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{
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"results": [
{
"id": "mp-770678",
"created_at": "2022-09-04T14:39:09.409539Z",
"structure_string": "Li8 Cr8 O28\n1.0\n8.370545 0.000000 0.000000\n0.000000 6.743033 0.000000\n0.000000 1.887607 9.442308\nLi Cr O\n8 8 28\ndirect\n0.619581 0.855341 0.964567 Li\n0.880419 0.855341 0.464567 Li\n0.617085 0.694716 0.685814 Li\n0.882915 0.694716 0.185814 Li\n0.117085 0.305284 0.814186 Li\n0.382915 0.305284 0.314186 Li\n0.119581 0.144659 0.535433 Li\n0.380419 0.144659 0.035433 Li\n0.984539 0.810699 0.816447 Cr\n0.515461 0.810699 0.316447 Cr\n0.245348 0.645854 0.530200 Cr\n0.254652 0.645854 0.030200 Cr\n0.745348 0.354146 0.969800 Cr\n0.754652 0.354146 0.469800 Cr\n0.484539 0.189301 0.683553 Cr\n0.015461 0.189301 0.183553 Cr\n0.577964 0.976817 0.744931 O\n0.371695 0.844462 0.990445 O\n0.874077 0.833522 0.952264 O\n0.922036 0.976817 0.244931 O\n0.128305 0.844462 0.490445 O\n0.625923 0.833522 0.452264 O\n0.873221 0.746248 0.692639 O\n0.371416 0.681710 0.650010 O\n0.131675 0.617122 0.879932 O\n0.639764 0.557438 0.909179 O\n0.626779 0.746248 0.192639 O\n0.128584 0.681710 0.150010 O\n0.368325 0.617122 0.379932 O\n0.860236 0.557438 0.409179 O\n0.139764 0.442562 0.590821 O\n0.631675 0.382878 0.620068 O\n0.871416 0.318290 0.849990 O\n0.373221 0.253752 0.807361 O\n0.360236 0.442562 0.090821 O\n0.868325 0.382878 0.120068 O\n0.628584 0.318290 0.349990 O\n0.126779 0.253752 0.307361 O\n0.374077 0.166478 0.547736 O\n0.871695 0.155538 0.509555 O\n0.077964 0.023183 0.755069 O\n0.125923 0.166478 0.047736 O\n0.628305 0.155538 0.009555 O\n0.422036 0.023183 0.255069 O\n",
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"formula_full": "Li8 Cr8 O28",
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"updated_at": "2021-11-28T01:34:31.211000Z",
"spacegroup": 14
},
{
"id": "mp-1192245",
"created_at": "2022-09-04T14:39:09.414639Z",
"structure_string": "Os1 Rh2 N10 Cl10\n1.0\n4.387573 5.184365 0.000000\n-4.387573 5.184365 0.000000\n0.000000 3.127441 12.555435\nOs Rh N Cl\n1 2 10 10\ndirect\n0.000000 0.000000 0.500000 Os\n0.334148 0.334148 0.738273 Rh\n0.665852 0.665852 0.261727 Rh\n0.151752 0.486283 0.667110 N\n0.486283 0.151752 0.667110 N\n0.848248 0.513717 0.332890 N\n0.513717 0.848248 0.332890 N\n0.120453 0.412855 0.884029 N\n0.412855 0.120453 0.884029 N\n0.879547 0.587145 0.115971 N\n0.587145 0.879547 0.115971 N\n0.531942 0.531942 0.725999 N\n0.468058 0.468058 0.274001 N\n0.222613 0.222613 0.489709 Cl\n0.777387 0.777387 0.510291 Cl\n0.959420 0.959420 0.683195 Cl\n0.040580 0.040580 0.316805 Cl\n0.264482 0.735518 0.500000 Cl\n0.735518 0.264482 0.500000 Cl\n0.234008 0.234008 0.952042 Cl\n0.765992 0.765992 0.047958 Cl\n0.580419 0.580419 0.837797 Cl\n0.419581 0.419581 0.162203 Cl\n",
"nsites": 23,
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"elements": [
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"N",
"Cl"
],
"chemical_system": "Cl-N-Os-Rh",
"density": 2.589218094035148,
"density_atomic": 0.040266710380442154,
"volume": 571.1914328907105,
"volume_molar": 14.955631346843271,
"formula_full": "Os1 Rh2 N10 Cl10",
"formula_reduced": "OsRh2(NCl)10",
"formula_anonymous": "AB2C10D10",
"energy": -109.98919594,
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"updated_at": "2021-11-28T01:34:42.383000Z",
"spacegroup": 12
},
{
"id": "mp-1211093",
"created_at": "2022-09-04T14:39:09.417416Z",
"structure_string": "Li2 Ca2 Fe2 F12\n1.0\n-2.612988 -4.525828 0.000000\n-2.612988 4.525828 0.000000\n0.000000 0.000000 -9.928048\nLi Ca Fe F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Fe\n0.333333 0.666667 0.250000 Fe\n0.984417 0.345615 0.860476 F\n0.015583 0.654385 0.139524 F\n0.361198 0.015583 0.860476 F\n0.361198 0.345615 0.639524 F\n0.638802 0.984417 0.139524 F\n0.638802 0.654385 0.360476 F\n0.654385 0.638802 0.860476 F\n0.654385 0.015583 0.639524 F\n0.345615 0.361198 0.139524 F\n0.345615 0.984417 0.360476 F\n0.984417 0.638802 0.639524 F\n0.015583 0.361198 0.360476 F\n",
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"elements": [
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"F"
],
"chemical_system": "Ca-F-Fe-Li",
"density": 3.0670301546737564,
"density_atomic": 0.0766554753323354,
"volume": 234.8168858383832,
"volume_molar": 7.8561129963533025,
"formula_full": "Li2 Ca2 Fe2 F12",
"formula_reduced": "LiCaFeF6",
"formula_anonymous": "ABCD6",
"energy": -107.42523902,
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"updated_at": "2021-11-28T01:34:35.679000Z",
"spacegroup": 163
},
{
"id": "mp-1213824",
"created_at": "2022-09-04T14:39:09.420792Z",
"structure_string": "Ce8 Ge6\n1.0\n-4.493884 4.493884 4.493884\n4.493884 -4.493884 4.493884\n4.493884 4.493884 -4.493884\nCe Ge\n8 6\ndirect\n0.356337 0.356337 0.356337 Ce\n0.143663 0.500000 0.000000 Ce\n0.000000 0.143663 0.500000 Ce\n0.856337 0.856337 0.856337 Ce\n0.500000 0.000000 0.143663 Ce\n0.643663 0.500000 0.000000 Ce\n0.500000 0.000000 0.643663 Ce\n0.000000 0.643663 0.500000 Ce\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.750000 0.375000 0.625000 Ge\n",
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"elements": [
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],
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"density": 7.121105640647577,
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"volume": 363.01583097953704,
"volume_molar": 15.615231659051005,
"formula_full": "Ce8 Ge6",
"formula_reduced": "Ce4Ge3",
"formula_anonymous": "A3B4",
"energy": -84.96092033,
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"spacegroup": 220
},
{
"id": "mp-554823",
"created_at": "2022-09-04T14:39:09.423055Z",
"structure_string": "Na4 Sn2 C8 O16\n1.0\n2.881923 5.266539 0.000000\n-2.881923 5.266539 0.000000\n0.000000 4.379165 13.181117\nNa Sn C O\n4 2 8 16\ndirect\n0.824854 0.799005 0.551223 Na\n0.175146 0.200995 0.448777 Na\n0.200995 0.175146 0.948777 Na\n0.799005 0.824854 0.051223 Na\n0.824189 0.175811 0.750000 Sn\n0.175811 0.824189 0.250000 Sn\n0.330945 0.360251 0.134245 C\n0.360251 0.330945 0.634245 C\n0.639749 0.669055 0.365755 C\n0.417956 0.605488 0.889614 C\n0.582044 0.394512 0.110386 C\n0.669055 0.639749 0.865755 C\n0.394512 0.582044 0.610386 C\n0.605488 0.417956 0.389614 C\n0.527438 0.121232 0.685165 O\n0.178805 0.349756 0.598343 O\n0.209527 0.764043 0.940441 O\n0.472562 0.878768 0.314835 O\n0.407159 0.446096 0.358703 O\n0.821195 0.650244 0.401657 O\n0.553904 0.592841 0.141297 O\n0.764043 0.209527 0.440441 O\n0.592841 0.553904 0.641297 O\n0.235957 0.790473 0.559559 O\n0.446096 0.407159 0.858703 O\n0.121232 0.527438 0.185165 O\n0.878768 0.472562 0.814835 O\n0.349756 0.178805 0.098343 O\n0.650244 0.821195 0.901657 O\n0.790473 0.235957 0.059559 O\n",
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"elements": [
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],
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"volume_molar": 8.031922992499137,
"formula_full": "Na4 Sn2 C8 O16",
"formula_reduced": "Na2Sn(CO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -218.54029332,
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"spacegroup": 15
},
{
"id": "mp-1197790",
"created_at": "2022-09-04T14:39:09.428632Z",
"structure_string": "Ga8 H64 N16 O8 F40\n1.0\n9.344287 0.000000 0.000000\n0.000000 11.133112 0.000000\n0.000000 0.000000 11.284531\nGa H N O F\n8 64 16 8 40\ndirect\n0.719316 0.113392 0.938583 Ga\n0.219316 0.386608 0.061417 Ga\n0.280684 0.613392 0.561417 Ga\n0.780684 0.886608 0.438583 Ga\n0.280684 0.886608 0.061417 Ga\n0.780684 0.613392 0.938583 Ga\n0.719316 0.386608 0.438583 Ga\n0.219316 0.113392 0.561417 Ga\n0.496814 0.238757 0.803173 H\n0.996814 0.261243 0.196827 H\n0.503186 0.738757 0.696827 H\n0.003186 0.761243 0.303173 H\n0.503186 0.761243 0.196827 H\n0.003186 0.738757 0.803173 H\n0.496814 0.261243 0.303173 H\n0.996814 0.238757 0.696827 H\n0.551127 0.314084 0.678062 H\n0.051127 0.185916 0.321938 H\n0.448873 0.814084 0.821938 H\n0.948873 0.685916 0.178062 H\n0.448873 0.685916 0.321938 H\n0.948873 0.814084 0.678062 H\n0.551127 0.185916 0.178062 H\n0.051127 0.314084 0.821938 H\n0.369399 0.296103 0.708669 H\n0.869399 0.203897 0.291331 H\n0.630601 0.796103 0.791331 H\n0.130601 0.703897 0.208669 H\n0.630601 0.703897 0.291331 H\n0.130601 0.796103 0.708669 H\n0.369399 0.203897 0.208669 H\n0.869399 0.296103 0.791331 H\n0.388039 0.475991 0.781611 H\n0.888039 0.024009 0.218389 H\n0.611961 0.975991 0.718389 H\n0.111961 0.524009 0.281611 H\n0.611961 0.524009 0.218389 H\n0.111961 0.975991 0.781611 H\n0.388039 0.024009 0.281611 H\n0.888039 0.475991 0.718389 H\n0.571026 0.466223 0.801872 H\n0.071026 0.033777 0.198128 H\n0.428974 0.966223 0.698128 H\n0.928974 0.533777 0.301872 H\n0.428974 0.533777 0.198128 H\n0.928974 0.966223 0.801872 H\n0.571026 0.033777 0.301872 H\n0.071026 0.466223 0.698128 H\n0.453219 0.403163 0.905817 H\n0.953219 0.096837 0.094183 H\n0.546781 0.903163 0.594183 H\n0.046781 0.596837 0.405817 H\n0.546781 0.596837 0.094183 H\n0.046781 0.903163 0.905817 H\n0.453219 0.096837 0.405817 H\n0.953219 0.403163 0.594183 H\n0.748991 0.882686 0.968150 H\n0.248991 0.617314 0.031850 H\n0.251009 0.382686 0.531850 H\n0.751009 0.117314 0.468150 H\n0.251009 0.117314 0.031850 H\n0.751009 0.382686 0.968150 H\n0.748991 0.617314 0.468150 H\n0.248991 0.882686 0.531850 H\n0.629360 0.928849 0.060171 H\n0.129360 0.571151 0.939829 H\n0.370640 0.428849 0.439829 H\n0.870640 0.071151 0.560171 H\n0.370640 0.071151 0.939829 H\n0.870640 0.428849 0.060171 H\n0.629360 0.571151 0.560171 H\n0.129360 0.928849 0.439829 H\n0.471624 0.310501 0.746708 N\n0.971624 0.189499 0.253292 N\n0.528376 0.810501 0.753292 N\n0.028376 0.689499 0.246708 N\n0.528376 0.689499 0.253292 N\n0.028376 0.810501 0.746708 N\n0.471624 0.189499 0.246708 N\n0.971624 0.310501 0.753292 N\n0.471871 0.421864 0.813188 N\n0.971871 0.078136 0.186812 N\n0.528129 0.921864 0.686812 N\n0.028129 0.578136 0.313188 N\n0.528129 0.578136 0.186812 N\n0.028129 0.921864 0.813188 N\n0.471871 0.078136 0.313188 N\n0.971871 0.421864 0.686812 N\n0.719675 0.951931 0.018489 O\n0.219675 0.548069 0.981511 O\n0.280325 0.451931 0.481511 O\n0.780325 0.048069 0.518489 O\n0.280325 0.048069 0.981511 O\n0.780325 0.451931 0.018489 O\n0.719675 0.548069 0.518489 O\n0.219675 0.951931 0.481511 O\n0.725473 0.274025 0.869267 F\n0.225473 0.225975 0.130733 F\n0.274527 0.774025 0.630733 F\n0.774527 0.725975 0.369267 F\n0.274527 0.725975 0.130733 F\n0.774527 0.774025 0.869267 F\n0.725473 0.225975 0.369267 F\n0.225473 0.274025 0.630733 F\n0.522099 0.108300 0.885006 F\n0.022099 0.391700 0.114994 F\n0.477901 0.608300 0.614994 F\n0.977901 0.891700 0.385006 F\n0.477901 0.891700 0.114994 F\n0.977901 0.608300 0.885006 F\n0.522099 0.391700 0.385006 F\n0.022099 0.108300 0.614994 F\n0.766648 0.033311 0.791754 F\n0.266648 0.466689 0.208246 F\n0.233352 0.533311 0.708246 F\n0.733352 0.966689 0.291754 F\n0.233352 0.966689 0.208246 F\n0.733352 0.533311 0.791754 F\n0.766648 0.466689 0.291754 F\n0.266648 0.033311 0.708246 F\n0.920314 0.127187 0.967489 F\n0.420314 0.372813 0.032511 F\n0.079686 0.627187 0.532511 F\n0.579686 0.872813 0.467489 F\n0.079686 0.872813 0.032511 F\n0.579686 0.627187 0.967489 F\n0.920314 0.372813 0.467489 F\n0.420314 0.127187 0.532511 F\n0.674255 0.177706 0.089766 F\n0.174255 0.322294 0.910234 F\n0.325745 0.677706 0.410234 F\n0.825745 0.822294 0.589766 F\n0.325745 0.822294 0.910234 F\n0.825745 0.677706 0.089766 F\n0.674255 0.322294 0.589766 F\n0.174255 0.177706 0.410234 F\n",
"nsites": 136,
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"elements": [
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"formula_full": "Ga8 H64 N16 O8 F40",
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"energy": -698.34629933,
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"spacegroup": 61
},
{
"id": "mp-1214186",
"created_at": "2022-09-04T14:39:09.430591Z",
"structure_string": "C12 I4 F8\n1.0\n6.125917 0.000000 0.000000\n0.000000 8.095776 0.000000\n0.000000 1.707800 9.161721\nC I F\n12 4 8\ndirect\n0.193389 0.969382 0.932192 C\n0.806611 0.030618 0.067808 C\n0.693389 0.030618 0.567808 C\n0.306611 0.969382 0.432192 C\n0.428827 0.836320 0.508052 C\n0.571173 0.163680 0.491948 C\n0.928827 0.163680 0.991948 C\n0.071173 0.836320 0.008052 C\n0.875798 0.864559 0.077148 C\n0.124202 0.135441 0.922852 C\n0.375798 0.135441 0.422852 C\n0.624202 0.864559 0.577148 C\n0.306264 0.334779 0.809458 I\n0.693736 0.665221 0.190542 I\n0.806264 0.665221 0.690542 I\n0.193736 0.334779 0.309458 I\n0.354623 0.677719 0.513400 F\n0.645377 0.322281 0.486600 F\n0.854623 0.322281 0.986600 F\n0.145377 0.677719 0.013400 F\n0.380848 0.934518 0.866447 F\n0.619152 0.065482 0.133553 F\n0.880848 0.065482 0.633553 F\n0.119152 0.934518 0.366447 F\n",
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