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{
"id": "mp-1111732",
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{
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"updated_at": "2021-11-28T01:37:26.006000Z",
"spacegroup": 14
},
{
"id": "mp-1113500",
"created_at": "2022-09-04T14:41:26.117604Z",
"structure_string": "Rb2 Eu1 Au1 Cl6\n1.0\n7.662151 0.000000 0.000000\n3.831076 6.635618 0.000000\n3.831076 2.211873 6.256120\nRb Eu Au Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Au\n0.253067 0.746933 0.253067 Cl\n0.746933 0.746933 0.253067 Cl\n0.746933 0.253067 0.746933 Cl\n0.746933 0.253067 0.253067 Cl\n0.253067 0.746933 0.746933 Cl\n0.253067 0.253067 0.746933 Cl\n",
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"elements": [
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],
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"density_atomic": 0.03143857454789786,
"volume": 318.08057915490474,
"volume_molar": 19.155260206931583,
"formula_full": "Rb2 Eu1 Au1 Cl6",
"formula_reduced": "Rb2EuAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -45.82750813,
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"updated_at": "2021-11-28T01:35:20.890000Z",
"spacegroup": 225
},
{
"id": "mp-1113297",
"created_at": "2022-09-04T14:48:09.765480Z",
"structure_string": "Rb2 Eu1 Cu1 Cl6\n1.0\n0.000000 5.251019 5.251019\n5.251019 0.000000 5.251019\n5.251019 5.251019 0.000000\nRb Eu Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Cu\n0.738103 0.261897 0.261897 Cl\n0.261897 0.261897 0.738103 Cl\n0.261897 0.738103 0.738103 Cl\n0.261897 0.738103 0.261897 Cl\n0.738103 0.261897 0.738103 Cl\n0.738103 0.738103 0.261897 Cl\n",
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"elements": [
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],
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"volume": 289.57479983548774,
"volume_molar": 17.43860205158132,
"formula_full": "Rb2 Eu1 Cu1 Cl6",
"formula_reduced": "Rb2EuCuCl6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1219610",
"created_at": "2022-09-04T14:46:57.685777Z",
"structure_string": "Rb2 Eu2 Ge2 S8\n1.0\n6.644542 0.000000 0.000000\n0.000000 6.800926 0.000000\n0.000000 2.953860 8.813404\nRb Eu Ge S\n2 2 2 8\ndirect\n0.750425 0.232116 0.563855 Rb\n0.250425 0.767884 0.436145 Rb\n0.766549 0.265971 0.052476 Eu\n0.266549 0.734029 0.947524 Eu\n0.736150 0.720163 0.172989 Ge\n0.236150 0.279837 0.827011 Ge\n0.745842 0.909037 0.325837 S\n0.245842 0.090963 0.674163 S\n0.491899 0.481307 0.217437 S\n0.991899 0.518693 0.782563 S\n0.501633 0.491334 0.797030 S\n0.001633 0.508666 0.202970 S\n0.684401 0.924754 0.936157 S\n0.184401 0.075246 0.063843 S\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Eu-Ge-Rb-S",
"density": 3.6551507505098315,
"density_atomic": 0.035152098543472475,
"volume": 398.26925219517835,
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"formula_full": "Rb2 Eu2 Ge2 S8",
"formula_reduced": "RbEuGeS4",
"formula_anonymous": "ABCD4",
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},
{
"id": "mp-1209361",
"created_at": "2022-09-04T14:41:01.426537Z",
"structure_string": "Rb2 Eu2 Mo4 O16\n1.0\n5.341736 5.472545 0.000000\n-5.341736 5.472545 0.000000\n0.000000 5.173409 5.930663\nRb Eu Mo O\n2 2 4 16\ndirect\n0.199587 0.800413 0.750000 Rb\n0.800413 0.199587 0.250000 Rb\n0.769552 0.230448 0.750000 Eu\n0.230448 0.769552 0.250000 Eu\n0.694399 0.696474 0.761490 Mo\n0.305601 0.303526 0.238510 Mo\n0.303526 0.305601 0.738510 Mo\n0.696474 0.694399 0.261490 Mo\n0.616043 0.764374 0.562576 O\n0.383957 0.235626 0.437424 O\n0.235626 0.383957 0.937424 O\n0.764374 0.616043 0.062576 O\n0.383081 0.072343 0.869549 O\n0.616919 0.927657 0.130451 O\n0.927657 0.616919 0.630451 O\n0.072343 0.383081 0.369549 O\n0.581252 0.369590 0.973782 O\n0.418748 0.630410 0.026218 O\n0.630410 0.418748 0.526218 O\n0.369590 0.581252 0.473782 O\n0.792997 0.947792 0.690985 O\n0.207003 0.052208 0.309015 O\n0.052208 0.207003 0.809015 O\n0.947792 0.792997 0.190985 O\n",
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"elements": [
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],
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"volume": 346.7408457810894,
"volume_molar": 8.700509085563219,
"formula_full": "Rb2 Eu2 Mo4 O16",
"formula_reduced": "RbEu(MoO4)2",
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{
"id": "mp-1019728",
"created_at": "2022-09-04T14:43:50.524547Z",
"structure_string": "Rb4 Eu4 P16 O48\n1.0\n9.150816 0.000000 0.000000\n0.000000 10.659663 0.000000\n0.000000 7.436155 10.718962\nRb Eu P O\n4 4 16 48\ndirect\n0.434271 0.757900 0.041450 Rb\n0.065729 0.757900 0.541450 Rb\n0.565729 0.242100 0.958550 Rb\n0.934271 0.242100 0.458550 Rb\n0.726255 0.683925 0.315851 Eu\n0.773745 0.683925 0.815851 Eu\n0.273745 0.316075 0.684149 Eu\n0.226255 0.316075 0.184149 Eu\n0.327074 0.679748 0.360339 P\n0.172926 0.679748 0.860339 P\n0.672926 0.320252 0.639661 P\n0.827074 0.320252 0.139661 P\n0.528419 0.027231 0.723620 P\n0.971581 0.027231 0.223620 P\n0.471581 0.972769 0.276380 P\n0.028419 0.972769 0.776380 P\n0.896759 0.800962 0.021659 P\n0.603241 0.800962 0.521659 P\n0.103241 0.199038 0.978341 P\n0.396759 0.199038 0.478341 P\n0.094091 0.615518 0.240400 P\n0.405909 0.615518 0.740400 P\n0.905909 0.384482 0.759600 P\n0.594091 0.384482 0.259600 P\n0.595109 0.871320 0.802729 O\n0.904891 0.871320 0.302729 O\n0.404891 0.128680 0.197271 O\n0.095109 0.128680 0.697271 O\n0.458676 0.043431 0.601636 O\n0.041324 0.043431 0.101636 O\n0.541324 0.956569 0.398364 O\n0.958676 0.956569 0.898364 O\n0.418102 0.068520 0.785495 O\n0.081898 0.068520 0.285495 O\n0.581898 0.931480 0.214505 O\n0.918102 0.931480 0.714505 O\n0.466352 0.638040 0.325806 O\n0.033648 0.638040 0.825806 O\n0.533648 0.361960 0.674194 O\n0.966352 0.361960 0.174194 O\n0.658250 0.699149 0.484960 O\n0.841750 0.699149 0.984960 O\n0.341750 0.300851 0.515040 O\n0.158250 0.300851 0.015040 O\n0.793141 0.837032 0.090880 O\n0.706859 0.837032 0.590880 O\n0.206859 0.162968 0.909120 O\n0.293141 0.162968 0.409120 O\n0.741211 0.423722 0.513871 O\n0.758789 0.423722 0.013871 O\n0.258789 0.576278 0.486129 O\n0.241211 0.576278 0.986129 O\n0.208118 0.724212 0.251460 O\n0.291882 0.724212 0.751460 O\n0.791882 0.275788 0.748540 O\n0.708118 0.275788 0.248540 O\n0.050295 0.736159 0.096193 O\n0.449705 0.736159 0.596193 O\n0.949705 0.263841 0.903807 O\n0.550295 0.263841 0.403807 O\n0.676675 0.514209 0.246393 O\n0.823325 0.514209 0.746393 O\n0.323325 0.485791 0.753607 O\n0.176675 0.485791 0.253607 O\n0.964436 0.578600 0.323635 O\n0.535564 0.578600 0.823635 O\n0.035564 0.421400 0.676365 O\n0.464436 0.421400 0.176365 O\n0.658572 0.153811 0.662956 O\n0.841428 0.153811 0.162956 O\n0.341428 0.846189 0.337044 O\n0.158572 0.846189 0.837044 O\n",
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"formula_full": "Rb4 Eu4 P16 O48",
"formula_reduced": "RbEu(PO3)4",
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"energy": -570.07026743,
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"updated_at": "2021-11-28T01:36:21.743000Z",
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},
{
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"created_at": "2022-09-04T14:40:23.660075Z",
"structure_string": "Rb4 Eu4 P4 O16\n1.0\n5.529720 0.000000 0.000000\n0.000000 7.709945 0.000000\n0.000000 0.000000 10.428698\nRb Eu P O\n4 4 4 16\ndirect\n0.250000 0.142292 0.430740 Rb\n0.250000 0.642292 0.069260 Rb\n0.750000 0.857708 0.569260 Rb\n0.750000 0.357708 0.930740 Rb\n0.250000 0.034131 0.826345 Eu\n0.750000 0.965869 0.173655 Eu\n0.250000 0.534131 0.673655 Eu\n0.750000 0.465869 0.326345 Eu\n0.250000 0.702826 0.393144 P\n0.750000 0.297174 0.606856 P\n0.750000 0.797174 0.893144 P\n0.250000 0.202826 0.106856 P\n0.250000 0.293363 0.972748 O\n0.750000 0.706637 0.027252 O\n0.250000 0.793363 0.527252 O\n0.750000 0.206637 0.472748 O\n0.250000 0.002860 0.082607 O\n0.750000 0.997140 0.917393 O\n0.250000 0.502860 0.417393 O\n0.750000 0.497140 0.582607 O\n0.483093 0.752788 0.317050 O\n0.983093 0.247212 0.682950 O\n0.016907 0.252788 0.182950 O\n0.516907 0.747212 0.817050 O\n0.483093 0.252788 0.182950 O\n0.983093 0.747212 0.817050 O\n0.016907 0.752788 0.317050 O\n0.516907 0.247212 0.682950 O\n",
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"formula_full": "Rb4 Eu4 P4 O16",
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},
{
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"structure_string": "Rb2 Eu2 S4 O16\n1.0\n2.751558 6.904290 0.000000\n-2.751558 6.904290 0.000000\n0.000000 2.102512 9.493319\nRb Eu S O\n2 2 4 16\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.178420 0.821580 0.750000 Eu\n0.821580 0.178420 0.250000 Eu\n0.649558 0.175200 0.612635 S\n0.175200 0.649558 0.112635 S\n0.350442 0.824800 0.387365 S\n0.824800 0.350442 0.887365 S\n0.786239 0.175349 0.907812 O\n0.609551 0.603458 0.316851 O\n0.390449 0.396542 0.683149 O\n0.159020 0.607202 0.973729 O\n0.840980 0.392798 0.026271 O\n0.922337 0.787129 0.201682 O\n0.077663 0.212871 0.798318 O\n0.213761 0.824651 0.092188 O\n0.175349 0.786239 0.407812 O\n0.787129 0.922337 0.701682 O\n0.212871 0.077663 0.298318 O\n0.607202 0.159020 0.473729 O\n0.603458 0.609551 0.816851 O\n0.396542 0.390449 0.183149 O\n0.824651 0.213761 0.592188 O\n0.392798 0.840980 0.526271 O\n",
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{
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"structure_string": "Rb4 Eu4 Si4 S16\n1.0\n6.491549 0.000000 0.000000\n0.000000 6.670607 0.000000\n0.000000 0.000000 17.243307\nRb Eu Si S\n4 4 4 16\ndirect\n0.015051 0.995330 0.967112 Rb\n0.515051 0.504670 0.032888 Rb\n0.484949 0.004670 0.467112 Rb\n0.984949 0.495330 0.532888 Rb\n0.708753 0.519971 0.773880 Eu\n0.791247 0.480029 0.273880 Eu\n0.291247 0.019971 0.726120 Eu\n0.208753 0.980029 0.226120 Eu\n0.789811 0.987933 0.662643 Si\n0.710189 0.012067 0.162643 Si\n0.210189 0.487933 0.837357 Si\n0.289811 0.512067 0.337357 Si\n0.924444 0.246447 0.140507 S\n0.605667 0.248375 0.647228 S\n0.545957 0.508944 0.411544 S\n0.382587 0.555870 0.220547 S\n0.894333 0.751625 0.147228 S\n0.424444 0.253553 0.859493 S\n0.117413 0.444130 0.720547 S\n0.394333 0.748375 0.852772 S\n0.075556 0.746447 0.359493 S\n0.882587 0.944130 0.779453 S\n0.954043 0.491056 0.911544 S\n0.617413 0.055870 0.279453 S\n0.575556 0.753553 0.640507 S\n0.105667 0.251625 0.352772 S\n0.454043 0.008944 0.088456 S\n0.045957 0.991056 0.588456 S\n",
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"elements": [
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],
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"density": 3.5028820242727026,
"density_atomic": 0.03749935315264164,
"volume": 746.6795463384557,
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"formula_full": "Rb4 Eu4 Si4 S16",
"formula_reduced": "RbEuSiS4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:35:10.968000Z",
"spacegroup": 19
},
{
"id": "mp-1209558",
"created_at": "2022-09-04T14:48:14.149596Z",
"structure_string": "Rb2 Eu2 W4 O16\n1.0\n5.436030 5.478668 0.000000\n-5.436030 5.478668 0.000000\n0.000000 4.836758 5.809714\nRb Eu W O\n2 2 4 16\ndirect\n0.199896 0.800104 0.750000 Rb\n0.800104 0.199896 0.250000 Rb\n0.774181 0.225819 0.750000 Eu\n0.225819 0.774181 0.250000 Eu\n0.698297 0.688070 0.778777 W\n0.301703 0.311930 0.221223 W\n0.311930 0.301703 0.721223 W\n0.688070 0.698297 0.278777 W\n0.621460 0.752548 0.559081 O\n0.378540 0.247452 0.440919 O\n0.247452 0.378540 0.940919 O\n0.752548 0.621460 0.059081 O\n0.380640 0.068684 0.866786 O\n0.619360 0.931316 0.133214 O\n0.931316 0.619360 0.633214 O\n0.068684 0.380640 0.366786 O\n0.584769 0.371257 0.972044 O\n0.415231 0.628743 0.027956 O\n0.628743 0.415231 0.527956 O\n0.371257 0.584769 0.472044 O\n0.787994 0.948505 0.690299 O\n0.212006 0.051495 0.309701 O\n0.051495 0.212006 0.809701 O\n0.948505 0.787994 0.190299 O\n",
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"elements": [
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"W",
"O"
],
"chemical_system": "Eu-O-Rb-W",
"density": 7.035660615690166,
"density_atomic": 0.06935370457286567,
"volume": 346.05217050496094,
"volume_molar": 8.68322867118498,
"formula_full": "Rb2 Eu2 W4 O16",
"formula_reduced": "RbEu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -212.96406098,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -184.22006098,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:46.729000Z",
"spacegroup": 15
},
{
"id": "mp-1209325",
"created_at": "2022-09-04T14:47:04.816679Z",
"structure_string": "Rb4 Fe4 Ag4 F24\n1.0\n7.468221 0.000000 0.000000\n0.000000 7.722487 0.000000\n0.000000 0.000000 10.647894\nRb Fe Ag F\n4 4 4 24\ndirect\n0.016660 0.250000 0.634225 Rb\n0.983340 0.750000 0.365775 Rb\n0.483340 0.750000 0.134225 Rb\n0.516660 0.250000 0.865775 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.210853 0.250000 0.252359 Ag\n0.789147 0.750000 0.747641 Ag\n0.289147 0.750000 0.752359 Ag\n0.710853 0.250000 0.247641 Ag\n0.283329 0.037533 0.403890 F\n0.716671 0.962467 0.596110 F\n0.216671 0.962467 0.903890 F\n0.716671 0.537533 0.596110 F\n0.783329 0.037533 0.096110 F\n0.283329 0.462467 0.403890 F\n0.783329 0.462467 0.096110 F\n0.216671 0.537533 0.903890 F\n0.552428 0.250000 0.508113 F\n0.447572 0.750000 0.491887 F\n0.947572 0.750000 0.008113 F\n0.052428 0.250000 0.991887 F\n0.141947 0.516213 0.155661 F\n0.858053 0.483787 0.844339 F\n0.358053 0.483787 0.655661 F\n0.858053 0.016213 0.844339 F\n0.641947 0.516213 0.344339 F\n0.141947 0.983787 0.155661 F\n0.641947 0.983787 0.344339 F\n0.358053 0.016213 0.655661 F\n0.459703 0.250000 0.168060 F\n0.540297 0.750000 0.831940 F\n0.040297 0.750000 0.668060 F\n0.959703 0.250000 0.331940 F\n",
"nsites": 36,
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"elements": [
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"Fe",
"Ag",
"F"
],
"chemical_system": "Ag-F-Fe-Rb",
"density": 3.9281013613297904,
"density_atomic": 0.05862251341249112,
"volume": 614.0985417443603,
"volume_molar": 10.272744052486873,
"formula_full": "Rb4 Fe4 Ag4 F24",
"formula_reduced": "RbFeAgF6",
"formula_anonymous": "ABCD6",
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"updated_at": "2021-11-28T01:37:48.575000Z",
"spacegroup": 62
}
]
}