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"results": [
{
"id": "mp-9842",
"created_at": "2022-09-04T14:47:24.847688Z",
"structure_string": "Rb2 Sm2 C4 O12\n1.0\n4.841326 4.448004 0.000000\n-4.841326 4.448004 0.000000\n0.000000 2.676923 6.817979\nRb Sm C O\n2 2 4 12\ndirect\n0.885830 0.114170 0.250000 Rb\n0.114170 0.885830 0.750000 Rb\n0.404111 0.595889 0.250000 Sm\n0.595889 0.404111 0.750000 Sm\n0.603842 0.851160 0.751958 C\n0.148840 0.396158 0.748042 C\n0.396158 0.148840 0.248042 C\n0.851160 0.603842 0.251958 C\n0.048643 0.601372 0.237476 O\n0.398628 0.951357 0.262524 O\n0.951357 0.398628 0.762524 O\n0.601372 0.048643 0.737476 O\n0.784496 0.734620 0.123685 O\n0.265380 0.215504 0.376315 O\n0.215504 0.265380 0.876315 O\n0.734620 0.784496 0.623685 O\n0.702608 0.468698 0.397020 O\n0.531302 0.297392 0.102980 O\n0.297392 0.531302 0.602980 O\n0.468698 0.702608 0.897020 O\n",
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},
{
"id": "mp-1209421",
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"structure_string": "Rb2 Sm2 Cl8 O8\n1.0\n7.085798 0.000000 0.000000\n0.000000 8.402903 0.000000\n0.000000 0.000000 8.704910\nRb Sm Cl O\n2 2 8 8\ndirect\n0.000000 0.090108 0.000000 Rb\n0.500000 0.909892 0.500000 Rb\n0.000000 0.409184 0.500000 Sm\n0.500000 0.590816 0.000000 Sm\n0.173235 0.590793 0.208869 Cl\n0.826765 0.590793 0.791131 Cl\n0.326765 0.409207 0.708869 Cl\n0.673235 0.409207 0.291131 Cl\n0.151742 0.173934 0.337870 Cl\n0.848258 0.173934 0.662130 Cl\n0.348258 0.826066 0.837870 Cl\n0.651742 0.826066 0.162130 Cl\n0.439693 0.161570 0.051270 O\n0.560307 0.161570 0.948730 O\n0.060307 0.838430 0.551270 O\n0.939693 0.838430 0.448730 O\n0.233033 0.571325 0.394486 O\n0.766967 0.571325 0.605514 O\n0.266967 0.428675 0.894486 O\n0.733033 0.428675 0.105514 O\n",
"nsites": 20,
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"formula_full": "Rb2 Sm2 Cl8 O8",
"formula_reduced": "RbSm(ClO)4",
"formula_anonymous": "ABC4D4",
"energy": -89.11298907,
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"updated_at": "2021-11-28T01:38:58.835000Z",
"spacegroup": 18
},
{
"id": "mp-1112430",
"created_at": "2022-09-04T14:48:28.447143Z",
"structure_string": "Rb2 Sm1 Cu1 Cl6\n1.0\n0.000000 5.262892 5.262892\n5.262892 0.000000 5.262892\n5.262892 5.262892 0.000000\nRb Sm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cu\n0.743701 0.256299 0.256299 Cl\n0.256299 0.256299 0.743701 Cl\n0.256299 0.743701 0.743701 Cl\n0.256299 0.743701 0.256299 Cl\n0.743701 0.256299 0.743701 Cl\n0.743701 0.743701 0.256299 Cl\n",
"nsites": 10,
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"elements": [
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"density": 3.403509411543625,
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"volume": 291.54350420081124,
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"formula_full": "Rb2 Sm1 Cu1 Cl6",
"formula_reduced": "Rb2SmCuCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:39:18.839000Z",
"spacegroup": 225
},
{
"id": "mp-10835",
"created_at": "2022-09-04T14:41:09.061903Z",
"structure_string": "Rb2 Sm4 Cu2 S8\n1.0\n2.026442 -7.008243 0.000000\n2.026442 7.008243 0.000000\n0.000000 0.000000 13.970381\nRb Sm Cu S\n2 4 2 8\ndirect\n0.106434 0.893566 0.250000 Rb\n0.893566 0.106434 0.750000 Rb\n0.634376 0.365624 0.938246 Sm\n0.365624 0.634376 0.438246 Sm\n0.634376 0.365624 0.561754 Sm\n0.365624 0.634376 0.061754 Sm\n0.164759 0.835241 0.750000 Cu\n0.835241 0.164759 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.424473 0.575527 0.250000 S\n0.575527 0.424473 0.750000 S\n0.740084 0.259916 0.388745 S\n0.259916 0.740084 0.888745 S\n0.259916 0.740084 0.611255 S\n0.740084 0.259916 0.111255 S\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Rb-S-Sm",
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"density_atomic": 0.040321660318331266,
"volume": 396.8090568117302,
"volume_molar": 14.935249968519226,
"formula_full": "Rb2 Sm4 Cu2 S8",
"formula_reduced": "RbSm2CuS4",
"formula_anonymous": "ABC2D4",
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"updated_at": "2021-11-28T01:35:12.240000Z",
"spacegroup": 63
},
{
"id": "mp-16116",
"created_at": "2022-09-04T14:41:36.719485Z",
"structure_string": "Rb2 Sm4 Cu2 Se8\n1.0\n2.103029 -7.276595 0.000000\n2.103029 7.276595 0.000000\n0.000000 0.000000 14.605389\nRb Sm Cu Se\n2 4 2 8\ndirect\n0.890959 0.109041 0.750000 Rb\n0.109041 0.890959 0.250000 Rb\n0.365580 0.634420 0.063209 Sm\n0.634420 0.365580 0.936791 Sm\n0.365580 0.634420 0.436791 Sm\n0.634420 0.365580 0.563209 Sm\n0.162209 0.837791 0.750000 Cu\n0.837791 0.162209 0.250000 Cu\n0.429385 0.570615 0.250000 Se\n0.570615 0.429385 0.750000 Se\n0.737719 0.262281 0.111966 Se\n0.262281 0.737719 0.888034 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.737719 0.262281 0.388034 Se\n0.262281 0.737719 0.611966 Se\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Rb-Se-Sm",
"density": 5.6878687476860215,
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"volume": 447.00933149436685,
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"formula_full": "Rb2 Sm4 Cu2 Se8",
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},
{
"id": "mp-567873",
"created_at": "2022-09-04T14:42:01.741362Z",
"structure_string": "Rb4 Sm4 Ge4 Se16\n1.0\n6.855651 0.000000 0.000000\n0.000000 7.121736 0.000000\n0.000000 0.000000 18.125346\nRb Sm Ge Se\n4 4 4 16\ndirect\n0.509862 0.995120 0.531459 Rb\n0.990138 0.004880 0.031459 Rb\n0.009862 0.504880 0.468541 Rb\n0.490138 0.495120 0.968541 Rb\n0.792704 0.020765 0.774237 Sm\n0.292704 0.479235 0.225763 Sm\n0.207296 0.520765 0.725763 Sm\n0.707296 0.979235 0.274237 Sm\n0.789781 0.513782 0.163713 Ge\n0.210219 0.013782 0.336287 Ge\n0.710219 0.486218 0.663713 Ge\n0.289781 0.986218 0.836287 Ge\n0.099558 0.083127 0.214845 Se\n0.445594 0.255244 0.358050 Se\n0.562882 0.986929 0.915161 Se\n0.095829 0.262521 0.850923 Se\n0.945594 0.244756 0.641950 Se\n0.404171 0.737479 0.350923 Se\n0.595829 0.237479 0.149077 Se\n0.400442 0.916873 0.714845 Se\n0.900442 0.583127 0.285155 Se\n0.599558 0.416873 0.785155 Se\n0.437118 0.486929 0.584839 Se\n0.904171 0.762521 0.649077 Se\n0.937118 0.013071 0.415161 Se\n0.554406 0.755244 0.141950 Se\n0.062882 0.513071 0.084839 Se\n0.054406 0.744756 0.858050 Se\n",
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],
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"formula_full": "Rb4 Sm4 Ge4 Se16",
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},
{
"id": "mp-714665",
"created_at": "2022-09-04T14:46:32.528179Z",
"structure_string": "Rb4 Sm4 Ge4 Se16\n1.0\n6.855651 0.000000 0.000000\n0.000000 7.121736 0.000000\n0.000000 0.000000 18.125346\nRb Sm Ge Se\n4 4 4 16\ndirect\n0.517004 0.993770 0.531284 Rb\n0.995833 0.002516 0.032911 Rb\n0.006028 0.498961 0.468855 Rb\n0.496145 0.497620 0.967324 Rb\n0.789179 0.017792 0.776350 Sm\n0.291452 0.472436 0.226262 Sm\n0.212952 0.524327 0.724727 Sm\n0.701673 0.982821 0.275286 Sm\n0.796255 0.512864 0.164931 Ge\n0.216108 0.014747 0.337870 Ge\n0.706772 0.480177 0.664238 Ge\n0.286567 0.981311 0.834733 Ge\n0.106681 0.082930 0.214257 Se\n0.451640 0.255456 0.356509 Se\n0.559662 0.983694 0.913037 Se\n0.089654 0.266197 0.851187 Se\n0.942680 0.241009 0.644006 Se\n0.397767 0.739027 0.352094 Se\n0.593652 0.233701 0.151251 Se\n0.407300 0.914988 0.715422 Se\n0.901415 0.581179 0.287780 Se\n0.598319 0.411794 0.787001 Se\n0.439907 0.493416 0.584824 Se\n0.909299 0.766505 0.647895 Se\n0.939119 0.006499 0.414553 Se\n0.552690 0.762059 0.142083 Se\n0.065881 0.506785 0.084366 Se\n0.050233 0.740440 0.856552 Se\n",
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"volume": 884.9543677599545,
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"formula_full": "Rb4 Sm4 Ge4 Se16",
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},
{
"id": "mp-1209294",
"created_at": "2022-09-04T14:45:53.925261Z",
"structure_string": "Rb4 Sm4 Mo8 O32\n1.0\n5.222732 0.000000 0.000000\n0.000000 8.308241 0.000000\n0.000000 0.000000 18.951728\nRb Sm Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.769178 Rb\n0.000000 0.250000 0.230822 Rb\n0.500000 0.250000 0.730822 Rb\n0.500000 0.750000 0.269178 Rb\n0.000000 0.750000 0.006276 Sm\n0.000000 0.250000 0.993724 Sm\n0.500000 0.250000 0.493724 Sm\n0.500000 0.750000 0.506276 Sm\n0.022638 0.516328 0.399190 Mo\n0.977362 0.483672 0.600810 Mo\n0.477362 0.016328 0.100810 Mo\n0.977362 0.983672 0.399190 Mo\n0.522638 0.983672 0.899190 Mo\n0.022638 0.016328 0.600810 Mo\n0.522638 0.483672 0.100810 Mo\n0.477362 0.516328 0.899190 Mo\n0.100959 0.974321 0.313142 O\n0.899041 0.025679 0.686858 O\n0.399041 0.474321 0.186858 O\n0.899041 0.525679 0.313142 O\n0.600959 0.525679 0.813142 O\n0.100959 0.474321 0.686858 O\n0.600959 0.025679 0.186858 O\n0.399041 0.974321 0.813142 O\n0.273355 0.841905 0.099447 O\n0.726645 0.158095 0.900553 O\n0.226645 0.341905 0.400553 O\n0.726645 0.658095 0.099447 O\n0.773355 0.658095 0.599447 O\n0.273355 0.341905 0.900553 O\n0.773355 0.158095 0.400553 O\n0.226645 0.841905 0.599447 O\n0.253035 0.502566 0.036554 O\n0.746965 0.497434 0.963446 O\n0.246965 0.002566 0.463446 O\n0.746965 0.997434 0.036554 O\n0.753035 0.997434 0.536554 O\n0.253035 0.002566 0.963446 O\n0.753035 0.497434 0.463446 O\n0.246965 0.502566 0.536554 O\n0.239606 0.686315 0.408381 O\n0.760394 0.313685 0.591619 O\n0.260394 0.186315 0.091619 O\n0.760394 0.813685 0.408381 O\n0.739606 0.813685 0.908381 O\n0.239606 0.186315 0.591619 O\n0.739606 0.313685 0.091619 O\n0.260394 0.686315 0.908381 O\n",
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"formula_full": "Rb4 Sm4 Mo8 O32",
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"spacegroup": 60
},
{
"id": "mp-1209152",
"created_at": "2022-09-04T14:43:40.566974Z",
"structure_string": "Rb2 Sm2 Mo4 O16\n1.0\n5.332841 5.454569 0.000000\n-5.332841 5.454569 0.000000\n0.000000 5.171618 5.909968\nRb Sm Mo O\n2 2 4 16\ndirect\n0.199306 0.800694 0.750000 Rb\n0.800694 0.199306 0.250000 Rb\n0.770273 0.229727 0.750000 Sm\n0.229727 0.770273 0.250000 Sm\n0.693862 0.695859 0.762245 Mo\n0.306138 0.304141 0.237755 Mo\n0.304141 0.306138 0.737755 Mo\n0.695859 0.693862 0.262245 Mo\n0.615942 0.764174 0.562895 O\n0.384058 0.235826 0.437105 O\n0.235826 0.384058 0.937105 O\n0.764174 0.615942 0.062895 O\n0.384203 0.072003 0.870979 O\n0.615797 0.927997 0.129021 O\n0.927997 0.615797 0.629021 O\n0.072003 0.384203 0.370979 O\n0.582385 0.368692 0.972941 O\n0.417615 0.631308 0.027059 O\n0.631308 0.417615 0.527059 O\n0.368692 0.582385 0.472941 O\n0.792882 0.948221 0.691782 O\n0.207118 0.051779 0.308218 O\n0.051779 0.207118 0.808218 O\n0.948221 0.792882 0.191782 O\n",
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"formula_full": "Rb2 Sm2 Mo4 O16",
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},
{
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},
{
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"formula_full": "Rb6 Sm2 P4 S16",
"formula_reduced": "Rb3Sm(PS4)2",
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},
{
"id": "mp-1210169",
"created_at": "2022-09-04T14:41:06.373119Z",
"structure_string": "Rb4 Sm4 S8 O48\n1.0\n20.113774 0.000000 0.000000\n0.000000 6.302217 0.000000\n0.000000 0.714961 8.992169\nRb Sm S O\n4 4 8 48\ndirect\n0.211831 0.846255 0.633589 Rb\n0.788169 0.153745 0.366411 Rb\n0.711831 0.153745 0.866411 Rb\n0.288169 0.846255 0.133589 Rb\n0.362447 0.374410 0.788731 Sm\n0.637553 0.625590 0.211269 Sm\n0.862447 0.625590 0.711269 Sm\n0.137553 0.374410 0.288731 Sm\n0.218847 0.378094 0.909827 S\n0.781153 0.621906 0.090173 S\n0.718847 0.621906 0.590173 S\n0.281153 0.378094 0.409827 S\n0.426903 0.808014 0.772407 S\n0.573097 0.191986 0.227593 S\n0.926903 0.191986 0.727593 S\n0.073097 0.808014 0.272407 S\n0.121184 0.176794 0.525378 O\n0.878816 0.823206 0.474622 O\n0.621184 0.823206 0.974622 O\n0.378816 0.176794 0.025378 O\n0.422222 0.649059 0.905799 O\n0.577778 0.350941 0.094201 O\n0.922222 0.350941 0.594201 O\n0.077778 0.649059 0.405799 O\n0.760193 0.817001 0.617873 O\n0.239807 0.182999 0.382127 O\n0.260193 0.182999 0.882127 O\n0.739807 0.817001 0.117873 O\n0.473760 0.325970 0.635851 O\n0.526240 0.674030 0.364149 O\n0.973760 0.674030 0.864149 O\n0.026240 0.325970 0.135851 O\n0.078183 0.765341 0.826347 O\n0.921817 0.234659 0.173653 O\n0.578183 0.234659 0.673653 O\n0.421817 0.765341 0.326347 O\n0.163780 0.405818 0.805648 O\n0.836220 0.594182 0.194352 O\n0.663780 0.594182 0.694352 O\n0.336220 0.405818 0.305648 O\n0.385352 0.714291 0.654949 O\n0.614648 0.285709 0.345051 O\n0.885352 0.285709 0.845051 O\n0.114648 0.714291 0.154949 O\n0.303144 0.357613 0.567577 O\n0.696856 0.642387 0.432423 O\n0.803144 0.642387 0.932423 O\n0.196856 0.357613 0.067577 O\n0.268169 0.560518 0.887856 O\n0.731831 0.439482 0.112144 O\n0.768169 0.439482 0.612144 O\n0.231831 0.560518 0.387856 O\n0.494488 0.856979 0.727399 O\n0.505512 0.143021 0.272601 O\n0.994488 0.143021 0.772601 O\n0.005512 0.856979 0.227399 O\n0.024131 0.707119 0.771882 O\n0.975869 0.292881 0.228118 O\n0.524131 0.292881 0.728118 O\n0.475869 0.707119 0.271882 O\n0.390054 0.010387 0.807702 O\n0.609946 0.989613 0.192298 O\n0.890054 0.989613 0.692298 O\n0.109946 0.010387 0.307702 O\n",
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}
]
}