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{
"id": "mp-1184869",
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{
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"structure_string": "Li3 V3 Cr3 P12 O42\n1.0\n7.164419 0.000000 0.000000\n0.013599 8.065050 0.000000\n1.714944 0.024953 13.547817\nLi V Cr P O\n3 3 3 12 42\ndirect\n0.158759 0.864405 0.166245 Li\n0.824180 0.864288 0.500627 Li\n0.838637 0.362183 0.833089 Li\n0.116072 0.494855 0.162442 V\n0.780733 0.495407 0.494583 V\n0.442949 0.507057 0.828814 V\n0.556544 0.006185 0.169819 Cr\n0.225107 0.005497 0.505120 Cr\n0.886739 0.997132 0.837738 Cr\n0.867747 0.781577 0.043297 P\n0.479769 0.677787 0.041770 P\n0.796070 0.281140 0.287704 P\n0.185439 0.179808 0.294577 P\n0.534681 0.782797 0.376061 P\n0.147340 0.679145 0.375372 P\n0.850395 0.180592 0.626941 P\n0.461813 0.282638 0.623141 P\n0.817333 0.682839 0.707101 P\n0.204452 0.783354 0.709921 P\n0.521821 0.176455 0.959497 P\n0.133494 0.281481 0.955197 P\n0.696875 0.646931 0.053415 O\n0.811726 0.934139 0.106218 O\n0.538708 0.180588 0.068591 O\n0.423167 0.847795 0.085017 O\n0.370576 0.538250 0.099099 O\n0.867499 0.435051 0.226661 O\n0.083764 0.330920 0.064418 O\n0.964778 0.147011 0.283212 O\n0.027716 0.687740 0.086123 O\n0.634353 0.189733 0.253875 O\n0.586952 0.823555 0.267969 O\n0.284291 0.042212 0.230703 O\n0.231861 0.352531 0.248764 O\n0.130370 0.677294 0.263374 O\n0.749420 0.333785 0.396964 O\n0.695646 0.688827 0.418097 O\n0.364200 0.647816 0.387020 O\n0.479104 0.934095 0.440257 O\n0.209743 0.178254 0.402112 O\n0.951086 0.041703 0.566035 O\n0.898545 0.352577 0.581567 O\n0.090643 0.848747 0.419853 O\n0.037403 0.538717 0.430716 O\n0.795608 0.674974 0.595758 O\n0.533872 0.434690 0.560412 O\n0.630952 0.147597 0.617440 O\n0.300318 0.190591 0.589435 O\n0.255809 0.824722 0.601703 O\n0.875335 0.182403 0.735978 O\n0.764720 0.852711 0.747406 O\n0.712157 0.540783 0.766461 O\n0.418488 0.338314 0.731814 O\n0.363319 0.682851 0.747813 O\n0.967787 0.196894 0.917284 O\n0.033409 0.645275 0.718456 O\n0.922330 0.818696 0.935003 O\n0.140334 0.932211 0.773214 O\n0.624452 0.038965 0.900510 O\n0.571897 0.348194 0.910626 O\n0.461439 0.667548 0.930699 O\n0.193692 0.436746 0.892691 O\n0.299372 0.148285 0.947970 O\n",
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"formula_full": "Li3 V3 Cr3 P12 O42",
"formula_reduced": "LiVCr(P2O7)2",
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"updated_at": "2021-11-28T01:37:19.659000Z",
"spacegroup": 1
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{
"id": "mp-769093",
"created_at": "2022-09-04T14:46:05.232977Z",
"structure_string": "Li6 Mn3 Ni1 P6 O24\n1.0\n8.498065 0.000000 0.000000\n4.019595 7.500935 0.000000\n3.986072 2.492965 7.175537\nLi Mn Ni P O\n6 3 1 6 24\ndirect\n0.986921 0.004527 0.999631 Li\n0.248584 0.652459 0.852535 Li\n0.522945 0.497993 0.494450 Li\n0.779847 0.339108 0.147899 Li\n0.333948 0.165386 0.779884 Li\n0.154608 0.777350 0.340112 Li\n0.855861 0.861396 0.859097 Mn\n0.640779 0.645476 0.637753 Mn\n0.359201 0.352359 0.349083 Mn\n0.145047 0.146899 0.147086 Ni\n0.949276 0.548841 0.253273 P\n0.555528 0.249058 0.941298 P\n0.254224 0.953062 0.542942 P\n0.749347 0.037991 0.459699 P\n0.451384 0.747311 0.033873 P\n0.035541 0.468094 0.755145 P\n0.862875 0.515495 0.705080 O\n0.687030 0.878035 0.494666 O\n0.946947 0.737205 0.087032 O\n0.468048 0.696520 0.873014 O\n0.759806 0.567667 0.416506 O\n0.967165 0.391195 0.200928 O\n0.748062 0.089418 0.919833 O\n0.557077 0.422811 0.753715 O\n0.418574 0.755937 0.561088 O\n0.799868 0.007395 0.621979 O\n0.910841 0.050202 0.271767 O\n0.622858 0.784255 0.000491 O\n0.393143 0.196521 0.967090 O\n0.110327 0.926778 0.739685 O\n0.195322 0.971372 0.390601 O\n0.591418 0.236846 0.430432 O\n0.426889 0.586362 0.230127 O\n0.263936 0.913033 0.052633 O\n0.020373 0.627796 0.806094 O\n0.227145 0.438461 0.601020 O\n0.530893 0.304092 0.098209 O\n0.042328 0.277820 0.919034 O\n0.312582 0.117227 0.503480 O\n0.113455 0.509243 0.312734 O\n",
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"formula_full": "Li6 Mn3 Ni1 P6 O24",
"formula_reduced": "Li6Mn3Ni(PO4)6",
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{
"id": "mp-1223702",
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"structure_string": "In1 Pd3\n1.0\n-1.505147 -1.502592 2.145668\n-1.505147 1.502592 -2.145668\n-1.505147 -6.592536 -5.702701\nIn Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.250902 0.503705 0.245392 Pd\n0.500000 0.000000 0.500000 Pd\n0.749098 0.496295 0.754608 Pd\n",
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},
{
"id": "mp-1226482",
"created_at": "2022-09-04T14:46:05.257543Z",
"structure_string": "Ce1 Zn4 Ni1\n1.0\n0.000000 0.000000 -4.302600\n-5.198260 -0.000102 0.000000\n-2.599042 4.500482 0.000000\nCe Zn Ni\n1 4 1\ndirect\n0.000000 0.999987 0.000009 Ce\n0.000000 0.666597 0.666725 Zn\n0.500000 0.495922 0.495923 Zn\n0.500000 0.495914 0.008166 Zn\n0.500000 0.008146 0.495925 Zn\n0.000000 0.333334 0.333352 Ni\n",
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{
"id": "mp-782647",
"created_at": "2022-09-04T14:46:05.269145Z",
"structure_string": "Li8 Mn4 P12 O40\n1.0\n8.060542 0.000000 0.000000\n0.000000 9.950990 0.000000\n0.000000 0.794207 11.823673\nLi Mn P O\n8 4 12 40\ndirect\n0.542484 0.606674 0.143257 Li\n0.957516 0.106674 0.143257 Li\n0.893875 0.092635 0.439773 Li\n0.606125 0.592635 0.439773 Li\n0.393875 0.407365 0.560227 Li\n0.106125 0.907365 0.560227 Li\n0.042484 0.893326 0.856743 Li\n0.457516 0.393326 0.856743 Li\n0.137597 0.367882 0.168236 Mn\n0.362403 0.867882 0.168236 Mn\n0.637597 0.132118 0.831764 Mn\n0.862403 0.632118 0.831764 Mn\n0.424880 0.193949 0.060263 P\n0.075120 0.693949 0.060263 P\n0.568868 0.090363 0.271545 P\n0.931132 0.590363 0.271545 P\n0.212386 0.063938 0.335342 P\n0.287614 0.563938 0.335342 P\n0.712386 0.436062 0.664658 P\n0.787614 0.936062 0.664658 P\n0.068868 0.409637 0.728455 P\n0.431132 0.909637 0.728455 P\n0.924880 0.306051 0.939737 P\n0.575120 0.806051 0.939737 P\n0.330070 0.063572 0.070911 O\n0.005526 0.273428 0.056279 O\n0.334719 0.324817 0.083852 O\n0.169930 0.563572 0.070911 O\n0.494474 0.773428 0.056279 O\n0.165281 0.824817 0.083852 O\n0.575288 0.184920 0.154092 O\n0.924712 0.684920 0.154092 O\n0.106395 0.154604 0.254961 O\n0.941967 0.443653 0.239853 O\n0.266991 0.420046 0.295454 O\n0.393605 0.654604 0.254961 O\n0.558033 0.943653 0.239853 O\n0.233009 0.920046 0.295454 O\n0.400382 0.130594 0.333948 O\n0.716964 0.126655 0.336836 O\n0.099618 0.630594 0.333948 O\n0.783036 0.626655 0.336836 O\n0.145532 0.058947 0.454451 O\n0.354468 0.558947 0.454451 O\n0.645532 0.441053 0.545549 O\n0.854468 0.941053 0.545549 O\n0.216964 0.373345 0.663164 O\n0.900382 0.369406 0.666052 O\n0.283036 0.873345 0.663164 O\n0.599618 0.869406 0.666052 O\n0.766991 0.079954 0.704546 O\n0.441967 0.056347 0.760147 O\n0.606395 0.345396 0.745039 O\n0.733009 0.579954 0.704546 O\n0.058033 0.556347 0.760147 O\n0.893605 0.845396 0.745039 O\n0.075288 0.315080 0.845908 O\n0.424712 0.815080 0.845908 O\n0.834719 0.175183 0.916148 O\n0.505526 0.226572 0.943721 O\n0.830070 0.436428 0.929088 O\n0.665281 0.675183 0.916148 O\n0.994474 0.726572 0.943721 O\n0.669930 0.936428 0.929088 O\n",
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"formula_full": "Li8 Mn4 P12 O40",
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{
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"structure_string": "V4 O5 F7\n1.0\n5.158358 0.000000 0.000000\n2.558213 4.715314 0.000000\n2.459885 1.595671 8.555056\nV O F\n4 5 7\ndirect\n0.790575 0.731765 0.742001 V\n0.534049 0.508958 0.490595 V\n0.232403 0.251398 0.237201 V\n0.989897 0.988140 0.995089 V\n0.840138 0.840428 0.918976 O\n0.820432 0.418403 0.338796 O\n0.150630 0.587219 0.662015 O\n0.168958 0.167415 0.088508 O\n0.651045 0.656615 0.585566 O\n0.328270 0.334908 0.417222 F\n0.339304 0.924350 0.831441 F\n0.774844 0.383051 0.883109 F\n0.702772 0.131904 0.623581 F\n0.277281 0.872868 0.378072 F\n0.225609 0.625838 0.128144 F\n0.673794 0.076738 0.179684 F\n",
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"formula_full": "V4 O5 F7",
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{
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"structure_string": "Ho1 Al8 Ni3\n1.0\n-3.943194 0.000000 0.000000\n0.000000 0.000000 -6.661304\n-1.971597 -7.355864 0.000000\nHo Al Ni\n1 8 3\ndirect\n0.125228 0.750000 0.749543 Ho\n0.925508 0.750000 0.148985 Al\n0.064570 0.250000 0.870860 Al\n0.495245 0.484327 0.009511 Al\n0.495245 0.015673 0.009511 Al\n0.320108 0.538981 0.359783 Al\n0.690512 0.442541 0.618977 Al\n0.320108 0.961019 0.359783 Al\n0.690512 0.057459 0.618977 Al\n0.769392 0.750000 0.461217 Ni\n0.226242 0.250000 0.547516 Ni\n0.877331 0.250000 0.245338 Ni\n",
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{
"id": "mp-859086",
"created_at": "2022-09-04T14:46:05.256387Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.396923 0.000000 0.000000\n0.000000 6.307371 0.000000\n0.000000 0.000000 9.057796\nLi Mn P O\n4 4 4 16\ndirect\n0.250000 0.182842 0.994713 Li\n0.750000 0.317158 0.494713 Li\n0.250000 0.682842 0.505287 Li\n0.750000 0.817158 0.005287 Li\n0.750000 0.984147 0.712879 Mn\n0.250000 0.515853 0.212879 Mn\n0.750000 0.484147 0.787121 Mn\n0.250000 0.015853 0.287121 Mn\n0.250000 0.218016 0.590354 P\n0.750000 0.281984 0.090354 P\n0.250000 0.718016 0.909646 P\n0.750000 0.781984 0.409646 P\n0.250000 0.988480 0.531162 O\n0.750000 0.125074 0.958534 O\n0.988973 0.245087 0.185166 O\n0.511027 0.245087 0.185166 O\n0.011027 0.254913 0.685166 O\n0.488973 0.254913 0.685166 O\n0.250000 0.374926 0.458534 O\n0.750000 0.511520 0.031162 O\n0.250000 0.488480 0.968838 O\n0.750000 0.625074 0.541466 O\n0.511027 0.745087 0.314834 O\n0.988973 0.745087 0.314834 O\n0.011027 0.754913 0.814834 O\n0.488973 0.754913 0.814834 O\n0.250000 0.874926 0.041466 O\n0.750000 0.011520 0.468838 O\n",
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