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{
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"results": [
{
"id": "mp-631481",
"created_at": "2022-09-04T14:45:29.071358Z",
"structure_string": "Na1 Sr1 Nb2\n1.0\n0.000000 3.654963 3.654963\n3.654963 0.000000 3.654963\n3.654963 3.654963 0.000000\nNa Sr Nb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.250000 Nb\n",
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"volume": 97.65150707647207,
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"formula_full": "Na1 Sr1 Nb2",
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{
"id": "mp-1103210",
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"structure_string": "Eu4 Mg4 Ni4\n1.0\n6.803490 0.000000 0.000000\n0.000000 6.803490 0.000000\n0.000000 0.000000 6.803490\nEu Mg Ni\n4 4 4\ndirect\n0.179408 0.679408 0.820592 Eu\n0.679408 0.820592 0.179408 Eu\n0.820592 0.179408 0.679408 Eu\n0.320592 0.320592 0.320592 Eu\n0.845731 0.345731 0.154269 Mg\n0.345731 0.154269 0.845731 Mg\n0.154269 0.845731 0.345731 Mg\n0.654269 0.654269 0.654269 Mg\n0.454649 0.954649 0.545351 Ni\n0.954649 0.545351 0.454649 Ni\n0.545351 0.454649 0.954649 Ni\n0.045351 0.045351 0.045351 Ni\n",
"nsites": 12,
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"volume": 314.91638131654855,
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"formula_full": "Eu4 Mg4 Ni4",
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"spacegroup": 198
},
{
"id": "mp-765222",
"created_at": "2022-09-04T14:45:29.153935Z",
"structure_string": "Li2 Sn6 P12 O40\n1.0\n5.304746 -6.981012 0.000000\n5.304746 6.981012 0.000000\n0.000000 0.000000 12.517924\nLi Sn P O\n2 6 12 40\ndirect\n0.582741 0.582741 0.500000 Li\n0.417259 0.417259 0.000000 Li\n0.126381 0.126381 0.000000 Sn\n0.702896 0.297104 0.250000 Sn\n0.776355 0.223645 0.750000 Sn\n0.297104 0.702896 0.750000 Sn\n0.223645 0.776355 0.250000 Sn\n0.873619 0.873619 0.500000 Sn\n0.092678 0.377977 0.317991 P\n0.377977 0.092678 0.682009 P\n0.219343 0.317174 0.777450 P\n0.317174 0.219343 0.222550 P\n0.714578 0.145131 0.016404 P\n0.145131 0.714578 0.983596 P\n0.854869 0.285422 0.483596 P\n0.285422 0.854869 0.516404 P\n0.682826 0.780657 0.722550 P\n0.780657 0.682826 0.277450 P\n0.907322 0.622023 0.817991 P\n0.622023 0.907322 0.182009 P\n0.243007 0.183352 0.691314 O\n0.183352 0.243007 0.308686 O\n0.364198 0.035902 0.560708 O\n0.035902 0.364198 0.439292 O\n0.316252 0.326349 0.126528 O\n0.326349 0.316252 0.873472 O\n0.049461 0.665868 0.742884 O\n0.665868 0.049461 0.257116 O\n0.469255 0.265820 0.290337 O\n0.265820 0.469255 0.709663 O\n0.955310 0.736923 0.309622 O\n0.736923 0.955310 0.690378 O\n0.211110 0.536925 0.304780 O\n0.536925 0.211110 0.695220 O\n0.143451 0.651258 0.096377 O\n0.651258 0.143451 0.903623 O\n0.108446 0.823850 0.529914 O\n0.823850 0.108446 0.470086 O\n0.255099 0.646237 0.910547 O\n0.646237 0.255099 0.089453 O\n0.744901 0.353763 0.410547 O\n0.353763 0.744901 0.589453 O\n0.891554 0.176150 0.029914 O\n0.176150 0.891554 0.970086 O\n0.856549 0.348742 0.596377 O\n0.348742 0.856549 0.403623 O\n0.788890 0.463075 0.804780 O\n0.463075 0.788890 0.195220 O\n0.044690 0.263077 0.809622 O\n0.263077 0.044690 0.190378 O\n0.530745 0.734180 0.790337 O\n0.734180 0.530745 0.209663 O\n0.950539 0.334132 0.242884 O\n0.334132 0.950539 0.757116 O\n0.683748 0.673651 0.626528 O\n0.673651 0.683748 0.373472 O\n0.964098 0.635802 0.939292 O\n0.635802 0.964098 0.060708 O\n0.816648 0.756993 0.808686 O\n0.756993 0.816648 0.191314 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
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"Sn",
"P",
"O"
],
"chemical_system": "Li-O-P-Sn",
"density": 3.112464390337259,
"density_atomic": 0.06471515052884257,
"volume": 927.1399279718728,
"volume_molar": 9.305611917438133,
"formula_full": "Li2 Sn6 P12 O40",
"formula_reduced": "LiSn3(P3O10)2",
"formula_anonymous": "AB3C6D20",
"energy": -436.90888608,
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"updated_at": "2021-11-28T01:37:01.647000Z",
"spacegroup": 20
},
{
"id": "mp-1002136",
"created_at": "2022-09-04T14:45:30.423081Z",
"structure_string": "La2 Au2\n1.0\n1.996426 -5.806238 0.000000\n1.996426 5.806238 0.000000\n0.000000 0.000000 4.864815\nLa Au\n2 2\ndirect\n0.864075 0.135925 0.750000 La\n0.135925 0.864075 0.250000 La\n0.586014 0.413986 0.750000 Au\n0.413986 0.586014 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-La",
"density": 9.890279565043379,
"density_atomic": 0.03546627810660101,
"volume": 112.78319049935824,
"volume_molar": 16.97990621372575,
"formula_full": "La2 Au2",
"formula_reduced": "LaAu",
"formula_anonymous": "AB",
"energy": -19.7036285,
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"updated_at": "2021-11-28T01:36:58.510000Z",
"spacegroup": 63
},
{
"id": "mp-1173632",
"created_at": "2022-09-04T14:45:29.043934Z",
"structure_string": "Sr16 Fe16 O43\n1.0\n4.843538 0.013232 2.789555\n1.636715 4.567419 2.772696\n0.182027 -0.036086 44.320751\nSr Fe O\n16 16 43\ndirect\n0.250116 0.250532 0.031237 Sr\n0.249251 0.251326 0.154225 Sr\n0.734822 0.748629 0.095694 Sr\n0.250749 0.248674 0.283275 Sr\n0.750000 0.750000 0.218750 Sr\n0.249884 0.249468 0.406263 Sr\n0.765178 0.751371 0.341806 Sr\n0.248933 0.249440 0.529513 Sr\n0.734593 0.747869 0.470773 Sr\n0.241680 0.240356 0.660306 Sr\n0.749831 0.746549 0.594316 Sr\n0.258320 0.259644 0.777194 Sr\n0.750000 0.750000 0.718750 Sr\n0.251067 0.250560 0.907987 Sr\n0.750169 0.753451 0.843184 Sr\n0.765407 0.752131 0.966727 Sr\n0.978020 0.019075 0.997522 Fe\n0.999643 0.000825 0.124896 Fe\n0.522075 0.481913 0.064927 Fe\n0.975407 0.980902 0.252561 Fe\n0.524593 0.519098 0.184939 Fe\n0.977925 0.018087 0.372573 Fe\n0.500357 0.499175 0.312604 Fe\n0.000554 0.000107 0.499962 Fe\n0.521980 0.480925 0.439978 Fe\n0.980016 0.980141 0.627454 Fe\n0.524273 0.518300 0.560244 Fe\n0.997565 0.999766 0.750301 Fe\n0.502435 0.500234 0.687199 Fe\n0.975727 0.981700 0.877256 Fe\n0.519984 0.519859 0.810046 Fe\n0.499446 0.499893 0.937538 Fe\n0.236301 0.268767 0.093009 O\n0.228820 0.781121 0.086979 O\n0.749630 0.251811 0.031048 O\n0.750861 0.750063 0.031440 O\n0.249779 0.732026 0.156885 O\n0.735774 0.262244 0.096908 O\n0.250000 0.750000 0.218750 O\n0.705453 0.219084 0.162989 O\n0.774951 0.735853 0.153194 O\n0.250221 0.767974 0.280615 O\n0.750000 0.250000 0.218750 O\n0.263699 0.231233 0.344491 O\n0.271180 0.718879 0.350521 O\n0.794547 0.280916 0.274511 O\n0.725049 0.764147 0.284306 O\n0.764226 0.237756 0.340592 O\n0.236273 0.267462 0.468173 O\n0.750370 0.248189 0.406452 O\n0.228639 0.781403 0.461831 O\n0.252876 0.729208 0.531341 O\n0.749139 0.749937 0.406060 O\n0.736554 0.263851 0.471968 O\n0.707271 0.216616 0.538621 O\n0.246692 0.754235 0.592402 O\n0.753590 0.256265 0.594017 O\n0.774630 0.736741 0.527961 O\n0.269893 0.780066 0.651397 O\n0.250000 0.250000 0.718750 O\n0.784578 0.267560 0.652194 O\n0.250000 0.750000 0.718750 O\n0.750000 0.250000 0.718750 O\n0.745660 0.747784 0.658728 O\n0.230107 0.719934 0.786103 O\n0.715422 0.232440 0.785306 O\n0.253308 0.745765 0.845098 O\n0.754340 0.752216 0.778772 O\n0.263727 0.232538 0.969327 O\n0.746410 0.243735 0.843483 O\n0.247124 0.770792 0.906159 O\n0.271361 0.718597 0.975669 O\n0.792729 0.283384 0.898879 O\n0.763446 0.236149 0.965532 O\n0.725370 0.763259 0.909539 O\n",
"nsites": 75,
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"elements": [
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"O"
],
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"density": 5.067943175379804,
"density_atomic": 0.07672384338143248,
"volume": 977.5318427041983,
"volume_molar": 7.849112472195816,
"formula_full": "Sr16 Fe16 O43",
"formula_reduced": "Sr16Fe16O43",
"formula_anonymous": "A16B16C43",
"energy": -546.25060911,
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"updated_at": "2021-11-28T01:36:59.274000Z",
"spacegroup": 2
},
{
"id": "mp-1325410",
"created_at": "2022-09-04T14:45:29.050435Z",
"structure_string": "Li12 Mn16 O32\n1.0\n5.765707 0.000000 0.000000\n-0.003732 9.955230 0.000000\n-0.003222 -0.296060 11.437528\nLi Mn O\n12 16 32\ndirect\n0.748610 0.655276 0.540734 Li\n0.499845 0.530926 0.317952 Li\n0.984863 0.534709 0.315030 Li\n0.740934 0.127681 0.092860 Li\n0.246307 0.066662 0.796041 Li\n0.744344 0.053264 0.813582 Li\n0.251390 0.344724 0.459266 Li\n0.015137 0.465291 0.684970 Li\n0.500155 0.469074 0.682048 Li\n0.238112 0.946761 0.186467 Li\n0.736019 0.933035 0.203955 Li\n0.259066 0.872319 0.907140 Li\n0.489368 0.804846 0.377538 Mn\n0.992039 0.806365 0.372249 Mn\n0.494643 0.658632 0.838754 Mn\n0.990760 0.655618 0.841239 Mn\n0.009240 0.344382 0.158761 Mn\n0.505357 0.341368 0.161246 Mn\n0.007961 0.193635 0.627751 Mn\n0.510632 0.195154 0.622462 Mn\n0.244232 0.325295 0.875674 Mn\n0.741393 0.326398 0.864221 Mn\n0.235728 0.140706 0.334988 Mn\n0.738646 0.157990 0.342844 Mn\n0.261354 0.842010 0.657156 Mn\n0.764272 0.859294 0.665012 Mn\n0.258607 0.673602 0.135779 Mn\n0.755768 0.674705 0.124326 Mn\n0.243736 0.066626 0.632682 O\n0.743100 0.066617 0.640694 O\n0.242229 0.303167 0.054389 O\n0.738274 0.303749 0.050111 O\n0.261726 0.696251 0.949889 O\n0.757771 0.696833 0.945611 O\n0.256900 0.933383 0.359306 O\n0.756264 0.933374 0.367318 O\n0.989021 0.550677 0.139362 O\n0.490343 0.539172 0.144321 O\n0.989111 0.801453 0.547866 O\n0.506248 0.803366 0.559642 O\n0.493752 0.196634 0.440358 O\n0.010889 0.198547 0.452134 O\n0.509657 0.460828 0.855679 O\n0.010979 0.449323 0.860638 O\n0.492958 0.191617 0.846337 O\n0.995438 0.194534 0.819336 O\n0.976609 0.114340 0.220318 O\n0.497449 0.132843 0.212440 O\n0.004562 0.805466 0.180664 O\n0.507042 0.808383 0.153663 O\n0.502551 0.867157 0.787560 O\n0.023391 0.885660 0.779682 O\n0.240755 0.670522 0.355856 O\n0.742625 0.666602 0.370574 O\n0.242201 0.632786 0.725348 O\n0.742859 0.633343 0.718677 O\n0.257375 0.333398 0.629426 O\n0.759245 0.329478 0.644144 O\n0.257141 0.366657 0.281323 O\n0.757799 0.367214 0.274652 O\n",
"nsites": 60,
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],
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"density": 3.729009433192285,
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"volume": 656.5019753867148,
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"formula_full": "Li12 Mn16 O32",
"formula_reduced": "Li3Mn4O8",
"formula_anonymous": "A3B4C8",
"energy": -447.16084659,
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"updated_at": "2021-11-28T01:36:59.356000Z",
"spacegroup": 1
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{
"id": "mp-1086664",
"created_at": "2022-09-04T14:45:29.050807Z",
"structure_string": "Rb1 Cd4 As3\n1.0\n12.542624 -2.288963 0.000000\n12.542624 2.288963 0.000000\n12.124900 0.000000 3.942532\nRb Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.913796 0.913796 0.913796 Cd\n0.086204 0.086204 0.086204 Cd\n0.697309 0.697309 0.697309 Cd\n0.302691 0.302691 0.302691 Cd\n0.769034 0.769034 0.769034 As\n0.230966 0.230966 0.230966 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 8,
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],
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"formula_full": "Rb1 Cd4 As3",
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"formula_anonymous": "AB3C4",
"energy": -20.35589408,
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{
"id": "mp-1068559",
"created_at": "2022-09-04T14:45:29.054083Z",
"structure_string": "La1 Co1 Si3\n1.0\n-2.086431 2.086431 4.852466\n2.086431 -2.086431 4.852466\n2.086431 2.086431 -4.852466\nLa Co Si\n1 1 3\ndirect\n0.004000 0.004000 0.000000 La\n0.662370 0.662370 0.000000 Co\n0.426319 0.426319 0.000000 Si\n0.261155 0.761155 0.500000 Si\n0.761155 0.261155 0.500000 Si\n",
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{
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"formula_full": "Li9 Mn2 Co5 O16",
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},
{
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},
{
"id": "mp-1211007",
"created_at": "2022-09-04T14:45:29.063151Z",
"structure_string": "Li4 Tb4 F8\n1.0\n-3.234664 3.234664 6.460469\n3.234664 -3.234664 6.460469\n3.234664 3.234664 -6.460469\nLi Tb F\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Li\n0.875000 0.125000 0.750000 Li\n0.875000 0.125000 0.250000 Li\n0.875000 0.625000 0.750000 Li\n0.875000 0.625000 0.250000 Tb\n0.375000 0.625000 0.750000 Tb\n0.375000 0.625000 0.250000 Tb\n0.375000 0.125000 0.750000 Tb\n0.191503 0.455156 0.263653 F\n0.191503 0.927850 0.736347 F\n0.205156 0.441503 0.763653 F\n0.558497 0.794844 0.236347 F\n0.677850 0.441503 0.236347 F\n0.558497 0.322150 0.763653 F\n0.544844 0.808497 0.736347 F\n0.072150 0.808497 0.263653 F\n",
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"volume": 270.3848715084705,
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"formula_full": "Li4 Tb4 F8",
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{
"id": "mp-1094970",
"created_at": "2022-09-04T14:45:33.620641Z",
"structure_string": "Mg6 Al2\n1.0\n3.076477 -5.328614 0.000000\n3.076477 5.328614 0.000000\n0.000000 0.000000 5.096382\nMg Al\n6 2\ndirect\n0.662538 0.831269 0.750000 Mg\n0.168731 0.337462 0.750000 Mg\n0.168731 0.831269 0.750000 Mg\n0.831269 0.662538 0.250000 Mg\n0.831269 0.168731 0.250000 Mg\n0.337462 0.168731 0.250000 Mg\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n",
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]
}