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{
"count": 146323,
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{
"id": "mp-558834",
"created_at": "2022-09-04T14:44:54.954741Z",
"structure_string": "Eu8 B20 Br4 O36\n1.0\n6.545083 0.000000 0.000000\n0.000000 11.496952 0.000000\n0.000000 0.000000 11.625361\nEu B Br O\n8 20 4 36\ndirect\n0.846444 0.262103 0.533116 Eu\n0.346444 0.762103 0.966884 Eu\n0.002880 0.049275 0.254962 Eu\n0.346444 0.237897 0.033116 Eu\n0.002880 0.950725 0.745038 Eu\n0.846444 0.737897 0.466884 Eu\n0.502880 0.549275 0.245038 Eu\n0.502880 0.450725 0.754962 Eu\n0.810088 0.736433 0.036013 B\n0.973495 0.503049 0.750680 B\n0.848021 0.298359 0.186759 B\n0.973495 0.496951 0.249320 B\n0.473495 0.003049 0.749320 B\n0.473495 0.996951 0.250680 B\n0.699406 0.824899 0.224760 B\n0.848021 0.701641 0.813241 B\n0.031580 0.719681 0.205450 B\n0.310088 0.763567 0.536013 B\n0.031580 0.280319 0.794550 B\n0.531580 0.780319 0.705450 B\n0.810088 0.263567 0.963987 B\n0.348021 0.201641 0.686759 B\n0.199406 0.675101 0.724760 B\n0.348021 0.798359 0.313241 B\n0.199406 0.324899 0.275240 B\n0.699406 0.175101 0.775240 B\n0.310088 0.236433 0.463987 B\n0.531580 0.219681 0.294550 B\n0.131558 0.000000 0.000000 Br\n0.869476 0.000000 0.500000 Br\n0.631558 0.500000 0.500000 Br\n0.369476 0.500000 0.000000 Br\n0.749155 0.268730 0.076288 O\n0.657934 0.047562 0.783752 O\n0.569111 0.230045 0.685954 O\n0.154189 0.731561 0.611603 O\n0.001937 0.287181 0.923100 O\n0.249155 0.768730 0.423712 O\n0.750523 0.772977 0.722778 O\n0.749155 0.731270 0.923712 O\n0.569111 0.769955 0.314046 O\n0.930079 0.613877 0.261180 O\n0.750523 0.227023 0.277222 O\n0.069111 0.269955 0.185954 O\n0.657934 0.952438 0.216248 O\n0.820067 0.573772 0.791789 O\n0.157934 0.547562 0.716248 O\n0.930079 0.386123 0.738820 O\n0.320067 0.073772 0.708211 O\n0.416424 0.682271 0.754610 O\n0.154189 0.268439 0.388397 O\n0.069111 0.730045 0.814046 O\n0.654189 0.231561 0.888397 O\n0.501937 0.787181 0.576900 O\n0.430079 0.113877 0.238820 O\n0.654189 0.768439 0.111603 O\n0.916424 0.817729 0.254610 O\n0.501937 0.212819 0.423100 O\n0.320067 0.926228 0.291789 O\n0.820067 0.426228 0.208211 O\n0.430079 0.886123 0.761180 O\n0.157934 0.452438 0.283752 O\n0.250523 0.727023 0.222778 O\n0.001937 0.712819 0.076900 O\n0.916424 0.182271 0.745390 O\n0.250523 0.272977 0.777222 O\n0.249155 0.231270 0.576288 O\n0.416424 0.317729 0.245390 O\n",
"nsites": 68,
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"elements": [
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"B",
"Br",
"O"
],
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"density": 4.418139138556761,
"density_atomic": 0.07773284953166196,
"volume": 874.7910363468974,
"volume_molar": 7.747227583040136,
"formula_full": "Eu8 B20 Br4 O36",
"formula_reduced": "Eu2B5BrO9",
"formula_anonymous": "AB2C5D9",
"energy": -604.1276929300001,
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"updated_at": "2021-11-28T01:36:44.050000Z",
"spacegroup": 34
},
{
"id": "mp-726927",
"created_at": "2022-09-04T14:43:13.198426Z",
"structure_string": "B2 Os6 C20 O20\n1.0\n7.690497 0.000000 0.000000\n2.682585 9.104357 0.000000\n3.838283 1.097493 12.493873\nB Os C O\n2 6 20 20\ndirect\n0.681498 0.746645 0.345079 B\n0.318502 0.253355 0.654921 B\n0.703438 0.961435 0.263848 Os\n0.296562 0.038565 0.736152 Os\n0.645208 0.756497 0.170597 Os\n0.354792 0.243503 0.829403 Os\n0.935924 0.613660 0.250063 Os\n0.064076 0.386340 0.749937 Os\n0.566253 0.702379 0.449361 C\n0.433747 0.297621 0.550639 C\n0.834417 0.085401 0.152516 C\n0.165583 0.914599 0.847484 C\n0.491452 0.114706 0.309901 C\n0.508548 0.885294 0.690099 C\n0.790829 0.984486 0.380660 C\n0.209171 0.015514 0.619340 C\n0.647453 0.779390 0.023647 C\n0.352547 0.220610 0.976353 C\n0.598509 0.564769 0.193211 C\n0.401491 0.435231 0.806789 C\n0.391750 0.869920 0.212421 C\n0.608250 0.130080 0.787579 C\n0.956200 0.411234 0.286883 C\n0.043800 0.588766 0.713117 C\n0.148717 0.592355 0.124368 C\n0.851283 0.407645 0.875632 C\n0.059505 0.610872 0.357042 C\n0.940495 0.389128 0.642958 C\n0.472460 0.664920 0.530535 O\n0.527540 0.335080 0.469465 O\n0.919087 0.162989 0.094073 O\n0.080913 0.837011 0.905927 O\n0.352813 0.204654 0.337581 O\n0.647187 0.795346 0.662419 O\n0.837841 0.994637 0.455076 O\n0.162159 0.005363 0.544924 O\n0.647341 0.794156 0.933407 O\n0.352659 0.205844 0.066593 O\n0.552130 0.454638 0.217458 O\n0.447870 0.545362 0.782542 O\n0.233219 0.924528 0.247628 O\n0.766781 0.075472 0.752372 O\n0.955289 0.287375 0.307915 O\n0.044711 0.712625 0.692085 O\n0.286400 0.579845 0.055669 O\n0.713600 0.420155 0.944331 O\n0.131345 0.609166 0.424123 O\n0.868655 0.390834 0.575877 O\n",
"nsites": 48,
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"elements": [
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"O"
],
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"density": 3.271033699872163,
"density_atomic": 0.05487069541103531,
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"volume_molar": 10.975149330418105,
"formula_full": "B2 Os6 C20 O20",
"formula_reduced": "BOs3(CO)10",
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"spacegroup": 2
},
{
"id": "mp-1204344",
"created_at": "2022-09-04T14:42:47.854202Z",
"structure_string": "Ga40 Cu1 Mo8\n1.0\n6.505265 -7.056197 0.000000\n6.505265 7.056197 0.000000\n-1.148522 0.000000 9.528341\nGa Cu Mo\n40 1 8\ndirect\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.365201 0.734221 0.388522 Ga\n0.734221 0.388522 0.365201 Ga\n0.388522 0.365201 0.734221 Ga\n0.634799 0.265779 0.611478 Ga\n0.265779 0.611478 0.634799 Ga\n0.611478 0.634799 0.265779 Ga\n0.220566 0.324547 0.462274 Ga\n0.324547 0.462274 0.220566 Ga\n0.462274 0.220566 0.324547 Ga\n0.779434 0.675453 0.537726 Ga\n0.675453 0.537726 0.779434 Ga\n0.537726 0.779434 0.675453 Ga\n0.925673 0.221006 0.549851 Ga\n0.221006 0.549851 0.925673 Ga\n0.549851 0.925673 0.221006 Ga\n0.074327 0.778994 0.450149 Ga\n0.778994 0.450149 0.074327 Ga\n0.450149 0.074327 0.778994 Ga\n0.213246 0.031885 0.400220 Ga\n0.031885 0.400220 0.213246 Ga\n0.400220 0.213246 0.031885 Ga\n0.786754 0.968115 0.599780 Ga\n0.968115 0.599780 0.786754 Ga\n0.599780 0.786754 0.968115 Ga\n0.255388 0.945147 0.124358 Ga\n0.945147 0.124358 0.255388 Ga\n0.124358 0.255388 0.945147 Ga\n0.744612 0.054853 0.875642 Ga\n0.054853 0.875642 0.744612 Ga\n0.875642 0.744612 0.054853 Ga\n0.823264 0.874709 0.320360 Ga\n0.874709 0.320360 0.823264 Ga\n0.320360 0.823264 0.874709 Ga\n0.176736 0.125291 0.679640 Ga\n0.125291 0.679640 0.176736 Ga\n0.679640 0.176736 0.125291 Ga\n0.000000 0.000000 0.000000 Cu\n0.198774 0.198774 0.198774 Mo\n0.801226 0.801226 0.801226 Mo\n0.387568 0.708914 0.112311 Mo\n0.708914 0.112311 0.387568 Mo\n0.112311 0.387568 0.708914 Mo\n0.612432 0.291086 0.887689 Mo\n0.291086 0.887689 0.612432 Mo\n0.887689 0.612432 0.291086 Mo\n",
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"elements": [
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"Cu",
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],
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"density": 6.871839562836073,
"density_atomic": 0.05601613022674688,
"volume": 874.7480377822176,
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"formula_full": "Ga40 Cu1 Mo8",
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"formula_anonymous": "AB8C40",
"energy": -218.72757017,
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"updated_at": "2021-11-28T01:35:52.798000Z",
"spacegroup": 148
},
{
"id": "mp-1207713",
"created_at": "2022-09-04T14:46:29.884804Z",
"structure_string": "Zn4 H28 C16 N12 O28\n1.0\n6.759537 0.000000 0.000000\n0.000000 10.830347 0.000000\n0.000000 7.116691 11.948641\nZn H C N O\n4 28 16 12 28\ndirect\n0.809965 0.780082 0.048358 Zn\n0.190035 0.219918 0.951642 Zn\n0.309965 0.219918 0.451642 Zn\n0.690035 0.780082 0.548358 Zn\n0.154907 0.944305 0.102295 H\n0.845093 0.055695 0.897705 H\n0.654907 0.055695 0.397705 H\n0.345093 0.944305 0.602295 H\n0.387973 0.886964 0.398188 H\n0.612027 0.113036 0.601812 H\n0.887973 0.113036 0.101812 H\n0.112027 0.886964 0.898188 H\n0.468095 0.721836 0.187476 H\n0.531905 0.278164 0.812524 H\n0.968095 0.278164 0.312524 H\n0.031905 0.721836 0.687476 H\n0.446422 0.858566 0.067743 H\n0.553578 0.141434 0.932257 H\n0.946422 0.141434 0.432257 H\n0.053578 0.858566 0.567743 H\n0.831866 0.273597 0.006901 H\n0.168134 0.726403 0.993099 H\n0.331866 0.726403 0.493099 H\n0.668134 0.273597 0.506901 H\n0.817088 0.980769 0.360031 H\n0.182912 0.019231 0.639969 H\n0.317088 0.019231 0.139969 H\n0.682912 0.980769 0.860031 H\n0.859150 0.551754 0.292898 H\n0.140850 0.448246 0.707102 H\n0.359150 0.448246 0.207102 H\n0.640850 0.551754 0.792898 H\n0.831938 0.471281 0.130771 C\n0.168062 0.528719 0.869229 C\n0.331938 0.528719 0.369229 C\n0.668062 0.471281 0.630771 C\n0.760010 0.538814 0.012775 C\n0.239990 0.461186 0.987225 C\n0.260010 0.461186 0.487225 C\n0.739990 0.538814 0.512775 C\n0.885735 0.841086 0.247488 C\n0.114265 0.158914 0.752512 C\n0.385735 0.158914 0.252512 C\n0.614265 0.841086 0.747488 C\n0.830287 0.702279 0.350440 C\n0.169713 0.297721 0.649560 C\n0.330287 0.297721 0.149560 C\n0.669713 0.702279 0.850440 C\n0.771716 0.468658 0.458378 N\n0.228284 0.531342 0.541622 N\n0.271716 0.531342 0.041622 N\n0.728284 0.468658 0.958378 N\n0.774173 0.682224 0.449547 N\n0.225827 0.317776 0.550453 N\n0.274173 0.317776 0.050453 N\n0.725827 0.682224 0.949547 N\n0.830065 0.573394 0.356698 N\n0.169935 0.426606 0.643302 N\n0.330065 0.426606 0.143302 N\n0.669935 0.573394 0.856698 N\n0.861225 0.338340 0.185877 O\n0.138775 0.661660 0.814123 O\n0.361225 0.661660 0.314123 O\n0.638775 0.338340 0.685877 O\n0.861060 0.560451 0.164583 O\n0.138940 0.439549 0.835417 O\n0.361060 0.439549 0.335417 O\n0.638940 0.560451 0.664583 O\n0.772264 0.990797 0.424401 O\n0.227736 0.009203 0.575599 O\n0.272264 0.009203 0.075599 O\n0.727736 0.990797 0.924401 O\n0.939632 0.832420 0.163068 O\n0.060368 0.167580 0.836932 O\n0.439632 0.167580 0.336932 O\n0.560368 0.832420 0.663068 O\n0.396279 0.815964 0.479476 O\n0.603721 0.184036 0.520524 O\n0.896279 0.184036 0.020524 O\n0.103721 0.815964 0.979476 O\n0.518323 0.767175 0.108494 O\n0.481677 0.232825 0.891506 O\n0.018323 0.232825 0.391506 O\n0.981677 0.767175 0.608494 O\n0.880792 0.955000 0.250966 O\n0.119208 0.045000 0.749034 O\n0.380792 0.045000 0.249034 O\n0.619208 0.955000 0.750966 O\n",
"nsites": 88,
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"elements": [
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],
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"volume_molar": 5.986128897635122,
"formula_full": "Zn4 H28 C16 N12 O28",
"formula_reduced": "ZnH7C4N3O7",
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"energy": -579.46512277,
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"spacegroup": 14
},
{
"id": "mp-1233468",
"created_at": "2022-09-04T14:39:59.640626Z",
"structure_string": "Mg1 Fe6 Sb10 I6 O18\n1.0\n-7.499494 0.010963 -2.544312\n0.443805 0.308727 -9.341855\n-0.363580 -12.214578 -2.345505\nMg Fe Sb I O\n1 6 10 6 18\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.771521 0.975200 0.327832 Fe\n0.228479 0.024800 0.672168 Fe\n0.035001 0.950511 0.123947 Fe\n0.964999 0.049489 0.876053 Fe\n0.622488 0.086874 0.057181 Fe\n0.377512 0.913126 0.942819 Fe\n0.898997 0.188413 0.502817 Sb\n0.101003 0.811587 0.497183 Sb\n0.225057 0.184186 0.251153 Sb\n0.774943 0.815814 0.748847 Sb\n0.547178 0.188780 0.736895 Sb\n0.452822 0.811220 0.263105 Sb\n0.214592 0.262448 0.974332 Sb\n0.785408 0.737552 0.025668 Sb\n0.790153 0.314424 0.202432 Sb\n0.209847 0.685576 0.797568 Sb\n0.723013 0.343600 0.933204 I\n0.276987 0.656400 0.066796 I\n0.901105 0.675835 0.296483 I\n0.098895 0.324165 0.703517 I\n0.475461 0.319411 0.414740 I\n0.524539 0.680589 0.585260 I\n0.142923 0.068338 0.983879 O\n0.857077 0.931662 0.016121 O\n0.849358 0.974528 0.478461 O\n0.150642 0.025472 0.521539 O\n0.789304 0.103233 0.184528 O\n0.210696 0.896766 0.815472 O\n0.444496 0.127207 0.891244 O\n0.555504 0.872793 0.108756 O\n0.786932 0.030064 0.771458 O\n0.213068 0.969936 0.228542 O\n0.486107 0.035037 0.659866 O\n0.513893 0.964963 0.340134 O\n0.039934 0.285058 0.135995 O\n0.960066 0.714942 0.864005 O\n0.061885 0.777295 0.663248 O\n0.938115 0.222705 0.336752 O\n0.624147 0.804396 0.897758 O\n0.375853 0.195604 0.102242 O\n",
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"volume": 874.7294192273899,
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"formula_full": "Mg1 Fe6 Sb10 I6 O18",
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{
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{
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{
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}