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{
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{
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"structure_string": "Mg14 Nb1 Sn1\n1.0\n6.329232 0.056570 0.000000\n-3.115625 5.396420 0.000000\n0.000000 0.000000 10.261659\nMg Nb Sn\n14 1 1\ndirect\n0.166635 0.333317 0.625000 Mg\n0.166138 0.833069 0.625000 Mg\n0.667423 0.335129 0.125000 Mg\n0.665859 0.333215 0.625000 Mg\n0.667423 0.832293 0.125000 Mg\n0.665859 0.832644 0.625000 Mg\n0.331193 0.159751 0.372424 Mg\n0.331193 0.159751 0.877576 Mg\n0.331193 0.671444 0.372424 Mg\n0.331193 0.671444 0.877576 Mg\n0.832012 0.166006 0.378015 Mg\n0.832012 0.166006 0.871985 Mg\n0.841145 0.670573 0.371816 Mg\n0.841145 0.670573 0.878184 Mg\n0.165420 0.832709 0.125000 Nb\n0.164156 0.332077 0.125000 Sn\n",
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{
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"structure_string": "V8 F40\n1.0\n5.525908 0.000000 0.000000\n0.000000 7.748546 0.000000\n0.000000 0.000000 17.404118\nV F\n8 40\ndirect\n0.750000 0.453469 0.859192 V\n0.250000 0.546531 0.140808 V\n0.750000 0.953469 0.640808 V\n0.250000 0.046531 0.359192 V\n0.250000 0.108984 0.881087 V\n0.750000 0.891016 0.118913 V\n0.250000 0.608984 0.618913 V\n0.750000 0.391016 0.381087 V\n0.017438 0.398358 0.126483 F\n0.517438 0.601642 0.873517 F\n0.482562 0.898358 0.373517 F\n0.982562 0.101642 0.626483 F\n0.982562 0.601642 0.873517 F\n0.482562 0.398358 0.126483 F\n0.517438 0.101642 0.626483 F\n0.017438 0.898358 0.373517 F\n0.750000 0.251324 0.461479 F\n0.250000 0.748676 0.538521 F\n0.750000 0.751324 0.038521 F\n0.250000 0.248676 0.961479 F\n0.750000 0.468310 0.285772 F\n0.250000 0.531690 0.714228 F\n0.750000 0.968310 0.214228 F\n0.250000 0.031690 0.785772 F\n0.982575 0.524041 0.413866 F\n0.482575 0.475959 0.586134 F\n0.517425 0.024041 0.086134 F\n0.017425 0.975959 0.913866 F\n0.017425 0.475959 0.586134 F\n0.517425 0.524041 0.413866 F\n0.482575 0.975959 0.913866 F\n0.982575 0.024041 0.086134 F\n0.999658 0.228911 0.340181 F\n0.499658 0.771089 0.659819 F\n0.500342 0.728911 0.159819 F\n0.000342 0.271089 0.840181 F\n0.000342 0.771089 0.659819 F\n0.500342 0.228911 0.340181 F\n0.499658 0.271089 0.840181 F\n0.999658 0.728911 0.159819 F\n0.250000 0.130370 0.453624 F\n0.750000 0.869630 0.546376 F\n0.250000 0.630370 0.046376 F\n0.750000 0.369630 0.953624 F\n0.250000 0.035861 0.257920 F\n0.750000 0.964139 0.742080 F\n0.250000 0.535861 0.242080 F\n0.750000 0.464139 0.757920 F\n",
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{
"id": "mp-1247744",
"created_at": "2022-09-04T14:42:16.903413Z",
"structure_string": "Ba12 Na12\n1.0\n-8.499372 -8.499372 0.000000\n-8.499372 0.000000 -8.499372\n0.000000 -8.499372 -8.499372\nBa Na\n12 12\ndirect\n0.194122 0.805878 0.805878 Ba\n0.944122 0.944122 0.555878 Ba\n0.805878 0.194122 0.194122 Ba\n0.555878 0.555878 0.944122 Ba\n0.805878 0.194122 0.805878 Ba\n0.555878 0.944122 0.944122 Ba\n0.194122 0.805878 0.194122 Ba\n0.944122 0.555878 0.555878 Ba\n0.805878 0.805878 0.194122 Ba\n0.944122 0.555878 0.944122 Ba\n0.194122 0.194122 0.805878 Ba\n0.555878 0.944122 0.555878 Ba\n0.578671 0.263988 0.578671 Na\n0.486012 0.171329 0.171329 Na\n0.578671 0.578671 0.578671 Na\n0.171329 0.171329 0.486012 Na\n0.263988 0.578671 0.578671 Na\n0.171329 0.486012 0.171329 Na\n0.578671 0.578671 0.263988 Na\n0.171329 0.171329 0.171329 Na\n0.375000 0.375000 0.375000 Na\n0.375000 0.375000 0.875000 Na\n0.375000 0.875000 0.375000 Na\n0.875000 0.375000 0.375000 Na\n",
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{
"id": "mp-552623",
"created_at": "2022-09-04T14:47:56.636440Z",
"structure_string": "Na4 C1 O4\n1.0\n3.384557 -3.334355 0.000000\n3.384557 3.334355 0.000000\n0.099660 0.000000 4.750076\nNa C O\n4 1 4\ndirect\n0.152163 0.575412 0.611410 Na\n0.156812 0.156812 0.156812 Na\n0.575412 0.611410 0.152163 Na\n0.611410 0.152163 0.575412 Na\n0.879579 0.879579 0.879579 C\n0.706547 0.706547 0.706547 O\n0.062409 0.050963 0.700274 O\n0.050963 0.700274 0.062409 O\n0.700274 0.062409 0.050963 O\n",
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},
{
"id": "mp-1026520",
"created_at": "2022-09-04T14:44:00.016543Z",
"structure_string": "Mg14 Nb1 Sb1\n1.0\n6.335078 0.000000 0.000000\n-3.167539 5.486337 0.000000\n-0.000000 0.000000 10.191107\nMg Nb Sb\n14 1 1\ndirect\n0.168165 0.834082 0.125000 Mg\n0.165442 0.832720 0.625000 Mg\n0.665918 0.331835 0.125000 Mg\n0.667280 0.334558 0.625000 Mg\n0.665918 0.834082 0.125000 Mg\n0.667280 0.832720 0.625000 Mg\n0.329624 0.170376 0.368993 Mg\n0.329624 0.170376 0.881007 Mg\n0.329624 0.659248 0.368993 Mg\n0.329624 0.659248 0.881007 Mg\n0.840752 0.170376 0.368993 Mg\n0.840752 0.170376 0.881007 Mg\n0.833333 0.666667 0.372060 Mg\n0.833333 0.666667 0.877940 Mg\n0.166667 0.333333 0.125000 Nb\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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{
"id": "mp-759311",
"created_at": "2022-09-04T14:43:54.155376Z",
"structure_string": "Li4 Fe6 P10 O36\n1.0\n2.470785 12.835856 0.000000\n-2.470785 12.835856 0.000000\n0.000000 0.386654 12.563930\nLi Fe P O\n4 6 10 36\ndirect\n0.486768 0.183200 0.863881 Li\n0.183200 0.486768 0.363881 Li\n0.816800 0.513232 0.636119 Li\n0.513232 0.816800 0.136119 Li\n0.878579 0.723905 0.620636 Fe\n0.723905 0.878579 0.120636 Fe\n0.276095 0.121421 0.879364 Fe\n0.121421 0.276095 0.379364 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.932984 0.929596 0.592203 P\n0.929596 0.932984 0.092203 P\n0.847575 0.700204 0.871635 P\n0.700204 0.847575 0.371635 P\n0.299796 0.152425 0.628365 P\n0.152425 0.299796 0.128365 P\n0.070404 0.067016 0.907797 P\n0.067016 0.070404 0.407797 P\n0.269602 0.730398 0.750000 P\n0.730398 0.269602 0.250000 P\n0.397489 0.552481 0.842800 O\n0.772012 0.137244 0.005681 O\n0.552481 0.397489 0.342800 O\n0.017267 0.898243 0.705623 O\n0.137244 0.772012 0.505681 O\n0.898243 0.017267 0.205623 O\n0.639333 0.234672 0.568441 O\n0.234671 0.639333 0.068441 O\n0.957465 0.791218 0.616124 O\n0.791218 0.957465 0.116124 O\n0.761158 0.850124 0.963379 O\n0.774579 0.835955 0.772403 O\n0.850124 0.761158 0.463379 O\n0.835955 0.774579 0.272403 O\n0.238559 0.324544 0.628255 O\n0.158099 0.383960 0.876440 O\n0.324544 0.238559 0.128255 O\n0.383960 0.158099 0.376440 O\n0.616040 0.841901 0.623560 O\n0.675456 0.761441 0.871745 O\n0.841901 0.616040 0.123560 O\n0.761441 0.675456 0.371745 O\n0.164045 0.225421 0.727597 O\n0.149876 0.238842 0.536621 O\n0.225421 0.164045 0.227597 O\n0.238842 0.149876 0.036621 O\n0.208782 0.042535 0.883876 O\n0.042535 0.208782 0.383876 O\n0.765329 0.360667 0.931559 O\n0.360667 0.765329 0.431559 O\n0.101757 0.982733 0.794377 O\n0.862756 0.227988 0.494319 O\n0.982733 0.101757 0.294377 O\n0.447519 0.602511 0.657200 O\n0.227988 0.862756 0.994319 O\n0.602511 0.447519 0.157200 O\n",
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"formula_full": "Li4 Fe6 P10 O36",
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{
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"structure_string": "Sb2 P2 N2 O10 F2\n1.0\n6.523469 0.033604 0.000000\n0.023017 6.540056 0.000000\n3.273243 3.286831 7.951262\nSb P N O F\n2 2 2 10 2\ndirect\n0.797100 0.797100 0.405801 Sb\n0.202900 0.202900 0.594199 Sb\n0.750564 0.250564 0.498871 P\n0.249436 0.749436 0.501129 P\n0.284027 0.533549 0.000000 N\n0.715973 0.466451 0.000000 N\n0.874807 0.487668 0.382063 O\n0.743130 0.130269 0.382063 O\n0.487412 0.740556 0.384714 O\n0.127875 0.874730 0.384714 O\n0.125193 0.512332 0.617937 O\n0.256870 0.869731 0.617937 O\n0.512588 0.259444 0.615286 O\n0.872125 0.125270 0.615286 O\n0.656870 0.631346 0.000000 O\n0.343130 0.368654 0.000000 O\n0.916664 0.916664 0.166671 F\n0.083336 0.083336 0.833329 F\n",
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{
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"structure_string": "Ca5 B3 N6\n1.0\n-3.697740 3.697740 3.697740\n3.697740 -3.697740 3.697740\n3.697740 3.697740 -3.697740\nCa B N\n5 3 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 B\n0.500000 0.000000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.000000 0.317614 0.317614 N\n0.000000 0.682386 0.682386 N\n0.317614 0.000000 0.317614 N\n0.682386 0.000000 0.682386 N\n0.317614 0.317614 0.000000 N\n0.682386 0.682386 0.000000 N\n",
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