4.338624 0.000000\n0.000000 0.000000 6.164607\nTb Er Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"volume": 116.0404551877852,
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"formula_full": "Tb1 Er1 Te2",
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"energy": -21.35649082,
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"spacegroup": 123
},
{
"id": "mp-638022",
"created_at": "2022-09-04T14:44:26.584700Z",
"structure_string": "Sb32 Pb40 S88\n1.0\n23.850824 0.000000 0.000000\n0.000000 8.161898 0.000000\n0.000000 4.000721 21.711562\nSb Pb S\n32 40 88\ndirect\n0.731439 0.656439 0.438350 Sb\n0.231439 0.843561 0.061650 Sb\n0.620356 0.620633 0.015138 Sb\n0.062269 0.362100 0.969114 Sb\n0.716231 0.566051 0.613364 Sb\n0.043821 0.482969 0.790428 Sb\n0.604641 0.944400 0.375961 Sb\n0.104641 0.555600 0.124039 Sb\n0.120356 0.879367 0.484862 Sb\n0.879644 0.120633 0.515138 Sb\n0.465321 0.481134 0.281723 Sb\n0.937731 0.637900 0.030886 Sb\n0.965321 0.018866 0.218277 Sb\n0.534679 0.518866 0.718277 Sb\n0.562269 0.137900 0.530886 Sb\n0.437731 0.862100 0.469114 Sb\n0.456179 0.982969 0.290428 Sb\n0.309527 0.937645 0.369538 Sb\n0.956179 0.517031 0.209572 Sb\n0.809527 0.562355 0.130462 Sb\n0.190473 0.437645 0.869538 Sb\n0.690473 0.062355 0.630462 Sb\n0.768561 0.156439 0.938350 Sb\n0.543821 0.017031 0.709572 Sb\n0.268561 0.343561 0.561650 Sb\n0.395359 0.055600 0.624039 Sb\n0.034679 0.981134 0.781723 Sb\n0.283769 0.433949 0.386636 Sb\n0.783769 0.066051 0.113364 Sb\n0.379644 0.379367 0.984862 Sb\n0.895359 0.444400 0.875961 Sb\n0.216231 0.933949 0.886636 Sb\n0.839782 0.281779 0.691827 Pb\n0.069595 0.897210 0.953010 Pb\n0.677519 0.730187 0.791308 Pb\n0.930405 0.102790 0.046990 Pb\n0.838646 0.774108 0.693530 Pb\n0.661354 0.274108 0.193530 Pb\n0.569595 0.602790 0.546990 Pb\n0.500231 0.179539 0.877181 Pb\n0.094935 0.072144 0.131073 Pb\n0.233020 0.356659 0.040379 Pb\n0.161354 0.225892 0.306470 Pb\n0.266980 0.856659 0.540379 Pb\n0.322481 0.269813 0.208692 Pb\n0.999840 0.186947 0.388702 Pb\n0.499769 0.820461 0.122819 Pb\n0.160218 0.718221 0.308173 Pb\n0.999769 0.679539 0.377181 Pb\n0.430405 0.397210 0.453010 Pb\n0.766980 0.643341 0.959621 Pb\n0.000231 0.320461 0.622819 Pb\n0.339782 0.218221 0.808173 Pb\n0.674965 0.226728 0.795058 Pb\n0.338646 0.725892 0.806470 Pb\n0.500160 0.686947 0.888702 Pb\n0.365024 0.881801 0.985975 Pb\n0.594935 0.427856 0.368927 Pb\n0.822481 0.230187 0.291308 Pb\n0.177519 0.769813 0.708692 Pb\n0.865024 0.618199 0.514025 Pb\n0.634976 0.118199 0.014025 Pb\n0.660218 0.781779 0.191827 Pb\n0.174965 0.273272 0.704942 Pb\n0.825035 0.726728 0.295058 Pb\n0.325035 0.773272 0.204942 Pb\n0.905065 0.927856 0.868927 Pb\n0.000160 0.813053 0.611298 Pb\n0.499840 0.313053 0.111298 Pb\n0.733020 0.143341 0.459621 Pb\n0.405065 0.572144 0.631073 Pb\n0.134976 0.381801 0.485975 Pb\n0.914643 0.555508 0.631940 S\n0.444321 0.141479 0.014073 S\n0.633917 0.370406 0.488938 S\n0.911841 0.972501 0.314406 S\n0.908314 0.064848 0.626150 S\n0.251181 0.483428 0.278264 S\n0.973251 0.757323 0.754737 S\n0.280224 0.689364 0.919129 S\n0.588159 0.472501 0.814406 S\n0.328564 0.286459 0.656187 S\n0.375002 0.734472 0.332728 S\n0.472862 0.267601 0.748383 S\n0.439407 0.601806 0.011278 S\n0.408314 0.435152 0.873850 S\n0.249471 0.987978 0.276790 S\n0.527138 0.732399 0.251617 S\n0.751181 0.016572 0.221736 S\n0.793209 0.447020 0.402179 S\n0.375255 0.185093 0.326918 S\n0.750529 0.012022 0.723210 S\n0.473251 0.742677 0.745263 S\n0.780224 0.810636 0.580871 S\n0.972862 0.232399 0.751617 S\n0.987164 0.171642 0.935007 S\n0.055679 0.641479 0.514073 S\n0.171436 0.786459 0.156187 S\n0.327274 0.813886 0.654346 S\n0.875255 0.314907 0.173082 S\n0.719776 0.310636 0.080871 S\n0.480945 0.851691 0.571372 S\n0.091686 0.935152 0.373850 S\n0.671436 0.713541 0.343813 S\n0.828564 0.213541 0.843813 S\n0.295383 0.605992 0.094326 S\n0.672726 0.186114 0.345654 S\n0.584300 0.969773 0.813427 S\n0.085357 0.444492 0.368060 S\n0.411841 0.527499 0.185594 S\n0.980945 0.648309 0.928628 S\n0.124998 0.234472 0.832728 S\n0.749471 0.512022 0.223210 S\n0.206791 0.552980 0.597821 S\n0.084300 0.530227 0.686573 S\n0.276602 0.156331 0.916783 S\n0.866083 0.870406 0.988938 S\n0.414643 0.944492 0.868060 S\n0.939407 0.898194 0.488722 S\n0.223398 0.656331 0.416783 S\n0.723398 0.843669 0.083217 S\n0.248819 0.983428 0.778264 S\n0.133917 0.129594 0.011062 S\n0.293209 0.052980 0.097821 S\n0.915700 0.469773 0.313427 S\n0.860577 0.389407 0.982163 S\n0.012836 0.828358 0.064993 S\n0.026749 0.242677 0.245263 S\n0.219776 0.189364 0.419129 S\n0.415700 0.030227 0.186573 S\n0.519055 0.148309 0.428628 S\n0.366083 0.629594 0.511062 S\n0.487164 0.328358 0.564993 S\n0.360577 0.110593 0.517837 S\n0.624998 0.265528 0.667272 S\n0.512836 0.671642 0.435007 S\n0.250529 0.487978 0.776790 S\n0.776602 0.343669 0.583217 S\n0.875002 0.765528 0.167272 S\n0.555679 0.858521 0.985927 S\n0.827274 0.686114 0.845654 S\n0.560593 0.398194 0.988722 S\n0.019055 0.351691 0.071372 S\n0.172726 0.313886 0.154346 S\n0.639423 0.889407 0.482163 S\n0.706791 0.947020 0.902179 S\n0.204617 0.105992 0.594326 S\n0.526749 0.257323 0.254737 S\n0.624745 0.814907 0.673082 S\n0.944321 0.358521 0.485927 S\n0.027138 0.767601 0.248383 S\n0.704617 0.394008 0.905674 S\n0.795383 0.894008 0.405674 S\n0.585357 0.055508 0.131940 S\n0.088159 0.027499 0.685594 S\n0.124745 0.685093 0.826918 S\n0.060593 0.101806 0.511278 S\n0.748819 0.516572 0.721736 S\n0.591686 0.564848 0.126150 S\n0.139423 0.610593 0.017837 S\n",
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},
{
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"structure_string": "Ce3 Sn3 Ir3\n1.0\n3.748774 -6.493066 0.000000\n3.748774 6.493066 0.000000\n0.000000 0.000000 4.084436\nCe Sn Ir\n3 3 3\ndirect\n0.413018 0.413018 0.000000 Ce\n0.586982 0.000000 0.000000 Ce\n0.000000 0.586982 0.000000 Ce\n0.000000 0.253294 0.500000 Sn\n0.746706 0.746706 0.500000 Sn\n0.253294 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Ir\n0.666667 0.333333 0.500000 Ir\n0.333333 0.666667 0.500000 Ir\n",
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"formula_full": "Ce3 Sn3 Ir3",
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{
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"structure_string": "Pr4 In5 Cu19\n1.0\n5.135515 0.000000 0.000000\n0.000000 8.489767 0.000000\n0.000000 0.081592 10.747790\nPr In Cu\n4 5 19\ndirect\n0.000000 0.756446 0.936964 Pr\n0.000000 0.254642 0.566854 Pr\n0.500000 0.241060 0.048246 Pr\n0.500000 0.746251 0.443655 Pr\n0.000000 0.640298 0.638982 In\n0.000000 0.140171 0.861414 In\n0.500000 0.363255 0.369885 In\n0.500000 0.863491 0.137681 In\n0.000000 0.312084 0.242186 In\n0.000000 0.045777 0.102247 Cu\n0.000000 0.567493 0.396764 Cu\n0.500000 0.940648 0.892066 Cu\n0.500000 0.443747 0.609222 Cu\n0.251093 0.933780 0.689370 Cu\n0.747538 0.433933 0.810946 Cu\n0.743910 0.055850 0.313594 Cu\n0.254515 0.576730 0.186536 Cu\n0.256090 0.055850 0.313594 Cu\n0.745485 0.576730 0.186536 Cu\n0.748907 0.933780 0.689370 Cu\n0.252462 0.433933 0.810946 Cu\n0.000000 0.422475 0.009092 Cu\n0.000000 0.917100 0.486346 Cu\n0.500000 0.580996 0.984520 Cu\n0.500000 0.081073 0.516469 Cu\n0.000000 0.814674 0.257947 Cu\n0.500000 0.684301 0.756602 Cu\n0.500000 0.183435 0.741965 Cu\n",
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{
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"structure_string": "Dy4 Co1 Sn8\n1.0\n0.000000 0.000000 4.378251\n4.449534 0.000000 0.000000\n0.000000 16.742070 0.000000\nDy Co Sn\n4 1 8\ndirect\n0.250000 0.000000 0.098218 Dy\n0.250000 0.500000 0.601324 Dy\n0.750000 0.500000 0.395800 Dy\n0.750000 0.000000 0.899682 Dy\n0.250000 0.000000 0.306596 Co\n0.250000 0.000000 0.452958 Sn\n0.250000 0.500000 0.937732 Sn\n0.750000 0.500000 0.062215 Sn\n0.750000 0.000000 0.571561 Sn\n0.250000 0.500000 0.236946 Sn\n0.250000 0.000000 0.746023 Sn\n0.750000 0.000000 0.237347 Sn\n0.750000 0.500000 0.753599 Sn\n",
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],
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"formula_full": "Dy4 Co1 Sn8",
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]
}