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{
"id": "mp-1175366",
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"structure_string": "Li7 Mn5 O12\n1.0\n2.985536 0.000000 0.000000\n0.000000 6.023307 0.000000\n0.000000 2.915434 12.184738\nLi Mn O\n7 5 12\ndirect\n0.000000 0.319390 0.344572 Li\n0.500000 0.162951 0.166763 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.837049 0.833237 Li\n0.000000 0.680610 0.655428 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.160379 0.659575 Mn\n0.000000 0.839621 0.340425 Mn\n0.500000 0.673805 0.166947 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.326195 0.833053 Mn\n0.000000 0.907778 0.175511 O\n0.500000 0.742167 0.009100 O\n0.000000 0.573453 0.840252 O\n0.500000 0.385127 0.673064 O\n0.000000 0.248788 0.510353 O\n0.500000 0.052435 0.334419 O\n0.000000 0.751212 0.489647 O\n0.500000 0.614873 0.326936 O\n0.000000 0.426547 0.159748 O\n0.500000 0.257833 0.990900 O\n0.000000 0.092222 0.824489 O\n0.500000 0.947565 0.665581 O\n",
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{
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"structure_string": "Ba3 La3 Ti4 Nb1 O18\n1.0\n13.889677 -2.842058 0.000000\n13.889677 2.842058 0.000000\n13.308144 0.000000 4.888119\nBa La Ti Nb O\n3 3 4 1 18\ndirect\n0.138103 0.138103 0.138103 Ba\n0.312230 0.312230 0.312230 Ba\n0.583986 0.583986 0.583986 Ba\n0.409644 0.409644 0.409644 La\n0.684851 0.684851 0.684851 La\n0.860779 0.860779 0.860779 La\n0.052336 0.052336 0.052336 Ti\n0.221870 0.221870 0.221870 Ti\n0.498028 0.498028 0.498028 Ti\n0.775312 0.775312 0.775312 Ti\n0.948917 0.948917 0.948917 Nb\n0.078212 0.078212 0.585745 O\n0.585745 0.078212 0.078212 O\n0.078212 0.585745 0.078212 O\n0.201922 0.201922 0.693942 O\n0.693942 0.201922 0.201922 O\n0.201922 0.693942 0.201922 O\n0.642232 0.137003 0.642232 O\n0.642232 0.642232 0.137003 O\n0.137003 0.642232 0.642232 O\n0.861746 0.360006 0.360006 O\n0.360006 0.360006 0.861746 O\n0.360006 0.861746 0.360006 O\n0.804181 0.308683 0.804181 O\n0.804181 0.804181 0.308683 O\n0.308683 0.804181 0.804181 O\n0.914808 0.424100 0.914808 O\n0.424100 0.914808 0.914808 O\n0.914808 0.914808 0.424100 O\n",
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"density_atomic": 0.07514518343878812,
"volume": 385.91961151605767,
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"formula_full": "Ba3 La3 Ti4 Nb1 O18",
"formula_reduced": "Ba3La3Ti4NbO18",
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"spacegroup": 160
},
{
"id": "mp-19897",
"created_at": "2022-09-04T14:42:39.363400Z",
"structure_string": "Eu2 Te1 O2\n1.0\n-2.017421 2.017421 6.812421\n2.017421 -2.017421 6.812421\n2.017421 2.017421 -6.812421\nEu Te O\n2 1 2\ndirect\n0.668413 0.668413 0.000000 Eu\n0.331587 0.331587 0.000000 Eu\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"formula_full": "Eu2 Te1 O2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:35:50.593000Z",
"spacegroup": 139
},
{
"id": "mp-1521291",
"created_at": "2022-09-04T14:42:39.366605Z",
"structure_string": "Ba1 Eu1 Y1 V1 O6\n1.0\n0.000000 -4.145904 -4.145904\n4.145904 0.000000 -4.145904\n4.145904 -4.145904 0.000000\nBa Eu Y V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Y\n-0.000000 -0.000000 -0.000000 V\n0.769265 0.230735 0.230735 O\n0.230735 0.769265 0.769265 O\n0.769265 0.230735 0.769265 O\n0.230735 0.769265 0.230735 O\n0.769265 0.769265 0.230735 O\n0.230735 0.230735 0.769265 O\n",
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"elements": [
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],
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"density": 6.118319257266249,
"density_atomic": 0.0701636671246932,
"volume": 142.52390745523945,
"volume_molar": 8.582990323606655,
"formula_full": "Ba1 Eu1 Y1 V1 O6",
"formula_reduced": "BaEuYVO6",
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"spacegroup": 216
},
{
"id": "mp-571454",
"created_at": "2022-09-04T14:42:39.384426Z",
"structure_string": "Li1 Ag1 C2\n1.0\n1.920803 -3.326928 0.000000\n1.920803 3.326928 0.000000\n0.000000 0.000000 5.355596\nLi Ag C\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.000000 Ag\n0.666667 0.333333 0.616623 C\n0.666667 0.333333 0.383377 C\n",
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"density": 3.367985913307654,
"density_atomic": 0.058438082827978965,
"volume": 68.4485151878542,
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"formula_full": "Li1 Ag1 C2",
"formula_reduced": "LiAgC2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:04.827000Z",
"spacegroup": 187
},
{
"id": "mp-1219516",
"created_at": "2022-09-04T14:42:39.386743Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.952760 0.000000 0.000000\n0.000000 11.505793 0.000000\n0.000000 0.000000 11.997996\nSb Se S\n8 6 6\ndirect\n0.500000 0.208535 0.646787 Sb\n0.500000 0.791465 0.146787 Sb\n0.000000 0.285651 0.353657 Sb\n0.000000 0.714349 0.853657 Sb\n0.000000 0.922042 0.537036 Sb\n0.000000 0.077958 0.037036 Sb\n0.500000 0.584508 0.466846 Sb\n0.500000 0.415492 0.966846 Sb\n0.500000 0.445325 0.286726 Se\n0.500000 0.554675 0.786726 Se\n0.000000 0.376644 0.554666 Se\n0.000000 0.623356 0.054666 Se\n0.500000 0.116377 0.447113 Se\n0.500000 0.883623 0.947113 Se\n0.500000 0.809171 0.624723 S\n0.500000 0.190829 0.124723 S\n0.000000 0.694695 0.378512 S\n0.000000 0.305305 0.878512 S\n0.000000 0.058380 0.703935 S\n0.000000 0.941620 0.203935 S\n",
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"elements": [
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],
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"density": 4.991466183022158,
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"volume": 545.6645188689293,
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"formula_full": "Sb8 Se6 S6",
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},
{
"id": "mp-1222537",
"created_at": "2022-09-04T14:42:39.399692Z",
"structure_string": "Li2 Zr10 Tl2 F44\n1.0\n8.163270 0.000000 0.000000\n0.000000 8.163306 0.000000\n0.000000 0.000000 11.838767\nLi Zr Tl F\n2 10 2 44\ndirect\n0.500000 0.249596 0.000000 Li\n0.000000 0.749596 0.000000 Li\n0.179827 0.569785 0.254713 Zr\n0.680398 0.429990 0.254910 Zr\n0.320173 0.069785 0.254713 Zr\n0.819602 0.929990 0.254910 Zr\n0.319602 0.429990 0.745090 Zr\n0.820173 0.569785 0.745287 Zr\n0.180398 0.929990 0.745090 Zr\n0.679827 0.069785 0.745287 Zr\n0.500000 0.749972 0.500000 Zr\n0.000000 0.249972 0.500000 Zr\n0.500000 0.735548 0.000000 Tl\n0.000000 0.235548 0.000000 Tl\n0.139361 0.610897 0.087693 F\n0.639053 0.389313 0.087575 F\n0.360639 0.110897 0.087693 F\n0.860947 0.889313 0.087575 F\n0.360947 0.389313 0.912425 F\n0.860639 0.610897 0.912307 F\n0.139053 0.889313 0.912425 F\n0.639361 0.110897 0.912307 F\n0.299136 0.663610 0.401770 F\n0.799100 0.336335 0.401795 F\n0.200864 0.163610 0.401770 F\n0.700900 0.836335 0.401795 F\n0.200900 0.336335 0.598205 F\n0.700864 0.663610 0.598230 F\n0.299100 0.836335 0.598205 F\n0.799136 0.163610 0.598230 F\n0.413600 0.549097 0.598258 F\n0.086400 0.049097 0.598258 F\n0.913674 0.450868 0.598182 F\n0.586326 0.950868 0.598182 F\n0.086326 0.450868 0.401818 F\n0.413674 0.950868 0.401818 F\n0.586400 0.549097 0.401742 F\n0.913600 0.049097 0.401742 F\n0.286533 0.820630 0.213507 F\n0.786584 0.179332 0.213431 F\n0.213467 0.320630 0.213507 F\n0.713416 0.679332 0.213431 F\n0.213416 0.179332 0.786569 F\n0.713467 0.820630 0.786493 F\n0.286584 0.679332 0.786569 F\n0.786533 0.320630 0.786493 F\n0.570563 0.536540 0.786585 F\n0.929437 0.036540 0.786585 F\n0.070724 0.463442 0.786466 F\n0.429276 0.963442 0.786466 F\n0.929276 0.463442 0.213534 F\n0.570724 0.963442 0.213534 F\n0.429437 0.536540 0.213415 F\n0.070563 0.036540 0.213415 F\n0.500090 0.250050 0.299936 F\n0.999910 0.750050 0.299936 F\n0.000090 0.750050 0.700064 F\n0.499910 0.250050 0.700064 F\n",
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"formula_full": "Li2 Zr10 Tl2 F44",
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"spacegroup": 30
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{
"id": "mp-1223638",
"created_at": "2022-09-04T14:42:39.402597Z",
"structure_string": "In1 Ga1 Sb2\n1.0\n4.563802 0.000000 0.000000\n0.000000 4.563802 0.000000\n0.000000 0.000000 6.395951\nIn Ga Sb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.233283 Sb\n0.500000 0.000000 0.766717 Sb\n",
"nsites": 4,
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"density": 5.33575699725435,
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"volume": 133.21671390837872,
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"formula_full": "In1 Ga1 Sb2",
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{
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"created_at": "2022-09-04T14:42:39.407103Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n6.971085 0.000000 0.000000\n0.000000 6.238915 0.000000\n0.000000 2.247264 7.863469\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.736228 0.336918 0.437677 H\n0.236228 0.663082 0.062323 H\n0.263772 0.663082 0.562323 H\n0.763772 0.336918 0.937677 H\n0.839549 0.131968 0.370070 H\n0.339549 0.868032 0.129930 H\n0.160451 0.868032 0.629930 H\n0.660451 0.131968 0.870070 H\n0.838808 0.117966 0.579732 H\n0.338808 0.882034 0.920268 H\n0.161192 0.882034 0.420268 H\n0.661192 0.117966 0.079732 H\n0.611071 0.818785 0.280873 H\n0.111071 0.181215 0.219127 H\n0.888929 0.818785 0.780873 H\n0.388929 0.181215 0.719127 H\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.759571 0.168309 0.467177 N\n0.259571 0.831691 0.032823 N\n0.240429 0.831691 0.532823 N\n0.740429 0.168309 0.967177 N\n0.661005 0.664116 0.618558 Cl\n0.161005 0.335884 0.881442 Cl\n0.338995 0.335884 0.381442 Cl\n0.838995 0.664116 0.118558 Cl\n0.525039 0.947644 0.264791 O\n0.025039 0.052356 0.235209 O\n0.474961 0.052356 0.735209 O\n0.974961 0.947644 0.764791 O\n",
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{
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