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{
"id": "mp-557850",
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"structure_string": "Sr4 Fe4 P4 O16 F8\n1.0\n12.441684 0.000000 0.000000\n0.000000 5.266424 0.000000\n0.000000 3.626725 6.949252\nSr Fe P O F\n4 4 4 16 8\ndirect\n0.793772 0.854510 0.687529 Sr\n0.206228 0.145490 0.312471 Sr\n0.293772 0.145490 0.812471 Sr\n0.706228 0.854510 0.187529 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.614773 0.370439 0.695246 P\n0.114773 0.629561 0.804754 P\n0.385227 0.629561 0.304754 P\n0.885227 0.370439 0.195246 P\n0.877241 0.704168 0.057773 O\n0.718361 0.262702 0.811357 O\n0.281639 0.737298 0.188643 O\n0.622759 0.704168 0.557773 O\n0.399356 0.776075 0.435331 O\n0.515091 0.318034 0.828217 O\n0.015091 0.681966 0.671783 O\n0.100644 0.776075 0.935331 O\n0.781639 0.262702 0.311357 O\n0.122759 0.295832 0.942227 O\n0.984909 0.318034 0.328217 O\n0.600644 0.223925 0.564669 O\n0.484909 0.681966 0.171783 O\n0.377241 0.295832 0.442227 O\n0.218361 0.737298 0.688643 O\n0.899356 0.223925 0.064669 O\n0.855265 0.669045 0.449175 F\n0.355265 0.330955 0.050825 F\n0.440635 0.839973 0.771762 F\n0.644735 0.669045 0.949175 F\n0.144735 0.330955 0.550825 F\n0.059365 0.839973 0.271762 F\n0.940635 0.160027 0.728238 F\n0.559365 0.160027 0.228238 F\n",
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"formula_full": "Sr4 Fe4 P4 O16 F8",
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},
{
"id": "mp-1046490",
"created_at": "2022-09-04T14:46:12.866590Z",
"structure_string": "Sr2 Fe2 P4 O16\n1.0\n5.782535 0.000000 0.000000\n-1.201013 7.132139 0.000000\n-1.866914 -3.423995 8.233065\nSr Fe P O\n2 2 4 16\ndirect\n0.257587 0.793946 0.055400 Sr\n0.742413 0.206054 0.944600 Sr\n0.685963 0.830079 0.545865 Fe\n0.314037 0.169921 0.454135 Fe\n0.399154 0.419110 0.231833 P\n0.600846 0.580890 0.768167 P\n0.843943 0.028961 0.301925 P\n0.156057 0.971039 0.698075 P\n0.824488 0.568087 0.888697 O\n0.615976 0.450432 0.162090 O\n0.643835 0.785905 0.744408 O\n0.949510 0.090053 0.701853 O\n0.384024 0.549568 0.837910 O\n0.999039 0.755843 0.572426 O\n0.000961 0.244157 0.427574 O\n0.279879 0.986956 0.868258 O\n0.356165 0.214095 0.255592 O\n0.720121 0.013044 0.131742 O\n0.175512 0.431913 0.111303 O\n0.434854 0.594352 0.397077 O\n0.565146 0.405648 0.602923 O\n0.638035 0.947207 0.371052 O\n0.050490 0.909947 0.298147 O\n0.361965 0.052793 0.628948 O\n",
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"formula_full": "Sr2 Fe2 P4 O16",
"formula_reduced": "SrFe(PO4)2",
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"energy": -182.27250074,
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"updated_at": "2021-11-28T01:37:30.405000Z",
"spacegroup": 2
},
{
"id": "mp-1218900",
"created_at": "2022-09-04T14:42:15.601906Z",
"structure_string": "Sr1 Fe2 S4\n1.0\n-3.769618 3.769618 2.652919\n3.769618 -3.769618 2.652919\n3.769618 3.769618 -2.652919\nSr Fe S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.591384 0.408616 0.500000 S\n0.091384 0.591384 0.182768 S\n0.408616 0.908616 0.817232 S\n0.908616 0.091384 0.500000 S\n",
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"elements": [
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"volume": 150.7921267707489,
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"formula_full": "Sr1 Fe2 S4",
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"energy": -42.77823081,
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"updated_at": "2021-11-28T01:35:44.656000Z",
"spacegroup": 97
},
{
"id": "mp-530391",
"created_at": "2022-09-04T14:44:06.296007Z",
"structure_string": "Sr8 Fe16 S32\n1.0\n5.229627 0.000000 0.000000\n0.000000 10.683226 0.000000\n0.000000 0.000000 21.363129\nSr Fe S\n8 16 32\ndirect\n0.000000 0.500000 0.249734 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.750266 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 0.250266 Sr\n0.000000 0.000000 0.749734 Sr\n0.000000 0.500000 0.000000 Sr\n0.000040 0.249500 0.374619 Fe\n0.000040 0.750500 0.625381 Fe\n0.499869 0.750616 0.124821 Fe\n0.499869 0.250616 0.375179 Fe\n0.500131 0.249384 0.124821 Fe\n0.499869 0.749384 0.624821 Fe\n0.500131 0.749384 0.375179 Fe\n0.500131 0.250616 0.624821 Fe\n0.499869 0.249384 0.875179 Fe\n0.500131 0.750616 0.875179 Fe\n0.000040 0.749500 0.125381 Fe\n0.999960 0.250500 0.125381 Fe\n0.000040 0.250500 0.874619 Fe\n0.999960 0.750500 0.374619 Fe\n0.999960 0.249500 0.625381 Fe\n0.999960 0.749500 0.874619 Fe\n0.748439 0.090884 0.375186 S\n0.748439 0.590884 0.124814 S\n0.750903 0.909205 0.125162 S\n0.751047 0.249609 0.045524 S\n0.748634 0.249994 0.204654 S\n0.750903 0.409205 0.374838 S\n0.750903 0.590795 0.625162 S\n0.748634 0.749994 0.295346 S\n0.751047 0.749609 0.454476 S\n0.748439 0.909116 0.624814 S\n0.751047 0.250391 0.545524 S\n0.750903 0.090795 0.874838 S\n0.748634 0.250006 0.704654 S\n0.748439 0.409116 0.875186 S\n0.748634 0.750006 0.795346 S\n0.751047 0.750391 0.954476 S\n0.251366 0.750006 0.204654 S\n0.248953 0.750391 0.045524 S\n0.249097 0.090795 0.125162 S\n0.251561 0.409116 0.124814 S\n0.251366 0.250006 0.295346 S\n0.248953 0.250391 0.454476 S\n0.249097 0.590795 0.374838 S\n0.251366 0.749994 0.704654 S\n0.248953 0.249609 0.954476 S\n0.251561 0.590884 0.875186 S\n0.251561 0.909116 0.375186 S\n0.248953 0.749609 0.545524 S\n0.251561 0.090884 0.624814 S\n0.251366 0.249994 0.795346 S\n0.249097 0.909205 0.874838 S\n0.249097 0.409205 0.625162 S\n",
"nsites": 56,
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"elements": [
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],
"chemical_system": "Fe-S-Sr",
"density": 3.6459038580328187,
"density_atomic": 0.04691913901352928,
"volume": 1193.5427882394054,
"volume_molar": 12.835147631893877,
"formula_full": "Sr8 Fe16 S32",
"formula_reduced": "Sr(FeS2)2",
"formula_anonymous": "AB2C4",
"energy": -341.38059057,
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"updated_at": "2021-11-28T01:36:37.704000Z",
"spacegroup": 50
},
{
"id": "mp-1188542",
"created_at": "2022-09-04T14:39:06.626096Z",
"structure_string": "Sr1 Fe4 Sb12\n1.0\n-4.610443 4.610443 4.610443\n4.610443 -4.610443 4.610443\n4.610443 4.610443 -4.610443\nSr Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.336217 0.173387 0.837170 Sb\n0.663783 0.826613 0.162830 Sb\n0.663783 0.500954 0.837170 Sb\n0.336217 0.499046 0.162830 Sb\n0.173387 0.837170 0.336217 Sb\n0.826613 0.162830 0.663783 Sb\n0.500954 0.837170 0.663783 Sb\n0.499046 0.162830 0.336217 Sb\n0.837170 0.336217 0.173387 Sb\n0.162830 0.663783 0.826613 Sb\n0.837170 0.663783 0.500954 Sb\n0.162830 0.336217 0.499046 Sb\n",
"nsites": 17,
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"elements": [
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],
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"density": 7.506789914367834,
"density_atomic": 0.043367157647721255,
"volume": 392.0017110204425,
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"formula_full": "Sr1 Fe4 Sb12",
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"formula_anonymous": "AB4C12",
"energy": -90.3431816,
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{
"id": "mp-704950",
"created_at": "2022-09-04T14:39:38.289701Z",
"structure_string": "Sr2 Fe2 Sn2 P6 O24\n1.0\n8.126314 -4.299891 0.000000\n8.126314 4.299891 0.000000\n5.851106 0.000000 7.091587\nSr Fe Sn P O\n2 2 2 6 24\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.848420 0.848420 0.848420 Fe\n0.151580 0.151580 0.151580 Fe\n0.649372 0.649372 0.649372 Sn\n0.350628 0.350628 0.350628 Sn\n0.754562 0.459364 0.039459 P\n0.540636 0.960541 0.245438 P\n0.459364 0.039459 0.754562 P\n0.960541 0.245438 0.540636 P\n0.245438 0.540636 0.960541 P\n0.039459 0.754562 0.459364 P\n0.406426 0.593445 0.767604 O\n0.767604 0.406426 0.593445 O\n0.593445 0.767604 0.406426 O\n0.292162 0.044691 0.942093 O\n0.719935 0.475693 0.882561 O\n0.117439 0.280065 0.524307 O\n0.016677 0.746888 0.641061 O\n0.232396 0.593574 0.406555 O\n0.044691 0.942093 0.292162 O\n0.746888 0.641061 0.016677 O\n0.280065 0.524307 0.117439 O\n0.406555 0.232396 0.593574 O\n0.253112 0.358939 0.983323 O\n0.593574 0.406555 0.232396 O\n0.057907 0.707838 0.955309 O\n0.983323 0.253112 0.358939 O\n0.955309 0.057907 0.707838 O\n0.475693 0.882561 0.719935 O\n0.641061 0.016677 0.746888 O\n0.358939 0.983323 0.253112 O\n0.882561 0.719935 0.475693 O\n0.707838 0.955309 0.057907 O\n0.524307 0.117439 0.280065 O\n0.942093 0.292162 0.044691 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 3.6661705739899553,
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"formula_full": "Sr2 Fe2 Sn2 P6 O24",
"formula_reduced": "SrFeSn(PO4)3",
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"energy": -275.19027352,
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"updated_at": "2021-11-28T01:34:25.778000Z",
"spacegroup": 148
},
{
"id": "mp-1520229",
"created_at": "2022-09-04T14:47:45.391430Z",
"structure_string": "Sr1 Fe1 Sn1 W1 O6\n1.0\n0.000000 -4.016596 -4.016596\n4.016596 0.000000 -4.016596\n4.016596 -4.016596 -0.000000\nSr Fe Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Fe\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.745769 0.254231 0.254231 O\n0.254231 0.745769 0.745769 O\n0.745769 0.254231 0.745769 O\n0.254231 0.745769 0.254231 O\n0.745769 0.745769 0.254231 O\n0.254231 0.254231 0.745769 O\n",
"nsites": 10,
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],
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"density": 6.944693266764308,
"density_atomic": 0.07716059182875426,
"volume": 129.59983539516415,
"volume_molar": 7.804684512225087,
"formula_full": "Sr1 Fe1 Sn1 W1 O6",
"formula_reduced": "SrFeSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.78156263,
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},
{
"id": "mp-1199262",
"created_at": "2022-09-04T14:41:27.057065Z",
"structure_string": "Sr32 Ga32\n1.0\n12.591354 0.000000 0.000000\n0.000000 12.591354 0.000000\n0.000000 0.000000 12.591354\nSr Ga\n32 32\ndirect\n0.507855 0.798345 0.939899 Sr\n0.060101 0.007855 0.701655 Sr\n0.298345 0.560101 0.492145 Sr\n0.007855 0.701655 0.060101 Sr\n0.560101 0.492145 0.298345 Sr\n0.798345 0.939899 0.507855 Sr\n0.492145 0.298345 0.560101 Sr\n0.939899 0.507855 0.798345 Sr\n0.701655 0.060101 0.007855 Sr\n0.992145 0.201655 0.439899 Sr\n0.439899 0.992145 0.201655 Sr\n0.201655 0.439899 0.992145 Sr\n0.436516 0.519576 0.791232 Sr\n0.208768 0.936516 0.980424 Sr\n0.019576 0.708768 0.563484 Sr\n0.936516 0.980424 0.208768 Sr\n0.708768 0.563484 0.019576 Sr\n0.519576 0.791232 0.436516 Sr\n0.563484 0.019576 0.708768 Sr\n0.791232 0.436516 0.519576 Sr\n0.980424 0.208768 0.936516 Sr\n0.063484 0.480424 0.291232 Sr\n0.291232 0.063484 0.480424 Sr\n0.480424 0.291232 0.063484 Sr\n0.313472 0.813472 0.686528 Sr\n0.813472 0.686528 0.313472 Sr\n0.686528 0.313472 0.813472 Sr\n0.186528 0.186528 0.186528 Sr\n0.694215 0.194215 0.305785 Sr\n0.194215 0.305785 0.694215 Sr\n0.305785 0.694215 0.194215 Sr\n0.805785 0.805785 0.805785 Sr\n0.073643 0.753244 0.309890 Ga\n0.690110 0.573643 0.746756 Ga\n0.253244 0.190110 0.926357 Ga\n0.573643 0.746756 0.690110 Ga\n0.190110 0.926357 0.253244 Ga\n0.753244 0.309890 0.073643 Ga\n0.926357 0.253244 0.190110 Ga\n0.309890 0.073643 0.753244 Ga\n0.746756 0.690110 0.573643 Ga\n0.426357 0.246756 0.809890 Ga\n0.809890 0.426357 0.246756 Ga\n0.246756 0.809890 0.426357 Ga\n0.081121 0.763359 0.818172 Ga\n0.181828 0.581121 0.736641 Ga\n0.263359 0.681828 0.918879 Ga\n0.581121 0.736641 0.181828 Ga\n0.681828 0.918879 0.263359 Ga\n0.763359 0.818172 0.081121 Ga\n0.918879 0.263359 0.681828 Ga\n0.818172 0.081121 0.763359 Ga\n0.736641 0.181828 0.581121 Ga\n0.418879 0.236641 0.318172 Ga\n0.318172 0.418879 0.236641 Ga\n0.236641 0.318172 0.418879 Ga\n0.934063 0.434063 0.065937 Ga\n0.434063 0.065937 0.934063 Ga\n0.065937 0.934063 0.434063 Ga\n0.565937 0.565937 0.565937 Ga\n0.552589 0.052589 0.447411 Ga\n0.052589 0.447411 0.552589 Ga\n0.447411 0.552589 0.052589 Ga\n0.947411 0.947411 0.947411 Ga\n",
"nsites": 64,
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"elements": [
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],
"chemical_system": "Ga-Sr",
"density": 4.188217238169371,
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"volume": 1996.260908149028,
"volume_molar": 18.78400653524825,
"formula_full": "Sr32 Ga32",
"formula_reduced": "SrGa",
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"energy": -175.91717167,
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"updated_at": "2021-11-28T01:35:22.716000Z",
"spacegroup": 198
},
{
"id": "mp-863423",
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"structure_string": "Sr2 Ga24 O38\n1.0\n2.937904 -5.088598 0.000000\n2.937904 5.088598 0.000000\n0.000000 0.000000 23.132975\nSr Ga O\n2 24 38\ndirect\n0.333333 0.666667 0.749231 Sr\n0.666667 0.333333 0.249231 Sr\n0.168998 0.831002 0.890999 Ga\n0.167688 0.832312 0.609756 Ga\n0.333333 0.666667 0.027439 Ga\n0.333333 0.666667 0.189439 Ga\n0.333333 0.666667 0.310086 Ga\n0.167688 0.335376 0.609756 Ga\n0.000000 0.000000 0.000301 Ga\n0.000000 0.000000 0.257190 Ga\n0.000000 0.000000 0.757190 Ga\n0.333333 0.666667 0.472959 Ga\n0.000000 0.000000 0.500301 Ga\n0.168998 0.337996 0.890999 Ga\n0.664624 0.832312 0.609756 Ga\n0.662004 0.831002 0.890999 Ga\n0.335376 0.167688 0.109756 Ga\n0.337996 0.168998 0.390999 Ga\n0.831002 0.662004 0.390999 Ga\n0.832312 0.664624 0.109756 Ga\n0.666667 0.333333 0.689439 Ga\n0.666667 0.333333 0.810086 Ga\n0.666667 0.333333 0.972959 Ga\n0.666667 0.333333 0.527439 Ga\n0.832312 0.167688 0.109756 Ga\n0.831002 0.168998 0.390999 Ga\n0.155750 0.844250 0.052198 O\n0.155164 0.844836 0.447195 O\n0.010001 0.505001 0.849871 O\n0.009492 0.504746 0.650341 O\n0.181944 0.818056 0.250559 O\n0.333333 0.666667 0.944888 O\n0.000000 0.000000 0.148807 O\n0.155750 0.311500 0.052198 O\n0.181944 0.363887 0.250559 O\n0.000000 0.000000 0.648807 O\n0.333333 0.666667 0.555180 O\n0.155164 0.310328 0.447195 O\n0.495254 0.990508 0.650341 O\n0.000000 0.000000 0.349679 O\n0.494999 0.989999 0.849871 O\n0.000000 0.000000 0.849679 O\n0.636113 0.818056 0.250559 O\n0.311500 0.155750 0.552198 O\n0.310328 0.155164 0.947195 O\n0.495254 0.504746 0.650341 O\n0.494999 0.505001 0.849871 O\n0.504746 0.495254 0.150341 O\n0.505001 0.494999 0.349871 O\n0.688500 0.844250 0.052198 O\n0.689672 0.844836 0.447195 O\n0.363887 0.181944 0.750559 O\n0.504746 0.009492 0.150341 O\n0.505001 0.010001 0.349871 O\n0.666667 0.333333 0.055180 O\n0.666667 0.333333 0.444888 O\n0.844836 0.689672 0.947195 O\n0.844250 0.688500 0.552198 O\n0.818056 0.636113 0.750559 O\n0.818056 0.181944 0.750559 O\n0.990508 0.495254 0.150341 O\n0.989999 0.494999 0.349871 O\n0.844836 0.155164 0.947195 O\n0.844250 0.155750 0.552198 O\n",
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"elements": [
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],
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},
{
"id": "mp-182",
"created_at": "2022-09-04T14:41:57.162227Z",
"structure_string": "Sr1 Ga2\n1.0\n2.178442 -3.773172 0.000000\n2.178442 3.773172 0.000000\n0.000000 0.000000 4.824023\nSr Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
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"volume": 79.30342968548804,
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"formula_full": "Sr1 Ga2",
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"updated_at": "2021-11-28T01:35:27.854000Z",
"spacegroup": 191
},
{
"id": "mp-556046",
"created_at": "2022-09-04T14:39:59.786829Z",
"structure_string": "Sr2 Ga4 B4 O14\n1.0\n4.219374 -5.925442 0.000000\n4.219374 5.925442 0.000000\n0.000000 0.000000 5.800794\nSr Ga B O\n2 4 4 14\ndirect\n0.183424 0.183424 0.750000 Sr\n0.816576 0.816576 0.250000 Sr\n0.874972 0.292898 0.250000 Ga\n0.707102 0.125028 0.750000 Ga\n0.292898 0.874972 0.250000 Ga\n0.125028 0.707102 0.750000 Ga\n0.704867 0.486871 0.750000 B\n0.486871 0.704867 0.750000 B\n0.513129 0.295133 0.250000 B\n0.295133 0.513129 0.250000 B\n0.661123 0.661123 0.750000 O\n0.870599 0.129401 0.000000 O\n0.695341 0.434621 0.250000 O\n0.338877 0.338877 0.250000 O\n0.129401 0.870599 0.000000 O\n0.497599 0.894995 0.750000 O\n0.894995 0.497599 0.750000 O\n0.105005 0.502401 0.250000 O\n0.304659 0.565379 0.750000 O\n0.434621 0.695341 0.250000 O\n0.502401 0.105005 0.250000 O\n0.870599 0.129401 0.500000 O\n0.129401 0.870599 0.500000 O\n0.565379 0.304659 0.750000 O\n",
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"formula_full": "Sr2 Ga4 B4 O14",
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},
{
"id": "mp-540621",
"created_at": "2022-09-04T14:40:30.005834Z",
"structure_string": "Sr4 Ga8 Ge8 O32\n1.0\n9.792405 0.000000 0.000000\n0.000000 8.698325 0.000000\n0.000000 0.077112 9.325166\nSr Ga Ge O\n4 8 8 32\ndirect\n0.412853 0.749510 0.885412 Sr\n0.912853 0.250490 0.614588 Sr\n0.587147 0.250490 0.114588 Sr\n0.087147 0.749510 0.385412 Sr\n0.924162 0.067350 0.235065 Ga\n0.424162 0.932650 0.264935 Ga\n0.075838 0.932650 0.764935 Ga\n0.575838 0.067350 0.735065 Ga\n0.193928 0.431109 0.053564 Ga\n0.693928 0.568891 0.446436 Ga\n0.806072 0.568891 0.946436 Ga\n0.306072 0.431109 0.553564 Ga\n0.920264 0.438128 0.241966 Ge\n0.420264 0.561872 0.258034 Ge\n0.079736 0.561872 0.758034 Ge\n0.579736 0.438128 0.741966 Ge\n0.199357 0.060007 0.056931 Ge\n0.699357 0.939993 0.443069 Ge\n0.800643 0.939993 0.943069 Ge\n0.300643 0.060007 0.556931 Ge\n0.091971 0.980662 0.193593 O\n0.591971 0.019338 0.306407 O\n0.908029 0.019338 0.806407 O\n0.408029 0.980662 0.693593 O\n0.079004 0.517336 0.191049 O\n0.579004 0.482664 0.308951 O\n0.920996 0.482664 0.808951 O\n0.420996 0.517336 0.691049 O\n0.371805 0.066265 0.116296 O\n0.871805 0.933735 0.383704 O\n0.628195 0.933735 0.883704 O\n0.128195 0.066265 0.616296 O\n0.373889 0.433678 0.118445 O\n0.873889 0.566322 0.381555 O\n0.626111 0.566322 0.881555 O\n0.126111 0.433678 0.618445 O\n0.199048 0.925433 0.914737 O\n0.699048 0.074567 0.585263 O\n0.800952 0.074567 0.085263 O\n0.300952 0.925433 0.414737 O\n0.198149 0.570134 0.900246 O\n0.698149 0.429866 0.599754 O\n0.801851 0.429866 0.099754 O\n0.301851 0.570134 0.400246 O\n0.135959 0.239128 0.001413 O\n0.635959 0.760872 0.498587 O\n0.864041 0.760872 0.998587 O\n0.364041 0.239128 0.501413 O\n0.925010 0.255465 0.329407 O\n0.425010 0.744535 0.170593 O\n0.074990 0.744535 0.670593 O\n0.574990 0.255465 0.829407 O\n",
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}
]
}