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{
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"results": [
{
"id": "mp-1094867",
"created_at": "2022-09-04T14:41:15.095832Z",
"structure_string": "Mg1 Zn3\n1.0\n4.036356 0.000000 0.000000\n0.000000 4.036356 0.000000\n0.000000 0.000000 4.036356\nMg Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n",
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{
"id": "mp-1073201",
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"structure_string": "Mg8 Si12\n1.0\n4.544750 0.000000 0.000000\n0.224135 6.998535 0.000000\n2.143631 0.218636 11.707902\nMg Si\n8 12\ndirect\n0.809290 0.373076 0.593398 Mg\n0.753279 0.678761 0.006981 Mg\n0.268707 0.204643 0.723847 Mg\n0.299855 0.640104 0.760059 Mg\n0.246721 0.321239 0.993019 Mg\n0.190710 0.626924 0.406602 Mg\n0.700145 0.359896 0.239941 Mg\n0.731293 0.795357 0.276153 Mg\n0.744844 0.950583 0.701909 Si\n0.788547 0.093006 0.892468 Si\n0.632479 0.735781 0.537827 Si\n0.783541 0.426279 0.831960 Si\n0.705787 0.057187 0.102365 Si\n0.799736 0.047307 0.445339 Si\n0.211453 0.906994 0.107532 Si\n0.255156 0.049417 0.298091 Si\n0.216459 0.573721 0.168040 Si\n0.367521 0.264219 0.462173 Si\n0.200264 0.952693 0.554661 Si\n0.294213 0.942813 0.897635 Si\n",
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"formula_full": "Mg8 Si12",
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},
{
"id": "mp-1190945",
"created_at": "2022-09-04T14:41:15.103910Z",
"structure_string": "La6 Mg2 Al2 S14\n1.0\n5.163519 -8.943477 0.000000\n5.163519 8.943477 0.000000\n0.000000 0.000000 6.008042\nLa Mg Al S\n6 2 2 14\ndirect\n0.755672 0.128900 0.240002 La\n0.373228 0.244328 0.240002 La\n0.871100 0.626772 0.240002 La\n0.244328 0.871100 0.740002 La\n0.626772 0.755672 0.740002 La\n0.128900 0.373228 0.740002 La\n0.000000 0.000000 0.999131 Mg\n0.000000 0.000000 0.499131 Mg\n0.666667 0.333333 0.657877 Al\n0.333333 0.666667 0.157877 Al\n0.846053 0.079887 0.750355 S\n0.233834 0.153947 0.750355 S\n0.920113 0.766166 0.750355 S\n0.153947 0.920113 0.250355 S\n0.766166 0.846053 0.250355 S\n0.079887 0.233834 0.250355 S\n0.894591 0.409774 0.508668 S\n0.515183 0.105409 0.508668 S\n0.590226 0.484817 0.508668 S\n0.105409 0.590226 0.008668 S\n0.484817 0.894591 0.008668 S\n0.409774 0.515183 0.008668 S\n0.666667 0.333333 0.027958 S\n0.333333 0.666667 0.527958 S\n",
"nsites": 24,
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"elements": [
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"Al",
"S"
],
"chemical_system": "Al-La-Mg-S",
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"formula_full": "La6 Mg2 Al2 S14",
"formula_reduced": "La3MgAlS7",
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"energy": -149.94672578,
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"spacegroup": 173
},
{
"id": "mp-1194526",
"created_at": "2022-09-04T14:41:15.109143Z",
"structure_string": "Mg8 S12 N8 O48\n1.0\n10.085465 0.000000 0.000000\n0.000000 10.085465 0.000000\n0.000000 0.000000 10.085465\nMg S N O\n8 12 8 48\ndirect\n0.914685 0.414685 0.085315 Mg\n0.414685 0.085315 0.914685 Mg\n0.085315 0.914685 0.414685 Mg\n0.585315 0.585315 0.585315 Mg\n0.648621 0.148621 0.351379 Mg\n0.148621 0.351379 0.648621 Mg\n0.351379 0.648621 0.148621 Mg\n0.851379 0.851379 0.851379 Mg\n0.233904 0.375675 0.966199 S\n0.033801 0.733904 0.124325 S\n0.875675 0.533801 0.766096 S\n0.733904 0.124325 0.033801 S\n0.533801 0.766096 0.875675 S\n0.375675 0.966199 0.233904 S\n0.766096 0.875675 0.533801 S\n0.966199 0.233904 0.375675 S\n0.124325 0.033801 0.733904 S\n0.266096 0.624325 0.466199 S\n0.466199 0.266096 0.624325 S\n0.624325 0.466199 0.266096 S\n0.433939 0.933939 0.566061 N\n0.933939 0.566061 0.433939 N\n0.566061 0.433939 0.933939 N\n0.066061 0.066061 0.066061 N\n0.202168 0.702168 0.797832 N\n0.702168 0.797832 0.202168 N\n0.797832 0.202168 0.702168 N\n0.297832 0.297832 0.297832 N\n0.093488 0.351922 0.002795 O\n0.997205 0.593488 0.148078 O\n0.851922 0.497205 0.906512 O\n0.593488 0.148078 0.997205 O\n0.497205 0.906512 0.851922 O\n0.351922 0.002795 0.093488 O\n0.906512 0.851922 0.497205 O\n0.002795 0.093488 0.351922 O\n0.148078 0.997205 0.593488 O\n0.406512 0.648078 0.502795 O\n0.502795 0.406512 0.648078 O\n0.648078 0.502795 0.406512 O\n0.309790 0.250728 0.981264 O\n0.018736 0.809790 0.249272 O\n0.750728 0.518736 0.690210 O\n0.809790 0.249272 0.018736 O\n0.518736 0.690210 0.750728 O\n0.250728 0.981264 0.309790 O\n0.690210 0.750728 0.518736 O\n0.981264 0.309790 0.250728 O\n0.249272 0.018736 0.809790 O\n0.190210 0.749272 0.481264 O\n0.481264 0.190210 0.749272 O\n0.749272 0.481264 0.190210 O\n0.238996 0.417220 0.825327 O\n0.174673 0.738996 0.082780 O\n0.917220 0.674673 0.761004 O\n0.738996 0.082780 0.174673 O\n0.674673 0.761004 0.917220 O\n0.417220 0.825327 0.238996 O\n0.761004 0.917220 0.674673 O\n0.825327 0.238996 0.417220 O\n0.082780 0.174673 0.738996 O\n0.261004 0.582780 0.325327 O\n0.325327 0.261004 0.582780 O\n0.582780 0.325327 0.261004 O\n0.291820 0.477343 0.052843 O\n0.947157 0.791820 0.022657 O\n0.977343 0.447157 0.708180 O\n0.791820 0.022657 0.947157 O\n0.447157 0.708180 0.977343 O\n0.477343 0.052843 0.291820 O\n0.708180 0.977343 0.447157 O\n0.052843 0.291820 0.477343 O\n0.022657 0.947157 0.791820 O\n0.208180 0.522657 0.552843 O\n0.552843 0.208180 0.522657 O\n0.522657 0.552843 0.208180 O\n",
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"elements": [
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"N",
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],
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"density": 2.3620520971352144,
"density_atomic": 0.07408423702726954,
"volume": 1025.8592522458628,
"volume_molar": 8.128774759174911,
"formula_full": "Mg8 S12 N8 O48",
"formula_reduced": "Mg2S3(NO6)2",
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"energy": -450.56062591,
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"updated_at": "2021-11-28T01:35:17.512000Z",
"spacegroup": 198
},
{
"id": "mp-865522",
"created_at": "2022-09-04T14:40:16.234188Z",
"structure_string": "Y1 Cd1 Au2\n1.0\n0.000000 3.499673 3.499673\n3.499673 0.000000 3.499673\n3.499673 3.499673 0.000000\nY Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.530180241327978,
"density_atomic": 0.04666030731642355,
"volume": 85.72596774543906,
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"formula_full": "Y1 Cd1 Au2",
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"updated_at": "2021-11-28T01:34:53.379000Z",
"spacegroup": 225
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{
"id": "mp-760199",
"created_at": "2022-09-04T14:40:02.720877Z",
"structure_string": "La9 Mn10 O30\n1.0\n2.790705 4.750845 0.000000\n-2.790705 4.750845 0.000000\n0.000000 3.228578 22.767307\nLa Mn O\n9 10 30\ndirect\n0.447946 0.746461 0.204421 La\n0.551916 0.850696 0.898038 La\n0.655936 0.957761 0.589097 La\n0.253539 0.552054 0.795579 La\n0.042239 0.344064 0.410903 La\n0.149304 0.448084 0.101962 La\n0.753127 0.041392 0.306701 La\n0.849766 0.150234 0.000000 La\n0.958608 0.246873 0.693299 La\n0.395903 0.701484 0.354009 Mn\n0.500282 0.799694 0.050285 Mn\n0.603599 0.896983 0.748259 Mn\n0.298516 0.604097 0.645991 Mn\n0.103017 0.396401 0.251741 Mn\n0.200305 0.499718 0.949715 Mn\n0.798799 0.100578 0.150883 Mn\n0.899422 0.201201 0.849117 Mn\n0.004078 0.298962 0.547831 Mn\n0.701038 0.995922 0.452169 Mn\n0.024066 0.888763 0.913384 O\n0.387705 0.798737 0.702770 O\n0.619409 0.802896 0.393694 O\n0.809157 0.982918 0.801370 O\n0.153982 0.941038 0.596293 O\n0.058962 0.846018 0.403707 O\n0.111237 0.975934 0.086616 O\n0.716559 0.572043 0.287447 O\n0.888832 0.623965 0.013547 O\n0.917476 0.769441 0.687698 O\n0.201263 0.612295 0.297230 O\n0.624418 0.488133 0.113518 O\n0.983472 0.413163 0.900955 O\n0.427957 0.283441 0.712553 O\n0.828396 0.681443 0.509174 O\n0.570512 0.316625 0.388273 O\n0.975089 0.713473 0.187133 O\n0.415595 0.584405 0.000000 O\n0.774675 0.515099 0.787387 O\n0.197104 0.380591 0.606306 O\n0.484901 0.225325 0.212613 O\n0.511867 0.375582 0.886482 O\n0.286527 0.024911 0.812867 O\n0.683375 0.429488 0.611727 O\n0.318557 0.171604 0.490826 O\n0.230559 0.082524 0.312302 O\n0.586837 0.016528 0.099045 O\n0.801739 0.198261 0.500000 O\n0.017082 0.190843 0.198630 O\n0.376035 0.111168 0.986453 O\n",
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"formula_full": "La9 Mn10 O30",
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{
"id": "mp-1046591",
"created_at": "2022-09-04T14:40:02.724734Z",
"structure_string": "Ba2 Tl2 Ni3 O10\n1.0\n-3.681270 0.000000 0.000000\n-0.011914 -3.688155 0.000000\n1.581190 1.252064 19.682811\nBa Tl Ni O\n2 2 3 10\ndirect\n0.103624 0.166759 0.280531 Ba\n0.804000 0.825857 0.718725 Ba\n0.680943 0.724404 0.437921 Tl\n0.236645 0.268027 0.561224 Tl\n0.348212 0.365237 0.835747 Ni\n0.548073 0.625602 0.163479 Ni\n0.410917 0.524317 0.999823 Ni\n0.342148 0.859480 0.817354 O\n0.284772 0.306114 0.664093 O\n0.841875 0.360744 0.819229 O\n0.765347 0.762696 0.544507 O\n0.909858 0.524685 0.004166 O\n0.055290 0.632217 0.181502 O\n0.633761 0.687156 0.335048 O\n0.555897 0.131291 0.180439 O\n0.226562 0.231939 0.454559 O\n0.402539 0.022178 0.994706 O\n",
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"formula_full": "Ba2 Tl2 Ni3 O10",
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{
"id": "mp-759575",
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"structure_string": "Li8 Fe4 Si4 O16\n1.0\n5.041767 0.000000 0.000000\n0.000000 6.334686 0.000000\n0.000000 0.000000 10.762198\nLi Fe Si O\n8 4 4 16\ndirect\n0.683267 0.998725 0.412351 Li\n0.316733 0.001275 0.587649 Li\n0.183267 0.498725 0.087649 Li\n0.816733 0.501275 0.912351 Li\n0.683267 0.501275 0.412351 Li\n0.316733 0.498725 0.587649 Li\n0.816733 0.998725 0.912351 Li\n0.183267 0.001275 0.087649 Li\n0.185592 0.750000 0.338131 Fe\n0.314408 0.750000 0.838131 Fe\n0.685592 0.250000 0.161869 Fe\n0.814408 0.250000 0.661869 Fe\n0.674637 0.750000 0.164675 Si\n0.825363 0.750000 0.664675 Si\n0.325363 0.250000 0.835325 Si\n0.174637 0.250000 0.335325 Si\n0.785808 0.964441 0.093265 O\n0.714192 0.964441 0.593265 O\n0.347076 0.750000 0.161018 O\n0.726157 0.750000 0.811853 O\n0.773843 0.750000 0.311853 O\n0.152924 0.750000 0.661018 O\n0.785808 0.535559 0.093265 O\n0.714192 0.535559 0.593265 O\n0.214192 0.464441 0.906735 O\n0.285808 0.464441 0.406735 O\n0.226157 0.250000 0.688147 O\n0.847076 0.250000 0.338982 O\n0.652924 0.250000 0.838982 O\n0.273843 0.250000 0.188147 O\n0.214192 0.035559 0.906735 O\n0.285808 0.035559 0.406735 O\n",
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"formula_full": "Li8 Fe4 Si4 O16",
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{
"id": "mp-15783",
"created_at": "2022-09-04T14:40:02.731252Z",
"structure_string": "K1 Sm1 S2\n1.0\n7.481983 -2.073038 0.000000\n7.481983 2.073038 0.000000\n6.907605 0.000000 3.544369\nK Sm S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sm\n0.735110 0.735110 0.735110 S\n0.264890 0.264890 0.264890 S\n",
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"formula_full": "K1 Sm1 S2",
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{
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{
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"structure_string": "Mg14 Ni1 W1\n1.0\n6.182402 -0.000000 -0.000000\n-3.091201 5.354117 0.000000\n0.000000 -0.000000 9.750905\nMg Ni W\n14 1 1\ndirect\n0.165340 0.832669 0.125000 Mg\n0.170546 0.835273 0.625000 Mg\n0.667331 0.334660 0.125000 Mg\n0.664727 0.329454 0.625000 Mg\n0.667331 0.832669 0.125000 Mg\n0.664727 0.835273 0.625000 Mg\n0.323466 0.176534 0.372966 Mg\n0.323466 0.176534 0.877034 Mg\n0.323466 0.646933 0.372966 Mg\n0.323466 0.646933 0.877034 Mg\n0.853067 0.176534 0.372966 Mg\n0.853067 0.176534 0.877034 Mg\n0.833333 0.666667 0.377782 Mg\n0.833333 0.666667 0.872218 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 W\n",
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"formula_full": "Mg14 Ni1 W1",
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}