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{
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{
"id": "mp-1217537",
"created_at": "2022-09-04T14:42:17.273970Z",
"structure_string": "U6 Si19 Pt30\n1.0\n8.056417 -13.954124 0.000000\n8.056417 13.954124 0.000000\n0.000000 0.000000 4.000483\nU Si Pt\n6 19 30\ndirect\n0.098617 0.703463 0.248660 U\n0.604846 0.901383 0.248660 U\n0.296537 0.395154 0.248660 U\n0.901383 0.296537 0.751340 U\n0.395154 0.098617 0.751340 U\n0.703463 0.604846 0.751340 U\n0.373461 0.939070 0.250117 Si\n0.565609 0.626539 0.250117 Si\n0.060930 0.434391 0.250117 Si\n0.626539 0.060930 0.749883 Si\n0.434391 0.373461 0.749883 Si\n0.939070 0.565609 0.749883 Si\n0.681621 0.444521 0.250462 Si\n0.762900 0.318379 0.250462 Si\n0.555479 0.237100 0.250462 Si\n0.318379 0.555479 0.749538 Si\n0.237100 0.681621 0.749538 Si\n0.444521 0.762900 0.749538 Si\n0.864633 0.744499 0.251096 Si\n0.879866 0.135367 0.251096 Si\n0.255501 0.120134 0.251096 Si\n0.135367 0.255501 0.748904 Si\n0.120134 0.864633 0.748904 Si\n0.744499 0.879866 0.748904 Si\n0.000000 0.000000 0.500000 Si\n0.344205 0.774119 0.249858 Pt\n0.429913 0.655795 0.249858 Pt\n0.225881 0.570087 0.249858 Pt\n0.655795 0.225881 0.750142 Pt\n0.570087 0.344205 0.750142 Pt\n0.774119 0.429913 0.750142 Pt\n0.544708 0.468127 0.250272 Pt\n0.923418 0.455292 0.250272 Pt\n0.531873 0.076582 0.250272 Pt\n0.455292 0.531873 0.749728 Pt\n0.076582 0.544708 0.749728 Pt\n0.468127 0.923418 0.749728 Pt\n0.239167 0.962531 0.248116 Pt\n0.723365 0.760833 0.248116 Pt\n0.037469 0.276635 0.248116 Pt\n0.760833 0.037469 0.751884 Pt\n0.276635 0.239167 0.751884 Pt\n0.962531 0.723365 0.751884 Pt\n0.028459 0.876930 0.241920 Pt\n0.848471 0.971541 0.241920 Pt\n0.123070 0.151529 0.241920 Pt\n0.971541 0.123070 0.758080 Pt\n0.151529 0.028459 0.758080 Pt\n0.876930 0.848471 0.758080 Pt\n0.840472 0.585174 0.250948 Pt\n0.744702 0.159528 0.250948 Pt\n0.414826 0.255298 0.250948 Pt\n0.159528 0.414826 0.749052 Pt\n0.255298 0.840472 0.749052 Pt\n0.585174 0.744702 0.749052 Pt\n",
"nsites": 55,
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"elements": [
"U",
"Si",
"Pt"
],
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"volume": 899.4705324632561,
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"formula_full": "U6 Si19 Pt30",
"formula_reduced": "U6Si19Pt30",
"formula_anonymous": "A6B19C30",
"energy": -390.53910496,
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"updated_at": "2021-11-28T01:35:44.643000Z",
"spacegroup": 147
},
{
"id": "mp-762374",
"created_at": "2022-09-04T14:42:07.350970Z",
"structure_string": "Li4 La3 Nb12 O36\n1.0\n3.985291 8.959245 0.000000\n-3.985291 8.959245 0.000000\n0.000000 3.644236 10.706692\nLi La Nb O\n4 3 12 36\ndirect\n0.500000 0.500000 0.500000 Li\n0.833653 0.833653 0.832693 Li\n0.000000 0.000000 0.000000 Li\n0.166347 0.166347 0.167307 Li\n0.000000 0.000000 0.500000 La\n0.666755 0.666755 0.167731 La\n0.333245 0.333245 0.832269 La\n0.746945 0.249029 0.249497 Nb\n0.249029 0.746945 0.249497 Nb\n0.253055 0.750971 0.750503 Nb\n0.416269 0.913841 0.913641 Nb\n0.919560 0.419204 0.419304 Nb\n0.580796 0.080440 0.580696 Nb\n0.419204 0.919560 0.419304 Nb\n0.750971 0.253055 0.750503 Nb\n0.913841 0.416269 0.913641 Nb\n0.080440 0.580796 0.580696 Nb\n0.583731 0.086159 0.086359 Nb\n0.086159 0.583731 0.086359 Nb\n0.332706 0.833800 0.332460 O\n0.156720 0.156720 0.412338 O\n0.509336 0.509336 0.253365 O\n0.660354 0.660354 0.404403 O\n0.005450 0.005450 0.258149 O\n0.833800 0.332706 0.332460 O\n0.320161 0.831144 0.575021 O\n0.497808 0.986174 0.242274 O\n0.986174 0.497808 0.242274 O\n0.679839 0.168856 0.424979 O\n0.831144 0.320161 0.575021 O\n0.168856 0.679839 0.424979 O\n0.320658 0.839864 0.839503 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.839864 0.320658 0.839503 O\n0.994550 0.994550 0.741851 O\n0.490664 0.490664 0.746635 O\n0.166200 0.667294 0.667540 O\n0.339646 0.339646 0.595597 O\n0.667294 0.166200 0.667540 O\n0.843280 0.843280 0.587662 O\n0.502192 0.013826 0.757726 O\n0.657894 0.162084 0.910247 O\n0.837916 0.342106 0.089753 O\n0.162084 0.657894 0.910247 O\n0.013826 0.502192 0.757726 O\n0.342106 0.837916 0.089753 O\n0.679342 0.160136 0.160497 O\n0.160136 0.679342 0.160497 O\n0.327730 0.327730 0.071974 O\n0.825777 0.825777 0.078284 O\n0.500000 0.000000 0.000000 O\n0.174223 0.174223 0.921716 O\n0.000000 0.500000 0.000000 O\n0.672270 0.672270 0.928026 O\n",
"nsites": 55,
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"elements": [
"Li",
"La",
"Nb",
"O"
],
"chemical_system": "La-Li-Nb-O",
"density": 4.637654966388081,
"density_atomic": 0.07193594164767897,
"volume": 764.5691255335724,
"volume_molar": 8.371532535842332,
"formula_full": "Li4 La3 Nb12 O36",
"formula_reduced": "Li4La3Nb12O36",
"formula_anonymous": "A3B4C12D36",
"energy": -490.97145909000005,
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"updated_at": "2021-11-28T01:35:38.739000Z",
"spacegroup": 12
},
{
"id": "mp-26303",
"created_at": "2022-09-04T14:47:57.277378Z",
"structure_string": "Li6 Cu9 P8 O32\n1.0\n8.728102 0.000000 0.000000\n-2.243759 8.632796 0.000000\n-1.449384 -3.779891 8.116295\nLi Cu P O\n6 9 8 32\ndirect\n0.353539 0.090661 0.975574 Li\n0.646461 0.909339 0.024426 Li\n0.025439 0.724319 0.266014 Li\n0.320595 0.328864 0.356628 Li\n0.679405 0.671136 0.643372 Li\n0.974561 0.275681 0.733986 Li\n0.795833 0.273016 0.062359 Cu\n0.712585 0.876138 0.429090 Cu\n0.340327 0.695285 0.441673 Cu\n0.000000 0.500000 0.500000 Cu\n0.659673 0.304715 0.558327 Cu\n0.000000 0.000000 0.000000 Cu\n0.287415 0.123862 0.570910 Cu\n0.204167 0.726984 0.937641 Cu\n0.500000 0.500000 0.000000 Cu\n0.595184 0.052592 0.719353 P\n0.833149 0.624667 0.909415 P\n0.345813 0.566587 0.726553 P\n0.034141 0.884037 0.651321 P\n0.965859 0.115963 0.348679 P\n0.654187 0.433413 0.273447 P\n0.166851 0.375333 0.090585 P\n0.404816 0.947408 0.280647 P\n0.207524 0.210712 0.079862 O\n0.279290 0.816125 0.315573 O\n0.318834 0.954809 0.122416 O\n0.157095 0.173579 0.406135 O\n0.583750 0.255623 0.123259 O\n0.587819 0.565304 0.237373 O\n0.894526 0.933194 0.338166 O\n0.566247 0.910580 0.262876 O\n0.279716 0.477036 0.020289 O\n0.681166 0.045191 0.877584 O\n0.988177 0.323250 0.983442 O\n0.720284 0.522964 0.979711 O\n0.433753 0.089420 0.737124 O\n0.105474 0.066806 0.661834 O\n0.412181 0.434696 0.762627 O\n0.416250 0.744377 0.876741 O\n0.846924 0.478867 0.296289 O\n0.720710 0.183875 0.684427 O\n0.153076 0.521133 0.703711 O\n0.090815 0.890373 0.826619 O\n0.816168 0.524224 0.723202 O\n0.792476 0.789288 0.920138 O\n0.446373 0.126871 0.432144 O\n0.392747 0.569888 0.570451 O\n0.094704 0.748707 0.533329 O\n0.905296 0.251293 0.466671 O\n0.607253 0.430112 0.429549 O\n0.553627 0.873129 0.567856 O\n0.842905 0.826421 0.593865 O\n0.183832 0.475776 0.276798 O\n0.909185 0.109627 0.173381 O\n0.011823 0.676750 0.016558 O\n",
"nsites": 55,
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"elements": [
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"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.729023952649568,
"density_atomic": 0.08993600134817986,
"volume": 611.5459790909761,
"volume_molar": 6.6960290314506805,
"formula_full": "Li6 Cu9 P8 O32",
"formula_reduced": "Li6Cu9(PO4)8",
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"energy": -366.88418104,
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"updated_at": "2021-11-28T01:38:22.974000Z",
"spacegroup": 2
},
{
"id": "mp-1219934",
"created_at": "2022-09-04T14:47:56.175221Z",
"structure_string": "Rb3 Cr20 Te32\n1.0\n6.647310 6.003102 6.625141\n-6.640263 10.011436 -6.637662\n-6.619285 -6.014604 7.827064\nRb Cr Te\n3 20 32\ndirect\n0.619689 0.119635 0.499941 Rb\n0.875000 0.375000 0.500000 Rb\n0.130311 0.630365 0.500059 Rb\n0.944906 0.611440 0.963929 Cr\n0.694176 0.360888 0.963194 Cr\n0.444516 0.111051 0.961730 Cr\n0.195832 0.862054 0.963601 Cr\n0.055824 0.389112 0.036806 Cr\n0.805094 0.138560 0.036071 Cr\n0.554168 0.887946 0.036399 Cr\n0.305484 0.638949 0.038270 Cr\n0.243263 0.251095 0.661966 Cr\n0.992406 0.000634 0.661571 Cr\n0.742390 0.752355 0.662739 Cr\n0.493583 0.502383 0.662509 Cr\n0.757594 0.749366 0.338429 Cr\n0.506737 0.498905 0.338034 Cr\n0.256417 0.247617 0.337491 Cr\n0.007610 0.997645 0.337261 Cr\n0.750172 0.750126 0.000121 Cr\n0.500287 0.500348 0.000451 Cr\n0.249713 0.249652 0.999549 Cr\n0.999828 0.999874 0.999879 Cr\n0.005899 0.853043 0.761009 Te\n0.756074 0.602956 0.761014 Te\n0.505968 0.352846 0.761481 Te\n0.256039 0.103627 0.762453 Te\n0.993925 0.147043 0.238986 Te\n0.744100 0.896956 0.238991 Te\n0.493960 0.646374 0.237547 Te\n0.244031 0.397154 0.238519 Te\n0.766627 0.602096 0.435908 Te\n0.516248 0.351746 0.435560 Te\n0.266008 0.101037 0.434925 Te\n0.016740 0.851724 0.435108 Te\n0.233751 0.398253 0.564440 Te\n0.983372 0.147903 0.564092 Te\n0.733259 0.898275 0.564892 Te\n0.483991 0.648963 0.565075 Te\n0.232635 0.401516 0.902628 Te\n0.982340 0.151315 0.902161 Te\n0.732275 0.902137 0.902550 Te\n0.482332 0.652349 0.902864 Te\n0.767660 0.598685 0.097839 Te\n0.517365 0.348484 0.097372 Te\n0.267668 0.097651 0.097136 Te\n0.017725 0.847863 0.097450 Te\n0.121753 0.632414 0.841951 Te\n0.870919 0.381968 0.841351 Te\n0.621247 0.132195 0.841584 Te\n0.371795 0.882707 0.841875 Te\n0.879081 0.368032 0.158649 Te\n0.628247 0.117586 0.158049 Te\n0.378205 0.867293 0.158125 Te\n0.128753 0.617805 0.158416 Te\n",
"nsites": 55,
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"elements": [
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"Cr",
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],
"chemical_system": "Cr-Rb-Te",
"density": 5.819862689084054,
"density_atomic": 0.03583293385194627,
"volume": 1534.9008324924716,
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"formula_full": "Rb3 Cr20 Te32",
"formula_reduced": "Rb3(Cr5Te8)4",
"formula_anonymous": "A3B20C32",
"energy": -325.71032541,
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"updated_at": "2021-11-28T01:38:20.172000Z",
"spacegroup": 2
},
{
"id": "mp-542450",
"created_at": "2022-09-04T14:46:29.716657Z",
"structure_string": "Cs3 Mn4 P12 O36\n1.0\n5.089565 8.238834 0.000000\n-5.089565 8.238834 0.000000\n0.000000 7.604843 10.079514\nCs Mn P O\n3 4 12 36\ndirect\n0.000000 0.000000 0.500000 Cs\n0.784218 0.215782 0.000000 Cs\n0.215782 0.784218 0.000000 Cs\n0.208192 0.208192 0.588525 Mn\n0.791808 0.791808 0.411475 Mn\n0.749438 0.749438 0.927186 Mn\n0.250562 0.250562 0.072814 Mn\n0.834974 0.418745 0.199706 P\n0.581255 0.165026 0.800294 P\n0.165026 0.581255 0.800294 P\n0.418745 0.834974 0.199706 P\n0.606494 0.197833 0.371606 P\n0.802167 0.393506 0.628394 P\n0.393506 0.802167 0.628394 P\n0.197833 0.606494 0.371606 P\n0.333188 0.333188 0.273215 P\n0.666812 0.666812 0.726785 P\n0.762032 0.762032 0.175215 P\n0.237968 0.237968 0.824785 P\n0.680071 0.346564 0.328479 O\n0.653436 0.319929 0.671521 O\n0.319929 0.653436 0.671521 O\n0.346564 0.680071 0.328479 O\n0.994997 0.294038 0.209809 O\n0.705962 0.005003 0.790191 O\n0.005003 0.705962 0.790191 O\n0.294038 0.994997 0.209809 O\n0.813889 0.563832 0.239698 O\n0.436168 0.186111 0.760302 O\n0.186111 0.436168 0.760302 O\n0.563832 0.813889 0.239698 O\n0.800352 0.491347 0.075648 O\n0.508653 0.199648 0.924352 O\n0.199648 0.508653 0.924352 O\n0.491347 0.800352 0.075648 O\n0.750654 0.054689 0.344002 O\n0.945311 0.249346 0.655998 O\n0.249346 0.945311 0.655998 O\n0.054689 0.750654 0.344002 O\n0.473341 0.177601 0.506362 O\n0.822399 0.526659 0.493638 O\n0.526659 0.822399 0.493638 O\n0.177601 0.473341 0.506362 O\n0.524088 0.274519 0.260859 O\n0.725481 0.475912 0.739141 O\n0.475912 0.725481 0.739141 O\n0.274519 0.524088 0.260859 O\n0.338949 0.338949 0.150405 O\n0.661051 0.661051 0.849595 O\n0.230422 0.230422 0.407402 O\n0.769578 0.769578 0.592598 O\n0.825624 0.825624 0.225124 O\n0.174376 0.174376 0.774876 O\n0.822761 0.822761 0.026523 O\n0.177239 0.177239 0.973477 O\n",
"nsites": 55,
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"elements": [
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],
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"volume": 845.3099983480593,
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"formula_full": "Cs3 Mn4 P12 O36",
"formula_reduced": "Cs3Mn4(PO3)12",
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"energy": -426.43899802,
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},
{
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{
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}