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{
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{
"id": "mp-561236",
"created_at": "2022-09-04T14:46:55.434862Z",
"structure_string": "Pb26 Cl12 O20\n1.0\n3.543373 8.181950 0.000000\n-3.543373 8.181950 0.000000\n0.000000 3.271985 23.568971\nPb Cl O\n26 12 20\ndirect\n0.674450 0.116954 0.790680 Pb\n0.618026 0.733381 0.846762 Pb\n0.006292 0.159701 0.866586 Pb\n0.840299 0.993708 0.633414 Pb\n0.949963 0.777909 0.916789 Pb\n0.116954 0.674450 0.290680 Pb\n0.292243 0.802927 0.988563 Pb\n0.166083 0.366411 0.437371 Pb\n0.993708 0.840299 0.133414 Pb\n0.236423 0.763577 0.750000 Pb\n0.802927 0.292243 0.488563 Pb\n0.777909 0.949963 0.416789 Pb\n0.833917 0.633589 0.562629 Pb\n0.366411 0.166083 0.937371 Pb\n0.159701 0.006292 0.366586 Pb\n0.633589 0.833917 0.062629 Pb\n0.325550 0.883046 0.209320 Pb\n0.883046 0.325550 0.709320 Pb\n0.197073 0.707757 0.511437 Pb\n0.733381 0.618026 0.346762 Pb\n0.707757 0.197073 0.011437 Pb\n0.222091 0.050037 0.583211 Pb\n0.050037 0.222091 0.083211 Pb\n0.266619 0.381974 0.653238 Pb\n0.381974 0.266619 0.153238 Pb\n0.763577 0.236423 0.250000 Pb\n0.494250 0.180985 0.543684 Cl\n0.009327 0.350085 0.252598 Cl\n0.429135 0.505554 0.364602 Cl\n0.494446 0.570865 0.135398 Cl\n0.350085 0.009327 0.752598 Cl\n0.570865 0.494446 0.635398 Cl\n0.505750 0.819015 0.456316 Cl\n0.649915 0.990673 0.247402 Cl\n0.505554 0.429135 0.864602 Cl\n0.990673 0.649915 0.747402 Cl\n0.180985 0.494250 0.043684 Cl\n0.819015 0.505750 0.956316 Cl\n0.985289 0.967651 0.817069 O\n0.982235 0.673836 0.481726 O\n0.002157 0.018013 0.558072 O\n0.950254 0.330530 0.401534 O\n0.967651 0.985289 0.317069 O\n0.997843 0.981987 0.441928 O\n0.032349 0.014711 0.682931 O\n0.326164 0.017765 0.018274 O\n0.330530 0.950254 0.901534 O\n0.018013 0.002157 0.058072 O\n0.660767 0.947666 0.863597 O\n0.947666 0.660767 0.363597 O\n0.673836 0.982235 0.981726 O\n0.052334 0.339233 0.636403 O\n0.981987 0.997843 0.941928 O\n0.669469 0.049746 0.098466 O\n0.014711 0.032349 0.182931 O\n0.049746 0.669469 0.598466 O\n0.339233 0.052334 0.136403 O\n0.017765 0.326164 0.518274 O\n",
"nsites": 58,
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"elements": [
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"Cl",
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"volume": 1366.6091068958028,
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"formula_full": "Pb26 Cl12 O20",
"formula_reduced": "Pb13(Cl3O5)2",
"formula_anonymous": "A6B10C13",
"energy": -307.28344152,
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"updated_at": "2021-11-28T01:37:49.168000Z",
"spacegroup": 15
},
{
"id": "mp-30709",
"created_at": "2022-09-04T14:46:58.724452Z",
"structure_string": "La2 Zn17\n1.0\n5.187355 -4.565131 0.000000\n5.187355 4.565131 0.000000\n1.169813 0.000000 6.810331\nLa Zn\n2 17\ndirect\n0.663514 0.663514 0.663514 La\n0.336486 0.336486 0.336486 La\n0.348550 0.348550 0.839732 Zn\n0.839732 0.348550 0.348550 Zn\n0.098378 0.098378 0.098378 Zn\n0.901622 0.901622 0.901622 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.290522 0.709478 0.000000 Zn\n0.709478 0.000000 0.290522 Zn\n0.000000 0.290522 0.709478 Zn\n0.709478 0.290522 0.000000 Zn\n0.290522 0.000000 0.709478 Zn\n0.000000 0.709478 0.290522 Zn\n0.160268 0.651450 0.651450 Zn\n0.651450 0.651450 0.160268 Zn\n0.651450 0.160268 0.651450 Zn\n0.348550 0.839732 0.348550 Zn\n",
"nsites": 19,
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"elements": [
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"chemical_system": "La-Zn",
"density": 7.154721044811085,
"density_atomic": 0.058905543891162766,
"volume": 322.55028550632653,
"volume_molar": 10.223385376301508,
"formula_full": "La2 Zn17",
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"formula_anonymous": "A2B17",
"energy": -36.47651627,
"energy_per_atom": -1.9198166457894736,
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"updated_at": "2021-11-28T01:37:49.174000Z",
"spacegroup": 166
},
{
"id": "mp-1095215",
"created_at": "2022-09-04T14:46:42.242993Z",
"structure_string": "K2 Mg1 C2 O6\n1.0\n2.613612 4.501363 0.000000\n-2.613612 4.501363 0.000000\n0.000000 3.222278 5.907994\nK Mg C O\n2 1 2 6\ndirect\n0.784291 0.784291 0.638049 K\n0.215709 0.215709 0.361951 K\n0.000000 0.000000 0.000000 Mg\n0.396256 0.396256 0.791975 C\n0.603744 0.603744 0.208025 C\n0.261800 0.261800 0.765481 O\n0.738200 0.738200 0.234519 O\n0.248437 0.681034 0.799633 O\n0.681034 0.248437 0.799633 O\n0.751563 0.318966 0.200367 O\n0.318966 0.751563 0.200367 O\n",
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"elements": [
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"Mg",
"C",
"O"
],
"chemical_system": "C-K-Mg-O",
"density": 2.658041664399342,
"density_atomic": 0.07912933056595585,
"volume": 139.01292885109504,
"volume_molar": 7.610503863646904,
"formula_full": "K2 Mg1 C2 O6",
"formula_reduced": "K2Mg(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -76.92140171,
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"updated_at": "2021-11-28T01:37:49.175000Z",
"spacegroup": 12
},
{
"id": "mp-975834",
"created_at": "2022-09-04T14:47:01.169136Z",
"structure_string": "Mo2 Ru6\n1.0\n2.757540 -4.776199 0.000000\n2.757540 4.776199 0.000000\n0.000000 0.000000 4.372838\nMo Ru\n2 6\ndirect\n0.666667 0.333333 0.250000 Mo\n0.333333 0.666667 0.750000 Mo\n0.833403 0.166597 0.750000 Ru\n0.333195 0.166597 0.750000 Ru\n0.833403 0.666805 0.750000 Ru\n0.166597 0.833403 0.250000 Ru\n0.666805 0.833403 0.250000 Ru\n0.166597 0.333195 0.250000 Ru\n",
"nsites": 8,
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"elements": [
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"Ru"
],
"chemical_system": "Mo-Ru",
"density": 11.508470490145957,
"density_atomic": 0.06945321733475203,
"volume": 115.18544866599105,
"volume_molar": 8.670787317129404,
"formula_full": "Mo2 Ru6",
"formula_reduced": "MoRu3",
"formula_anonymous": "AB3",
"energy": -77.82641629,
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"updated_at": "2021-11-28T01:37:49.182000Z",
"spacegroup": 194
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{
"id": "mp-760837",
"created_at": "2022-09-04T14:46:55.026842Z",
"structure_string": "Rb3 Nb20 O34\n1.0\n6.082524 0.000000 0.000000\n0.000000 10.534261 0.000000\n0.000000 3.493853 13.107872\nRb Nb O\n3 20 34\ndirect\n0.000000 0.128967 0.560712 Rb\n0.500000 0.357304 0.430785 Rb\n0.500000 0.662247 0.558347 Rb\n0.772197 0.046303 0.088033 Nb\n0.500000 0.054862 0.330230 Nb\n0.227803 0.046303 0.088033 Nb\n0.000000 0.240386 0.269748 Nb\n0.000000 0.180602 0.912312 Nb\n0.500000 0.317804 0.088800 Nb\n0.500000 0.255161 0.729239 Nb\n0.728441 0.546829 0.089191 Nb\n0.000000 0.560118 0.329126 Nb\n0.000000 0.439999 0.671353 Nb\n0.271559 0.546829 0.089191 Nb\n0.000000 0.819254 0.088748 Nb\n0.728476 0.452772 0.911415 Nb\n0.271524 0.452772 0.911415 Nb\n0.500000 0.746306 0.270738 Nb\n0.000000 0.757416 0.727882 Nb\n0.500000 0.681635 0.911743 Nb\n0.500000 0.946504 0.673799 Nb\n0.773121 0.952677 0.912797 Nb\n0.226879 0.952677 0.912797 Nb\n0.000000 0.111185 0.184410 O\n0.500000 0.104958 0.183918 O\n0.751552 0.134229 0.370207 O\n0.000000 0.374501 0.366778 O\n0.753650 0.355562 0.183919 O\n0.747158 0.145344 0.813924 O\n0.248448 0.134229 0.370207 O\n0.500000 0.131472 0.622802 O\n0.745083 0.371030 0.624481 O\n0.246350 0.355562 0.183919 O\n0.000000 0.607027 0.183178 O\n0.000000 0.392696 0.817818 O\n0.252842 0.145344 0.813924 O\n0.749487 0.250780 0.000153 O\n0.254917 0.371030 0.624481 O\n0.500000 0.392026 0.815894 O\n0.250513 0.250780 0.000153 O\n0.000000 0.499631 0.000323 O\n0.500000 0.607341 0.184623 O\n0.739229 0.624318 0.372054 O\n0.000000 0.624868 0.632816 O\n0.742936 0.852657 0.184970 O\n0.753727 0.645042 0.816352 O\n0.260771 0.624318 0.372054 O\n0.500000 0.870106 0.370057 O\n0.753812 0.873017 0.631698 O\n0.257064 0.852657 0.184970 O\n0.000000 0.891174 0.815724 O\n0.750040 0.748719 0.000742 O\n0.246273 0.645042 0.816352 O\n0.246188 0.873017 0.631698 O\n0.500000 0.894024 0.820196 O\n0.249960 0.748719 0.000742 O\n0.500000 0.000342 0.000301 O\n",
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"elements": [
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"Nb",
"O"
],
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"density": 5.256145712489206,
"density_atomic": 0.06786639153356368,
"volume": 839.8855267236413,
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"formula_full": "Rb3 Nb20 O34",
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"energy": -525.6081358499999,
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"updated_at": "2021-11-28T01:37:49.184000Z",
"spacegroup": 6
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{
"id": "mp-662530",
"created_at": "2022-09-04T14:46:57.256369Z",
"structure_string": "K4 Ni4 P4 S16\n1.0\n8.411613 0.000000 0.000000\n0.000000 8.411613 0.000000\n0.000000 0.000000 10.958116\nK Ni P S\n4 4 4 16\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.249393 0.750607 0.500000 P\n0.750607 0.249393 0.500000 P\n0.250607 0.250607 0.000000 P\n0.749393 0.749393 0.000000 P\n0.262259 0.006188 0.000000 S\n0.993812 0.737741 0.000000 S\n0.506188 0.237741 0.500000 S\n0.006188 0.262259 0.000000 S\n0.493812 0.762259 0.500000 S\n0.865404 0.134596 0.640005 S\n0.737741 0.993812 0.000000 S\n0.365404 0.365404 0.140005 S\n0.237741 0.506188 0.500000 S\n0.865404 0.134596 0.359995 S\n0.762259 0.493812 0.500000 S\n0.365404 0.365404 0.859995 S\n0.634596 0.634596 0.859995 S\n0.634596 0.634596 0.140005 S\n0.134596 0.865404 0.359995 S\n0.134596 0.865404 0.640005 S\n",
"nsites": 28,
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"formula_full": "K4 Ni4 P4 S16",
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{
"id": "mp-8655",
"created_at": "2022-09-04T14:46:58.117870Z",
"structure_string": "Sm2 Si2 Ru2\n1.0\n4.226454 0.000000 0.000000\n0.000000 4.226454 0.000000\n0.000000 0.000000 6.796044\nSm Si Ru\n2 2 2\ndirect\n0.500000 0.000000 0.679023 Sm\n0.000000 0.500000 0.320977 Sm\n0.500000 0.000000 0.179666 Si\n0.000000 0.500000 0.820334 Si\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.646743347083611,
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"volume": 121.3971455305226,
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"formula_full": "Sm2 Si2 Ru2",
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"updated_at": "2021-11-28T01:37:49.187000Z",
"spacegroup": 129
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{
"id": "mp-1191787",
"created_at": "2022-09-04T14:47:03.465158Z",
"structure_string": "Li2 Ca6 Os2 O12\n1.0\n-4.669871 2.696150 3.619212\n-0.000002 -5.392304 3.619212\n4.669873 2.696154 3.619212\nLi Ca Os O\n2 6 2 12\ndirect\n0.250001 0.250001 0.250001 Li\n0.749999 0.749999 0.749999 Li\n0.603911 0.249999 0.896089 Ca\n0.396089 0.750001 0.103911 Ca\n0.896089 0.603911 0.249999 Ca\n0.103911 0.396089 0.750001 Ca\n0.249999 0.896089 0.603911 Ca\n0.750001 0.103911 0.396089 Ca\n0.000000 0.000000 0.000000 Os\n0.500000 0.500001 0.500000 Os\n0.208606 0.550163 0.421744 O\n0.791394 0.449837 0.578256 O\n0.078251 0.949835 0.291390 O\n0.921748 0.050166 0.708610 O\n0.421744 0.208606 0.550164 O\n0.578256 0.791393 0.449837 O\n0.949834 0.291390 0.078251 O\n0.050166 0.708610 0.921749 O\n0.550164 0.421744 0.208606 O\n0.449837 0.578256 0.791394 O\n0.291391 0.078251 0.949834 O\n0.708609 0.921749 0.050166 O\n",
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"formula_full": "Li2 Ca6 Os2 O12",
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{
"id": "mp-1245256",
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"structure_string": "Cr8 Fe24 O48\n1.0\n10.165626 -0.150122 -0.130368\n-0.147560 10.220251 0.030183\n-0.124073 0.018782 10.166872\nCr Fe O\n8 24 48\ndirect\n0.626548 0.821722 0.635221 Cr\n0.336649 0.049073 0.890254 Cr\n0.550524 0.299243 0.941061 Cr\n0.762002 0.546675 0.787303 Cr\n0.755780 0.367039 0.525447 Cr\n0.302085 0.611895 0.164172 Cr\n0.043794 0.068543 0.513203 Cr\n0.045209 0.274658 0.818331 Cr\n0.124666 0.780188 0.435348 Fe\n0.327778 0.333093 0.703053 Fe\n0.670563 0.046842 0.973331 Fe\n0.028452 0.532668 0.661755 Fe\n0.846383 0.771354 0.374745 Fe\n0.321030 0.536635 0.512573 Fe\n0.452368 0.914272 0.345409 Fe\n0.848031 0.798108 0.830226 Fe\n0.668857 0.805007 0.125944 Fe\n0.022515 0.556738 0.954288 Fe\n0.694946 0.449340 0.187394 Fe\n0.332363 0.989500 0.614162 Fe\n0.328810 0.220274 0.374105 Fe\n0.569047 0.648131 0.370001 Fe\n0.459853 0.558734 0.866775 Fe\n0.805740 0.121960 0.734091 Fe\n0.884157 0.055091 0.258465 Fe\n0.214296 0.994623 0.197070 Fe\n0.875933 0.275003 0.050850 Fe\n0.247488 0.314190 0.054801 Fe\n0.061098 0.023863 0.967532 Fe\n0.040662 0.515704 0.232800 Fe\n0.165465 0.801388 0.771548 Fe\n0.553066 0.140833 0.184900 Fe\n0.744418 0.208297 0.575397 O\n0.801847 0.886498 0.238046 O\n0.243815 0.440479 0.200696 O\n0.163570 0.883935 0.599146 O\n0.540527 0.928879 0.175760 O\n0.340623 0.353361 0.502008 O\n0.961508 0.163928 0.390793 O\n0.991026 0.669873 0.339449 O\n0.187916 0.168831 0.913528 O\n0.480649 0.124234 0.998243 O\n0.548203 0.327516 0.131904 O\n0.372791 0.376328 0.909423 O\n0.382829 0.616529 0.347571 O\n0.676263 0.455000 0.633703 O\n0.395940 0.524953 0.689105 O\n0.991076 0.131595 0.671144 O\n0.222964 0.094049 0.473757 O\n0.270425 0.180236 0.196111 O\n0.752499 0.936844 0.701110 O\n0.254999 0.855551 0.316772 O\n0.885281 0.666249 0.684949 O\n0.334878 0.891507 0.785790 O\n0.683977 0.645491 0.222739 O\n0.373225 0.146528 0.718336 O\n0.621793 0.475852 0.904604 O\n0.920603 0.430725 0.801327 O\n0.131814 0.624320 0.813943 O\n0.883374 0.422756 0.164924 O\n0.750271 0.141497 0.149050 O\n0.679151 0.387382 0.381701 O\n0.076630 0.372144 0.988869 O\n0.017914 0.883381 0.849953 O\n0.909930 0.426006 0.523413 O\n0.920496 0.145037 0.910768 O\n0.158529 0.616266 0.534492 O\n0.689996 0.752551 0.480974 O\n0.478100 0.888891 0.546924 O\n0.032445 0.026332 0.152529 O\n0.149248 0.375731 0.696559 O\n0.725795 0.868076 0.961609 O\n0.238132 0.945079 0.022021 O\n0.855345 0.640416 0.940340 O\n0.680782 0.198674 0.849276 O\n0.616873 0.696241 0.756975 O\n0.482753 0.119217 0.357935 O\n0.973208 0.911077 0.436724 O\n0.138126 0.642332 0.098488 O\n0.411983 0.635927 0.034773 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-O",
"density": 3.969683139540334,
"density_atomic": 0.07576515722772821,
"volume": 1055.8943309461245,
"volume_molar": 7.948430360804483,
"formula_full": "Cr8 Fe24 O48",
"formula_reduced": "Cr(FeO2)3",
"formula_anonymous": "AB3C6",
"energy": -641.10555459,
"energy_per_atom": -8.013819432375,
"energy_above_hull": null,
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"energy_uncorrected": -537.99355459,
"band_gap": 1.0932000000000002,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.187000Z",
"spacegroup": 1
},
{
"id": "mp-24578",
"created_at": "2022-09-04T14:46:40.875989Z",
"structure_string": "Mg2 H20 Se4 O20\n1.0\n3.823678 7.401245 0.000000\n-3.823678 7.401245 0.000000\n0.000000 6.859610 8.851969\nMg H Se O\n2 20 4 20\ndirect\n0.964627 0.035373 0.250000 Mg\n0.035373 0.964627 0.750000 Mg\n0.397521 0.256137 0.056205 H\n0.743863 0.602479 0.443795 H\n0.602479 0.743863 0.943795 H\n0.256137 0.397521 0.556205 H\n0.286320 0.257849 0.975896 H\n0.742151 0.713680 0.524104 H\n0.320073 0.561494 0.833315 H\n0.438506 0.679927 0.666685 H\n0.679927 0.438506 0.166685 H\n0.561494 0.320073 0.333315 H\n0.626648 0.248779 0.830804 H\n0.751221 0.373352 0.669196 H\n0.373352 0.751221 0.169196 H\n0.248779 0.626648 0.330804 H\n0.947668 0.411908 0.278412 H\n0.588092 0.052332 0.221588 H\n0.052332 0.588092 0.721588 H\n0.411908 0.947668 0.778412 H\n0.713680 0.742151 0.024104 H\n0.257849 0.286320 0.475896 H\n0.009427 0.265212 0.885202 Se\n0.734788 0.990573 0.614798 Se\n0.265212 0.009427 0.385202 Se\n0.990573 0.734788 0.114798 Se\n0.698180 0.301820 0.250000 O\n0.301820 0.698180 0.750000 O\n0.310771 0.382088 0.457435 O\n0.617912 0.689229 0.042565 O\n0.689229 0.617912 0.542565 O\n0.382088 0.310771 0.957435 O\n0.855918 0.565296 0.269980 O\n0.434704 0.144082 0.230020 O\n0.144082 0.434704 0.730020 O\n0.565296 0.855918 0.769980 O\n0.891458 0.821019 0.982178 O\n0.178981 0.108542 0.517822 O\n0.108542 0.178981 0.017822 O\n0.821019 0.891458 0.482178 O\n0.932780 0.842608 0.687544 O\n0.157392 0.067220 0.812456 O\n0.067220 0.157392 0.312456 O\n0.842608 0.932780 0.187544 O\n0.766677 0.233323 0.750000 O\n0.233323 0.766677 0.250000 O\n",
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"elements": [
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"H",
"Se",
"O"
],
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"density": 2.335252205588482,
"density_atomic": 0.09181250963141689,
"volume": 501.02105023234736,
"volume_molar": 6.5591723657004914,
"formula_full": "Mg2 H20 Se4 O20",
"formula_reduced": "MgH10(SeO5)2",
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"energy": -250.54706854,
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"updated_at": "2021-11-28T01:37:49.190000Z",
"spacegroup": 15
},
{
"id": "mp-1209504",
"created_at": "2022-09-04T14:47:00.556135Z",
"structure_string": "Rb4 Cr2 I4 Cl4\n1.0\n3.747215 -8.968273 0.000000\n3.747215 8.968273 0.000000\n0.000000 0.000000 7.493511\nRb Cr I Cl\n4 2 4 4\ndirect\n0.126388 0.873612 0.500000 Rb\n0.873612 0.126388 0.500000 Rb\n0.373612 0.626388 0.000000 Rb\n0.626388 0.373612 0.000000 Rb\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.344180 0.655820 0.500000 I\n0.655820 0.344180 0.500000 I\n0.155820 0.844180 0.000000 I\n0.844180 0.155820 0.000000 I\n0.728973 0.728973 0.728516 Cl\n0.271027 0.271027 0.271484 Cl\n0.771027 0.771027 0.228516 Cl\n0.228973 0.228973 0.771484 Cl\n",
"nsites": 14,
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"elements": [
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"Cr",
"I",
"Cl"
],
"chemical_system": "Cl-Cr-I-Rb",
"density": 3.6111601058958334,
"density_atomic": 0.027796829230033328,
"volume": 503.65456736603534,
"volume_molar": 21.664847850679767,
"formula_full": "Rb4 Cr2 I4 Cl4",
"formula_reduced": "Rb2Cr(ICl)2",
"formula_anonymous": "AB2C2D2",
"energy": -58.67338353,
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"updated_at": "2021-11-28T01:37:49.191000Z",
"spacegroup": 64
},
{
"id": "mp-771986",
"created_at": "2022-09-04T14:46:58.812282Z",
"structure_string": "Li4 Fe3 O8\n1.0\n10.320860 0.013304 0.008078\n8.672919 5.594750 0.008085\n13.833333 4.084397 2.495091\nLi Fe O\n4 3 8\ndirect\n0.000000 0.999989 0.000007 Li\n0.999999 0.500006 0.499995 Li\n0.499998 0.999988 0.500010 Li\n0.500017 0.500007 0.499985 Li\n0.999985 0.499997 0.000015 Fe\n0.499991 0.999993 0.000013 Fe\n0.499993 0.500007 0.999997 Fe\n0.000029 0.000031 0.248083 O\n0.000021 0.474238 0.281878 O\n0.474234 0.000015 0.281886 O\n0.999974 0.999973 0.751912 O\n0.525773 0.525772 0.230357 O\n0.999994 0.525766 0.718112 O\n0.525766 0.999991 0.718110 O\n0.474229 0.474229 0.769640 O\n",
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.7513411946586963,
"density_atomic": 0.10481678013785076,
"volume": 143.1068573206753,
"volume_molar": 5.745397590042287,
"formula_full": "Li4 Fe3 O8",
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"energy": -98.13032922,
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"updated_at": "2021-11-28T01:37:49.193000Z",
"spacegroup": 166
}
]
}