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"results": [
{
"id": "mp-1173476",
"created_at": "2022-09-04T14:44:12.974676Z",
"structure_string": "Sr18 Fe6 Ru3 O34\n1.0\n3.637441 -0.124033 -1.456743\n-1.326598 10.904424 -4.224820\n2.048194 1.958446 20.654229\nSr Fe Ru O\n18 6 3 34\ndirect\n0.352452 0.108502 0.901083 Sr\n0.354990 0.457468 0.902565 Sr\n0.349201 0.781471 0.897066 Sr\n0.358318 0.129731 0.571899 Sr\n0.362144 0.452243 0.573512 Sr\n0.358637 0.777034 0.570034 Sr\n0.641363 0.222966 0.763300 Sr\n0.641682 0.870269 0.761435 Sr\n0.637856 0.547757 0.759822 Sr\n0.349331 0.114855 0.231212 Sr\n0.356289 0.443180 0.236524 Sr\n0.356852 0.793087 0.237835 Sr\n0.650799 0.218529 0.436267 Sr\n0.647548 0.891498 0.432250 Sr\n0.645010 0.542532 0.430768 Sr\n0.643148 0.206913 0.095498 Sr\n0.643711 0.556820 0.096809 Sr\n0.650669 0.885145 0.102121 Sr\n0.000866 0.335635 0.667777 Fe\n0.998860 0.001359 0.998818 Fe\n0.999134 0.664365 0.665557 Fe\n0.000284 0.335512 0.333556 Fe\n0.001140 0.998641 0.334515 Fe\n0.999716 0.664488 0.999777 Fe\n0.000000 0.000000 0.666667 Ru\n0.998952 0.666683 0.332663 Ru\n0.001048 0.333317 0.000670 Ru\n0.157700 0.051220 0.773748 O\n0.165712 0.384417 0.778619 O\n0.159299 0.724377 0.773319 O\n0.996142 0.497346 0.331033 O\n0.000039 0.835167 0.333460 O\n0.156113 0.062902 0.438859 O\n0.155036 0.371987 0.437188 O\n0.155369 0.718096 0.437411 O\n0.501678 0.332493 0.668236 O\n0.498322 0.667507 0.665098 O\n0.500000 0.000000 0.666667 O\n0.155341 0.036271 0.103261 O\n0.160053 0.383157 0.107474 O\n0.159652 0.732609 0.107810 O\n0.844631 0.281904 0.895922 O\n0.844964 0.628013 0.896145 O\n0.843887 0.937098 0.894474 O\n0.497133 0.306409 0.331307 O\n0.497813 0.666315 0.331913 O\n0.499578 0.025232 0.333614 O\n0.840701 0.275623 0.560014 O\n0.834288 0.615583 0.554714 O\n0.842300 0.948780 0.559585 O\n0.001989 0.165648 0.668217 O\n0.000000 0.500000 0.666667 O\n0.998011 0.834352 0.665117 O\n0.500422 0.974768 0.999719 O\n0.502187 0.333685 0.001420 O\n0.502867 0.693591 0.002026 O\n0.840348 0.267391 0.225524 O\n0.839947 0.616842 0.225860 O\n0.844659 0.963729 0.230073 O\n0.999961 0.164833 0.999873 O\n0.003858 0.502654 0.002300 O\n",
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"elements": [
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],
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"volume": 883.3249011568581,
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"formula_full": "Sr18 Fe6 Ru3 O34",
"formula_reduced": "Sr18Fe6Ru3O34",
"formula_anonymous": "A3B6C18D34",
"energy": -432.29290069,
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"updated_at": "2021-11-28T01:36:28.770000Z",
"spacegroup": 12
},
{
"id": "mp-1003766",
"created_at": "2022-09-04T14:44:12.979504Z",
"structure_string": "Na2 Mn4 O8\n1.0\n2.924086 0.000000 0.000000\n0.000000 5.921649 0.000000\n0.000000 0.000000 9.370888\nNa Mn O\n2 4 8\ndirect\n0.500000 0.366548 0.949764 Na\n0.500000 0.633452 0.449764 Na\n0.000000 0.782838 0.126304 Mn\n0.500000 0.887734 0.852676 Mn\n0.500000 0.112266 0.352676 Mn\n0.000000 0.217162 0.626304 Mn\n0.500000 0.583537 0.165475 O\n0.000000 0.101406 0.819235 O\n0.000000 0.898594 0.319235 O\n0.500000 0.416463 0.665475 O\n0.500000 0.993940 0.082720 O\n0.000000 0.692401 0.919323 O\n0.500000 0.006060 0.582720 O\n0.000000 0.307599 0.419323 O\n",
"nsites": 14,
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"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.029309754658295,
"density_atomic": 0.08628086402487994,
"volume": 162.26077657223,
"volume_molar": 6.979694545320567,
"formula_full": "Na2 Mn4 O8",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy": -105.96869401,
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"updated_at": "2021-11-28T01:36:35.223000Z",
"spacegroup": 26
},
{
"id": "mp-1097370",
"created_at": "2022-09-04T14:44:12.980820Z",
"structure_string": "Ca2 Mg1 Ga1\n1.0\n-6.314174 6.412769 9.047189\n6.314174 -6.412769 9.047189\n6.314174 6.412769 -9.047189\nCa Mg Ga\n2 1 1\ndirect\n0.000000 0.273442 0.273442 Ca\n0.000000 0.726558 0.726558 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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],
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"density": 0.19738837011759555,
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"volume": 1465.3311975996253,
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"formula_full": "Ca2 Mg1 Ga1",
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"updated_at": "2021-11-28T01:36:27.765000Z",
"spacegroup": 71
},
{
"id": "mp-807581",
"created_at": "2022-09-04T14:44:13.006354Z",
"structure_string": "Li4 Fe4 O4 F8\n1.0\n5.146430 0.000000 0.000000\n-2.527325 -4.919508 0.000000\n0.227160 2.709234 -8.511237\nLi Fe O F\n4 4 4 8\ndirect\n0.025407 0.739439 0.673998 Li\n0.974700 0.285307 0.325482 Li\n0.459058 0.348321 0.790341 Li\n0.309078 0.698350 0.428961 Li\n0.734619 0.290868 0.583493 Fe\n0.230198 0.233627 0.096306 Fe\n0.539150 0.730782 0.163657 Fe\n0.768176 0.671689 0.929278 Fe\n0.768006 0.825718 0.726047 O\n0.287016 0.790295 0.219774 O\n0.640180 0.525712 0.106312 O\n0.807982 0.198117 0.043258 O\n0.796087 0.482441 0.376430 F\n0.731841 0.781497 0.481405 F\n0.208450 0.839225 0.963704 F\n0.303949 0.194703 0.536498 F\n0.305614 0.487588 0.880764 F\n0.164482 0.504451 0.612776 F\n0.715422 0.182308 0.782282 F\n0.230584 0.189559 0.279234 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"volume": 215.48667751200372,
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"formula_full": "Li4 Fe4 O4 F8",
"formula_reduced": "LiFeOF2",
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"energy": -96.31611281000002,
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"updated_at": "2021-11-28T01:36:34.663000Z",
"spacegroup": 1
},
{
"id": "mp-756426",
"created_at": "2022-09-04T14:44:13.008470Z",
"structure_string": "Zr2 Nb2 O8\n1.0\n5.324504 3.478999 0.000000\n-5.324504 3.478999 0.000000\n0.000000 3.473546 3.795987\nZr Nb O\n2 2 8\ndirect\n0.631561 0.368439 0.750000 Zr\n0.368439 0.631561 0.250000 Zr\n0.103002 0.896998 0.750000 Nb\n0.896998 0.103002 0.250000 Nb\n0.290798 0.229823 0.258589 O\n0.229823 0.290798 0.758589 O\n0.955936 0.383273 0.354676 O\n0.383273 0.955936 0.854676 O\n0.616727 0.044064 0.145324 O\n0.044064 0.616727 0.645324 O\n0.770177 0.709202 0.241411 O\n0.709202 0.770177 0.741411 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Nb-O-Zr",
"density": 5.859582313450328,
"density_atomic": 0.0853282959026197,
"volume": 140.63330192009124,
"volume_molar": 7.057612830886399,
"formula_full": "Zr2 Nb2 O8",
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"formula_anonymous": "ABC4",
"energy": -115.92456019,
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"updated_at": "2021-11-28T01:36:32.033000Z",
"spacegroup": 15
},
{
"id": "mp-21134",
"created_at": "2022-09-04T14:44:13.011244Z",
"structure_string": "K2 In4 Au8\n1.0\n-4.411914 4.411914 4.297948\n4.411914 -4.411914 4.297948\n4.411914 4.411914 -4.297948\nK In Au\n2 4 8\ndirect\n0.750000 0.750000 0.000000 K\n0.250000 0.250000 0.000000 K\n0.853343 0.353343 0.206685 In\n0.353343 0.146657 0.500000 In\n0.646657 0.853343 0.500000 In\n0.146657 0.646657 0.793315 In\n0.684875 0.484945 0.500000 Au\n0.484945 0.984945 0.800071 Au\n0.984945 0.184875 0.500000 Au\n0.184875 0.684875 0.199929 Au\n0.515055 0.015055 0.199929 Au\n0.015055 0.815125 0.500000 Au\n0.315125 0.515055 0.500000 Au\n0.815125 0.315125 0.800071 Au\n",
"nsites": 14,
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"elements": [
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"In",
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],
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"density": 10.48611730146425,
"density_atomic": 0.04183625592305031,
"volume": 334.6379758683542,
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"formula_full": "K2 In4 Au8",
"formula_reduced": "K(InAu2)2",
"formula_anonymous": "AB2C4",
"energy": -43.45863398,
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"spacegroup": 140
},
{
"id": "mp-1191306",
"created_at": "2022-09-04T14:44:13.015311Z",
"structure_string": "Sm5 Co19\n1.0\n-2.486814 -4.307287 0.000000\n2.486814 -4.307287 0.000000\n0.000000 -2.871525 16.110957\nSm Co\n5 19\ndirect\n0.000000 0.000000 0.000000 Sm\n0.079439 0.079439 0.761683 Sm\n0.920561 0.920561 0.238317 Sm\n0.152770 0.152770 0.541690 Sm\n0.847230 0.847230 0.458310 Sm\n0.500000 0.500000 0.500000 Co\n0.251141 0.251141 0.246576 Co\n0.748859 0.748859 0.753424 Co\n0.333363 0.333363 0.999910 Co\n0.666637 0.666637 0.000090 Co\n0.415578 0.415578 0.753266 Co\n0.584422 0.584422 0.246734 Co\n0.124407 0.621491 0.632610 Co\n0.621491 0.621491 0.632610 Co\n0.621491 0.124407 0.632610 Co\n0.875593 0.378509 0.367390 Co\n0.378509 0.378509 0.367390 Co\n0.378509 0.875593 0.367390 Co\n0.041693 0.540394 0.877518 Co\n0.540394 0.540394 0.877518 Co\n0.540394 0.041693 0.877518 Co\n0.958307 0.459606 0.122482 Co\n0.459606 0.459606 0.122482 Co\n0.459606 0.958307 0.122482 Co\n",
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{
"id": "mp-1026740",
"created_at": "2022-09-04T14:44:13.024322Z",
"structure_string": "La1 Mg14 Cd1\n1.0\n6.579431 -0.000000 -0.000000\n-3.289716 5.697954 -0.000000\n-0.000000 -0.000000 10.339014\nLa Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.176899 0.838449 0.125000 Mg\n0.165036 0.832518 0.625000 Mg\n0.661551 0.323101 0.125000 Mg\n0.667482 0.334964 0.625000 Mg\n0.661551 0.838449 0.125000 Mg\n0.667482 0.832518 0.625000 Mg\n0.335305 0.164695 0.382135 Mg\n0.335305 0.164695 0.867865 Mg\n0.335305 0.670611 0.382135 Mg\n0.335305 0.670611 0.867865 Mg\n0.829389 0.164695 0.382135 Mg\n0.829389 0.164695 0.867865 Mg\n0.833333 0.666667 0.371016 Mg\n0.833333 0.666667 0.878984 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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],
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"formula_full": "La1 Mg14 Cd1",
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{
"id": "mp-1063005",
"created_at": "2022-09-04T14:44:13.134269Z",
"structure_string": "Li3\n1.0\n2.452644 -4.248104 0.000000\n2.452644 4.248104 0.000000\n0.000000 0.000000 2.889208\nLi\n3\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n",
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{
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},
{
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"structure_string": "Nd6 Mn23\n1.0\n0.000000 6.081005 6.081005\n6.081005 0.000000 6.081005\n6.081005 6.081005 0.000000\nNd Mn\n6 23\ndirect\n0.704013 0.704013 0.295987 Nd\n0.295987 0.704013 0.295987 Nd\n0.704013 0.295987 0.295987 Nd\n0.295987 0.295987 0.704013 Nd\n0.704013 0.295987 0.704013 Nd\n0.295987 0.704013 0.704013 Nd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.879663 0.879663 0.361010 Mn\n0.879663 0.361010 0.879663 Mn\n0.361010 0.879663 0.879663 Mn\n0.879663 0.879663 0.879663 Mn\n0.120337 0.120337 0.638990 Mn\n0.120337 0.638990 0.120337 Mn\n0.638990 0.120337 0.120337 Mn\n0.120337 0.120337 0.120337 Mn\n0.680483 0.680483 0.958551 Mn\n0.680483 0.958551 0.680483 Mn\n0.958551 0.680483 0.680483 Mn\n0.680483 0.680483 0.680483 Mn\n0.319517 0.319517 0.041449 Mn\n0.319517 0.041449 0.319517 Mn\n0.041449 0.319517 0.319517 Mn\n0.319517 0.319517 0.319517 Mn\n",
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{
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]
}