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{
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"results": [
{
"id": "mp-28198",
"created_at": "2022-09-04T14:39:25.204782Z",
"structure_string": "Rb6 In6 I24\n1.0\n8.105396 -12.767653 0.000000\n8.105396 12.767653 0.000000\n-12.006261 0.000000 9.195657\nRb In I\n6 6 24\ndirect\n0.876422 0.688616 0.092834 Rb\n0.092834 0.876422 0.688616 Rb\n0.688616 0.092834 0.876422 Rb\n0.188616 0.376422 0.592834 Rb\n0.592834 0.188616 0.376422 Rb\n0.376422 0.592834 0.188616 Rb\n0.863328 0.075163 0.681250 In\n0.681250 0.863328 0.075163 In\n0.075163 0.681250 0.863328 In\n0.575163 0.363328 0.181250 In\n0.181250 0.575163 0.363328 In\n0.363328 0.181250 0.575163 In\n0.963127 0.114984 0.909653 I\n0.909653 0.963127 0.114984 I\n0.114984 0.909653 0.963127 I\n0.614984 0.463127 0.409653 I\n0.409653 0.614984 0.463127 I\n0.463127 0.409653 0.614984 I\n0.073747 0.329353 0.782193 I\n0.782193 0.073747 0.329353 I\n0.329353 0.782193 0.073747 I\n0.829353 0.573747 0.282193 I\n0.282193 0.829353 0.573747 I\n0.573747 0.282193 0.829353 I\n0.616472 0.008100 0.550690 I\n0.550690 0.616472 0.008100 I\n0.008100 0.550690 0.616472 I\n0.508100 0.116472 0.050690 I\n0.050690 0.508100 0.116472 I\n0.116472 0.050690 0.508100 I\n0.792564 0.846160 0.475743 I\n0.475743 0.792564 0.846160 I\n0.846160 0.475743 0.792564 I\n0.346160 0.292564 0.975743 I\n0.975743 0.346160 0.292564 I\n0.292564 0.975743 0.346160 I\n",
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"updated_at": "2021-11-28T01:34:24.979000Z",
"spacegroup": 161
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{
"id": "mp-772925",
"created_at": "2022-09-04T14:39:25.190957Z",
"structure_string": "Li8 Ti10 O24\n1.0\n5.288158 0.000000 0.000000\n1.832920 9.354051 0.000000\n2.057781 2.535116 9.379717\nLi Ti O\n8 10 24\ndirect\n0.132125 0.408060 0.404374 Li\n0.338455 0.576808 0.110930 Li\n0.273272 0.907074 0.022621 Li\n0.310334 0.769983 0.555790 Li\n0.689666 0.230017 0.444210 Li\n0.726728 0.092926 0.977379 Li\n0.661545 0.423192 0.889070 Li\n0.867875 0.591940 0.595626 Li\n0.273124 0.099414 0.275403 Ti\n0.176821 0.099182 0.674995 Ti\n0.188259 0.259028 0.932125 Ti\n0.137048 0.594236 0.850612 Ti\n0.433059 0.412336 0.646008 Ti\n0.566941 0.587664 0.353992 Ti\n0.862952 0.405764 0.149388 Ti\n0.811741 0.740972 0.067875 Ti\n0.823179 0.900818 0.325005 Ti\n0.726876 0.900586 0.724597 Ti\n0.046681 0.263045 0.303118 O\n0.235921 0.422775 0.010869 O\n0.343400 0.102405 0.087990 O\n0.104177 0.101743 0.861548 O\n0.058584 0.425700 0.778540 O\n0.120165 0.930420 0.377743 O\n0.322454 0.261832 0.567568 O\n0.262461 0.566973 0.485938 O\n0.584650 0.068924 0.342798 O\n0.161116 0.727342 0.951914 O\n0.542761 0.425260 0.270943 O\n0.474011 0.728834 0.186139 O\n0.525989 0.271166 0.813861 O\n0.457239 0.574740 0.729057 O\n0.838884 0.272658 0.048086 O\n0.415350 0.931076 0.657202 O\n0.737539 0.433027 0.514062 O\n0.677546 0.738168 0.432432 O\n0.879835 0.069580 0.622257 O\n0.941416 0.574300 0.221460 O\n0.895823 0.898257 0.138452 O\n0.656600 0.897595 0.912010 O\n0.764079 0.577225 0.989131 O\n0.953319 0.736955 0.696882 O\n",
"nsites": 42,
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"elements": [
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"Ti",
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"density": 3.2861299803419572,
"density_atomic": 0.09052226229838933,
"volume": 463.9742637181893,
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"formula_full": "Li8 Ti10 O24",
"formula_reduced": "Li4Ti5O12",
"formula_anonymous": "A4B5C12",
"energy": -346.67216201,
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"updated_at": "2021-11-28T01:34:24.428000Z",
"spacegroup": 2
},
{
"id": "mp-1227215",
"created_at": "2022-09-04T14:39:25.192389Z",
"structure_string": "Cd2 Pt18 O24\n1.0\n5.735619 0.000000 0.000000\n0.000000 5.753097 0.000000\n0.000000 0.000000 17.159288\nCd Pt O\n2 18 24\ndirect\n0.500000 0.500000 0.332306 Cd\n0.500000 0.500000 0.667694 Cd\n0.500000 0.000000 0.418576 Pt\n0.500000 0.000000 0.754083 Pt\n0.500000 0.000000 0.082739 Pt\n0.752366 0.500000 0.162260 Pt\n0.757564 0.500000 0.500000 Pt\n0.752366 0.500000 0.837740 Pt\n0.000000 0.756975 0.331474 Pt\n0.000000 0.756975 0.668526 Pt\n0.000000 0.753565 0.000000 Pt\n0.500000 0.000000 0.245917 Pt\n0.500000 0.000000 0.581424 Pt\n0.500000 0.000000 0.917261 Pt\n0.247634 0.500000 0.162260 Pt\n0.242436 0.500000 0.500000 Pt\n0.247634 0.500000 0.837740 Pt\n0.000000 0.243025 0.331474 Pt\n0.000000 0.243025 0.668526 Pt\n0.000000 0.246435 0.000000 Pt\n0.741894 0.741485 0.413201 O\n0.739960 0.739632 0.749416 O\n0.750248 0.752655 0.081755 O\n0.260040 0.260368 0.250584 O\n0.258106 0.258515 0.586799 O\n0.249752 0.247345 0.918245 O\n0.260040 0.739632 0.250584 O\n0.258106 0.741485 0.586799 O\n0.249752 0.752655 0.918245 O\n0.741894 0.258515 0.413201 O\n0.739960 0.260368 0.749416 O\n0.750248 0.247345 0.081755 O\n0.258106 0.258515 0.413201 O\n0.260040 0.260368 0.749416 O\n0.249752 0.247345 0.081755 O\n0.739960 0.739632 0.250584 O\n0.741894 0.741485 0.586799 O\n0.750248 0.752655 0.918245 O\n0.739960 0.260368 0.250584 O\n0.741894 0.258515 0.586799 O\n0.750248 0.247345 0.918245 O\n0.258106 0.741485 0.413201 O\n0.260040 0.739632 0.749416 O\n0.249752 0.752655 0.081755 O\n",
"nsites": 44,
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"elements": [
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"Pt",
"O"
],
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"density": 12.083666955435307,
"density_atomic": 0.07770901816501188,
"volume": 566.2148491770649,
"volume_molar": 7.749603459423762,
"formula_full": "Cd2 Pt18 O24",
"formula_reduced": "Cd(Pt3O4)3",
"formula_anonymous": "AB9C12",
"energy": -267.81311395,
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"updated_at": "2021-11-28T01:34:41.966000Z",
"spacegroup": 47
},
{
"id": "mp-1214227",
"created_at": "2022-09-04T14:39:25.204271Z",
"structure_string": "Ca4 La6 Si6 O26\n1.0\n4.873970 -8.441963 0.000000\n4.873970 8.441963 0.000000\n0.000000 0.000000 7.136032\nCa La Si O\n4 6 6 26\ndirect\n0.333333 0.666667 0.003389 Ca\n0.666667 0.333333 0.996611 Ca\n0.666667 0.333333 0.503389 Ca\n0.333333 0.666667 0.496611 Ca\n0.759920 0.748255 0.750000 La\n0.240080 0.251745 0.250000 La\n0.988335 0.240080 0.750000 La\n0.011665 0.759920 0.250000 La\n0.251745 0.011665 0.750000 La\n0.748255 0.988335 0.250000 La\n0.597671 0.969680 0.750000 Si\n0.402329 0.030320 0.250000 Si\n0.372009 0.402329 0.750000 Si\n0.627991 0.597671 0.250000 Si\n0.030320 0.627991 0.750000 Si\n0.969680 0.372009 0.250000 Si\n0.403092 0.871016 0.750000 O\n0.596908 0.128984 0.250000 O\n0.467924 0.596908 0.750000 O\n0.532076 0.403092 0.250000 O\n0.128984 0.532076 0.750000 O\n0.871016 0.467924 0.250000 O\n0.660711 0.910613 0.931716 O\n0.339289 0.089387 0.068284 O\n0.249902 0.339289 0.931716 O\n0.339289 0.089387 0.431716 O\n0.750098 0.660711 0.068284 O\n0.660711 0.910613 0.568284 O\n0.089387 0.750098 0.931716 O\n0.750098 0.660711 0.431716 O\n0.910613 0.249902 0.068284 O\n0.249902 0.339289 0.568284 O\n0.910613 0.249902 0.431716 O\n0.089387 0.750098 0.568284 O\n0.838252 0.512157 0.750000 O\n0.161748 0.487843 0.250000 O\n0.673904 0.161748 0.750000 O\n0.326096 0.838252 0.250000 O\n0.487843 0.326096 0.750000 O\n0.512157 0.673904 0.250000 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
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],
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"volume": 587.2365528171478,
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"formula_full": "Ca4 La6 Si6 O26",
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{
"id": "mp-1233734",
"created_at": "2022-09-04T14:39:25.207485Z",
"structure_string": "Ca1 V8 O8 F8\n1.0\n-5.023053 0.162866 -0.009798\n-0.178841 4.817110 -9.408563\n0.147614 -4.804592 -3.131559\nCa V O F\n1 8 8 8\ndirect\n0.507817 0.373755 0.372677 Ca\n0.500004 0.243518 0.803475 V\n0.506710 0.998125 0.496427 V\n0.518505 0.742110 0.240808 V\n0.533442 0.531475 0.934567 V\n0.991391 0.223125 0.266961 V\n0.030416 0.774195 0.722401 V\n0.013932 0.508479 0.493712 V\n0.004634 0.994376 0.999910 V\n0.822805 0.061831 0.268457 O\n0.690752 0.826022 0.513674 O\n0.671537 0.570121 0.264321 O\n0.704244 0.323987 0.062096 O\n0.354313 0.438362 0.710194 O\n0.331876 0.693314 0.944241 O\n0.336462 0.175016 0.463233 O\n0.185496 0.937970 0.721512 O\n0.859279 0.592307 0.773381 F\n0.876180 0.308793 0.572874 F\n0.829270 0.820526 0.021925 F\n0.689990 0.061285 0.793744 F\n0.321152 0.925330 0.206759 F\n0.193487 0.690750 0.440435 F\n0.172331 0.168097 0.975752 F\n0.131754 0.423381 0.198368 F\n",
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{
"id": "mp-1202421",
"created_at": "2022-09-04T14:39:25.229694Z",
"structure_string": "Nd12 Cd2 Fe26\n1.0\n8.037930 0.000000 0.000000\n0.000000 8.037930 0.000000\n-4.018964 -4.018964 11.538284\nNd Cd Fe\n12 2 26\ndirect\n0.976525 0.476525 0.628275 Nd\n0.651750 0.151750 0.628275 Nd\n0.151750 0.976525 0.628275 Nd\n0.476525 0.651750 0.628275 Nd\n0.023475 0.523475 0.371725 Nd\n0.348250 0.848250 0.371725 Nd\n0.848250 0.023475 0.371725 Nd\n0.523475 0.348250 0.371725 Nd\n0.605238 0.605238 0.210476 Nd\n0.105238 0.105238 0.210476 Nd\n0.394762 0.394762 0.789524 Nd\n0.894762 0.894762 0.789524 Nd\n0.250000 0.250000 0.500000 Cd\n0.750000 0.750000 0.500000 Cd\n0.119303 0.619303 0.881919 Fe\n0.762615 0.262615 0.881919 Fe\n0.262615 0.119303 0.881919 Fe\n0.619303 0.762615 0.881919 Fe\n0.880697 0.380697 0.118081 Fe\n0.237385 0.737385 0.118081 Fe\n0.737385 0.880697 0.118081 Fe\n0.380697 0.237385 0.118081 Fe\n0.711337 0.566988 0.000000 Fe\n0.288663 0.433012 0.000000 Fe\n0.788663 0.066988 0.000000 Fe\n0.211337 0.933012 0.000000 Fe\n0.566988 0.288663 0.000000 Fe\n0.433012 0.711337 0.000000 Fe\n0.066988 0.211337 0.000000 Fe\n0.933012 0.788663 0.000000 Fe\n0.291066 0.791066 0.809892 Fe\n0.518827 0.018827 0.809892 Fe\n0.018827 0.291066 0.809892 Fe\n0.791066 0.518827 0.809892 Fe\n0.708934 0.208934 0.190108 Fe\n0.481173 0.981173 0.190108 Fe\n0.981173 0.708934 0.190108 Fe\n0.208934 0.481173 0.190108 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n",
"nsites": 40,
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"elements": [
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],
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"density": 7.59067291894797,
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"volume": 745.4691297488826,
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"formula_full": "Nd12 Cd2 Fe26",
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"formula_anonymous": "AB6C13",
"energy": -280.05507256,
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{
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