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{
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"results": [
{
"id": "mp-1106295",
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"structure_string": "Rb2 Gd4 Cu4 S9\n1.0\n0.000000 -4.081577 0.000000\n-7.032428 -2.040789 0.000000\n-1.610248 -2.040789 -15.228511\nRb Gd Cu S\n2 4 4 9\ndirect\n0.972662 0.284916 0.769760 Rb\n0.027338 0.715084 0.230240 Rb\n0.766950 0.862506 0.603593 Gd\n0.233050 0.137494 0.396407 Gd\n0.346344 0.253540 0.053773 Gd\n0.653656 0.746460 0.946227 Gd\n0.751055 0.269615 0.228274 Cu\n0.248945 0.730385 0.771726 Cu\n0.566263 0.326439 0.541036 Cu\n0.433738 0.673561 0.458964 Cu\n0.858851 0.856260 0.426038 S\n0.141149 0.143740 0.573962 S\n0.705233 0.488428 0.101106 S\n0.294767 0.511572 0.898894 S\n0.608408 0.406643 0.376541 S\n0.391592 0.593357 0.623459 S\n0.342006 0.093631 0.222357 S\n0.657994 0.906369 0.777643 S\n0.000000 0.000000 0.000000 S\n",
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"updated_at": "2021-11-28T01:36:35.068000Z",
"spacegroup": 12
},
{
"id": "mp-574448",
"created_at": "2022-09-04T14:40:02.941589Z",
"structure_string": "Rb2 Gd4 Cu2 Se8\n1.0\n2.090876 -7.227420 0.000000\n2.090876 7.227420 0.000000\n0.000000 0.000000 14.515040\nRb Gd Cu Se\n2 4 2 8\ndirect\n0.890511 0.109489 0.750000 Rb\n0.109489 0.890511 0.250000 Rb\n0.365882 0.634118 0.062800 Gd\n0.634118 0.365882 0.562800 Gd\n0.634118 0.365882 0.937200 Gd\n0.365882 0.634118 0.437200 Gd\n0.162904 0.837096 0.750000 Cu\n0.837096 0.162904 0.250000 Cu\n0.428379 0.571621 0.250000 Se\n0.738243 0.261757 0.110493 Se\n0.261757 0.738243 0.610493 Se\n0.000000 0.000000 0.000000 Se\n0.261757 0.738243 0.889507 Se\n0.738243 0.261757 0.389507 Se\n0.000000 0.000000 0.500000 Se\n0.571621 0.428379 0.750000 Se\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.90002629201242,
"density_atomic": 0.036472050388902534,
"volume": 438.69208967939926,
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"formula_full": "Rb2 Gd4 Cu2 Se8",
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"formula_anonymous": "ABC2D4",
"energy": -122.46627278,
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"updated_at": "2021-11-28T01:34:48.069000Z",
"spacegroup": 63
},
{
"id": "mp-1219815",
"created_at": "2022-09-04T14:42:49.264338Z",
"structure_string": "Rb5 Gd1 Mo4 O16\n1.0\n-3.137382 -5.434106 0.000000\n6.353356 -3.668112 7.156044\n-3.286687 1.897570 7.280105\nRb Gd Mo O\n5 1 4 16\ndirect\n0.500000 0.293784 0.132630 Rb\n0.000000 0.816540 0.609359 Rb\n0.500000 0.706216 0.867370 Rb\n0.000000 0.183460 0.390641 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Gd\n0.000000 0.601448 0.223094 Mo\n0.500000 0.111681 0.699981 Mo\n0.000000 0.398552 0.776906 Mo\n0.500000 0.888319 0.300019 Mo\n0.500000 0.160158 0.891479 O\n0.000000 0.727753 0.327920 O\n0.500000 0.839842 0.108521 O\n0.000000 0.272247 0.672080 O\n0.243266 0.500474 0.289001 O\n0.728345 0.009284 0.695179 O\n0.756734 0.500474 0.289001 O\n0.271655 0.009284 0.695179 O\n0.000000 0.682428 0.999285 O\n0.500000 0.269861 0.518474 O\n0.756734 0.499526 0.710999 O\n0.271655 0.990716 0.304821 O\n0.243266 0.499526 0.710999 O\n0.728345 0.990716 0.304821 O\n0.000000 0.317572 0.000715 O\n0.500000 0.730139 0.481526 O\n",
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],
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"formula_full": "Rb5 Gd1 Mo4 O16",
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"energy": -202.49475761,
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"updated_at": "2021-11-28T01:35:54.600000Z",
"spacegroup": 10
},
{
"id": "mp-1209311",
"created_at": "2022-09-04T14:44:15.002817Z",
"structure_string": "Rb2 Gd2 Mo4 O16\n1.0\n5.302112 5.437315 0.000000\n-5.302112 5.437315 0.000000\n0.000000 5.132052 5.887846\nRb Gd Mo O\n2 2 4 16\ndirect\n0.199102 0.800898 0.750000 Rb\n0.800898 0.199102 0.250000 Rb\n0.770538 0.229462 0.750000 Gd\n0.229462 0.770538 0.250000 Gd\n0.694475 0.696070 0.762639 Mo\n0.305525 0.303930 0.237361 Mo\n0.303930 0.305525 0.737361 Mo\n0.696070 0.694475 0.262639 Mo\n0.615698 0.764501 0.562374 O\n0.384302 0.235499 0.437626 O\n0.235499 0.384302 0.937626 O\n0.764501 0.615698 0.062374 O\n0.383301 0.070315 0.872693 O\n0.616699 0.929685 0.127307 O\n0.929685 0.616699 0.627307 O\n0.070315 0.383301 0.372693 O\n0.583544 0.368315 0.971466 O\n0.416456 0.631685 0.028534 O\n0.631685 0.416456 0.528534 O\n0.368315 0.583544 0.471466 O\n0.792583 0.949733 0.692148 O\n0.207417 0.050267 0.307852 O\n0.050267 0.207417 0.807852 O\n0.949733 0.792583 0.192148 O\n",
"nsites": 24,
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"elements": [
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"Mo",
"O"
],
"chemical_system": "Gd-Mo-O-Rb",
"density": 5.503685240161628,
"density_atomic": 0.07069544177003606,
"volume": 339.4844052049236,
"volume_molar": 8.518428641537193,
"formula_full": "Rb2 Gd2 Mo4 O16",
"formula_reduced": "RbGd(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -212.89687103,
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"updated_at": "2021-11-28T01:36:31.070000Z",
"spacegroup": 15
},
{
"id": "mp-1209393",
"created_at": "2022-09-04T14:46:52.721728Z",
"structure_string": "Rb4 Gd4 Mo8 O32\n1.0\n5.194322 0.000000 0.000000\n0.000000 8.297295 0.000000\n0.000000 0.000000 18.944083\nRb Gd Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.769420 Rb\n0.000000 0.250000 0.230580 Rb\n0.500000 0.250000 0.730580 Rb\n0.500000 0.750000 0.269420 Rb\n0.000000 0.750000 0.006669 Gd\n0.000000 0.250000 0.993331 Gd\n0.500000 0.250000 0.493331 Gd\n0.500000 0.750000 0.506669 Gd\n0.022942 0.515785 0.400216 Mo\n0.977058 0.484215 0.599784 Mo\n0.477058 0.015785 0.099784 Mo\n0.977058 0.984215 0.400216 Mo\n0.522942 0.984215 0.900216 Mo\n0.022942 0.015785 0.599784 Mo\n0.522942 0.484215 0.099784 Mo\n0.477058 0.515785 0.900216 Mo\n0.098521 0.974715 0.314048 O\n0.901479 0.025285 0.685952 O\n0.401479 0.474715 0.185952 O\n0.901479 0.525285 0.314048 O\n0.598521 0.525285 0.814048 O\n0.098521 0.474715 0.685952 O\n0.598521 0.025285 0.185952 O\n0.401479 0.974715 0.814048 O\n0.270725 0.841408 0.098031 O\n0.729275 0.158592 0.901969 O\n0.229275 0.341408 0.401969 O\n0.729275 0.658592 0.098031 O\n0.770725 0.658592 0.598031 O\n0.270725 0.341408 0.901969 O\n0.770725 0.158592 0.401969 O\n0.229275 0.841408 0.598031 O\n0.250384 0.503914 0.036233 O\n0.749616 0.496086 0.963767 O\n0.249616 0.003914 0.463767 O\n0.749616 0.996086 0.036233 O\n0.750384 0.996086 0.536233 O\n0.250384 0.003914 0.963767 O\n0.750384 0.496086 0.463767 O\n0.249616 0.503914 0.536233 O\n0.239340 0.686824 0.410367 O\n0.760660 0.313176 0.589633 O\n0.260660 0.186824 0.089633 O\n0.760660 0.813176 0.410367 O\n0.739340 0.813176 0.910367 O\n0.239340 0.186824 0.589633 O\n0.739340 0.313176 0.089633 O\n0.260660 0.686824 0.910367 O\n",
"nsites": 48,
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"elements": [
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],
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"density": 4.57682625002266,
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"volume_molar": 10.243506618492717,
"formula_full": "Rb4 Gd4 Mo8 O32",
"formula_reduced": "RbGd(MoO4)2",
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"energy": -427.0041839500001,
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"spacegroup": 60
},
{
"id": "mp-561138",
"created_at": "2022-09-04T14:48:07.855222Z",
"structure_string": "Rb4 Gd4 P16 O48\n1.0\n9.051604 0.000000 0.000000\n0.000000 10.518244 0.000000\n0.000000 7.373308 10.666218\nRb Gd P O\n4 4 16 48\ndirect\n0.932314 0.236576 0.958197 Rb\n0.567686 0.236576 0.458197 Rb\n0.067686 0.763424 0.041803 Rb\n0.432314 0.763424 0.541803 Rb\n0.226819 0.315769 0.683137 Gd\n0.726819 0.684231 0.816863 Gd\n0.773181 0.684231 0.316863 Gd\n0.273181 0.315769 0.183137 Gd\n0.107392 0.198583 0.477497 P\n0.607392 0.801417 0.022503 P\n0.892608 0.801417 0.522503 P\n0.592771 0.387026 0.759042 P\n0.907229 0.387026 0.259042 P\n0.407229 0.612974 0.240958 P\n0.327805 0.677146 0.862664 P\n0.827805 0.322854 0.637336 P\n0.973769 0.026031 0.722627 P\n0.172195 0.677146 0.362664 P\n0.392608 0.198583 0.977497 P\n0.473769 0.973969 0.777373 P\n0.526231 0.026031 0.222627 P\n0.092771 0.612974 0.740958 P\n0.672195 0.322854 0.137336 P\n0.026231 0.973969 0.277373 P\n0.790042 0.837437 0.593702 O\n0.454846 0.040118 0.101274 O\n0.915743 0.929959 0.215889 O\n0.792232 0.277537 0.246653 O\n0.842384 0.154375 0.660420 O\n0.045154 0.040118 0.601274 O\n0.207768 0.722463 0.753347 O\n0.548610 0.265193 0.903766 O\n0.954846 0.959882 0.398726 O\n0.657616 0.154375 0.160420 O\n0.451390 0.734807 0.096234 O\n0.241561 0.573038 0.489194 O\n0.084257 0.070041 0.784111 O\n0.258439 0.573038 0.989194 O\n0.677264 0.517876 0.745908 O\n0.837121 0.700949 0.483058 O\n0.415743 0.070041 0.284111 O\n0.162879 0.299051 0.516942 O\n0.741561 0.426962 0.010806 O\n0.662879 0.700949 0.983058 O\n0.758439 0.426962 0.510806 O\n0.290042 0.162563 0.906298 O\n0.538705 0.575864 0.324179 O\n0.707768 0.277537 0.746653 O\n0.594109 0.868559 0.302651 O\n0.209958 0.162563 0.406298 O\n0.292232 0.722463 0.253347 O\n0.038705 0.424136 0.175821 O\n0.048610 0.734807 0.596234 O\n0.968719 0.365501 0.671438 O\n0.961295 0.575864 0.824179 O\n0.031281 0.634499 0.328562 O\n0.157616 0.845625 0.339580 O\n0.094109 0.131441 0.197349 O\n0.531281 0.365501 0.171438 O\n0.905891 0.868559 0.802651 O\n0.337121 0.299051 0.016942 O\n0.405891 0.131441 0.697349 O\n0.342384 0.845625 0.839580 O\n0.951390 0.265193 0.403766 O\n0.177264 0.482124 0.754092 O\n0.822736 0.517876 0.245908 O\n0.461295 0.424136 0.675821 O\n0.584257 0.929959 0.715889 O\n0.322736 0.482124 0.254092 O\n0.709958 0.837437 0.093702 O\n0.468719 0.634499 0.828562 O\n0.545154 0.959882 0.898726 O\n",
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],
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"volume_molar": 8.493714298304965,
"formula_full": "Rb4 Gd4 P16 O48",
"formula_reduced": "RbGd(PO3)4",
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"energy": -593.96958555,
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"updated_at": "2021-11-28T01:38:30.181000Z",
"spacegroup": 14
},
{
"id": "mp-1211017",
"created_at": "2022-09-04T14:43:20.844726Z",
"structure_string": "Rb4 Gd4 S8 O36\n1.0\n0.000000 8.610912 0.000000\n9.470167 0.000000 -5.459900\n-9.000912 0.000000 -5.009686\nRb Gd S O\n4 4 8 36\ndirect\n0.331074 0.681684 0.960807 Rb\n0.668926 0.318316 0.039193 Rb\n0.831074 0.818316 0.539193 Rb\n0.168926 0.181684 0.460807 Rb\n0.365159 0.973443 0.719366 Gd\n0.634841 0.026557 0.280634 Gd\n0.865159 0.526557 0.780634 Gd\n0.134841 0.473443 0.219366 Gd\n0.132796 0.314827 0.873330 S\n0.867204 0.685173 0.126670 S\n0.632796 0.185173 0.626670 S\n0.367204 0.814827 0.373330 S\n0.193141 0.615257 0.600443 S\n0.806859 0.384743 0.399557 S\n0.693141 0.884743 0.899557 S\n0.306859 0.115257 0.100443 S\n0.788706 0.017571 0.977798 O\n0.211294 0.982429 0.022202 O\n0.288706 0.482429 0.522202 O\n0.711294 0.517571 0.477798 O\n0.205749 0.176561 0.764781 O\n0.794251 0.823439 0.235219 O\n0.705749 0.323439 0.735219 O\n0.294251 0.676561 0.264781 O\n0.297761 0.742608 0.683515 O\n0.702239 0.257392 0.316485 O\n0.797761 0.757392 0.816485 O\n0.202239 0.242608 0.183515 O\n0.401518 0.129062 0.988260 O\n0.598482 0.870938 0.011740 O\n0.901518 0.370938 0.511740 O\n0.098482 0.629062 0.488260 O\n0.123115 0.933877 0.781691 O\n0.876885 0.066123 0.218308 O\n0.623115 0.566123 0.718309 O\n0.376885 0.433877 0.281691 O\n0.252019 0.418666 0.980611 O\n0.747981 0.581334 0.019389 O\n0.752019 0.081334 0.519389 O\n0.247981 0.918666 0.480611 O\n0.014919 0.302269 0.972048 O\n0.985081 0.697731 0.027952 O\n0.514919 0.197731 0.527952 O\n0.485081 0.802269 0.472048 O\n0.060951 0.372600 0.783976 O\n0.939049 0.627400 0.216024 O\n0.560951 0.127400 0.716024 O\n0.439049 0.872600 0.283976 O\n0.595439 0.891527 0.784978 O\n0.404561 0.108473 0.215022 O\n0.095439 0.608473 0.715022 O\n0.904561 0.391527 0.284978 O\n",
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"formula_full": "Rb4 Gd4 S8 O36",
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},
{
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}