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{
"id": "mp-11037",
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"structure_string": "Lu1 Al8 Fe4\n1.0\n-4.326901 4.326901 2.506573\n4.326901 -4.326901 2.506573\n4.326901 4.326901 -2.506573\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.339167 0.339167 Al\n0.280644 0.500000 0.780644 Al\n0.500000 0.280644 0.780644 Al\n0.500000 0.719356 0.219356 Al\n0.719356 0.500000 0.219356 Al\n0.000000 0.660833 0.660833 Al\n0.339167 0.000000 0.339167 Al\n0.660833 0.000000 0.660833 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n",
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{
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{
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"elements": [
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"formula_full": "La4 Ta8 N4 O20",
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{
"id": "mp-23716",
"created_at": "2022-09-04T14:39:05.883125Z",
"structure_string": "Ca4 Mn2 As4 H8 O20\n1.0\n13.167344 0.000000 0.000000\n0.000000 5.791706 0.000000\n0.000000 1.852983 5.658882\nCa Mn As H O\n4 2 4 8 20\ndirect\n0.880003 0.758395 0.568744 Ca\n0.380003 0.741605 0.431256 Ca\n0.119997 0.241605 0.431256 Ca\n0.619997 0.258395 0.568744 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.877852 0.428746 0.223936 As\n0.377852 0.071254 0.776064 As\n0.122148 0.571254 0.776064 As\n0.622148 0.928746 0.223936 As\n0.710422 0.498585 0.893928 H\n0.210422 0.001415 0.106072 H\n0.289578 0.501415 0.106072 H\n0.789578 0.998585 0.893928 H\n0.655921 0.694922 0.683819 H\n0.155921 0.805078 0.316181 H\n0.344079 0.305078 0.316181 H\n0.844079 0.194922 0.683819 H\n0.643100 0.531659 0.803721 O\n0.143100 0.968341 0.196279 O\n0.961881 0.651260 0.247290 O\n0.461881 0.848740 0.752710 O\n0.038119 0.348740 0.752710 O\n0.538119 0.151260 0.247290 O\n0.945739 0.158248 0.288269 O\n0.445739 0.341752 0.711731 O\n0.054261 0.841752 0.711731 O\n0.554261 0.658248 0.288269 O\n0.825242 0.502098 0.949804 O\n0.325242 0.997902 0.050196 O\n0.174758 0.497902 0.050196 O\n0.674758 0.002098 0.949804 O\n0.793426 0.417376 0.450186 O\n0.293426 0.082624 0.549814 O\n0.206574 0.582624 0.549814 O\n0.706574 0.917376 0.450186 O\n0.856900 0.031659 0.803721 O\n0.356900 0.468341 0.196279 O\n",
"nsites": 38,
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"elements": [
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"volume": 431.55418027986195,
"volume_molar": 6.839157945294065,
"formula_full": "Ca4 Mn2 As4 H8 O20",
"formula_reduced": "Ca2MnAs2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -250.86050088,
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},
{
"id": "mp-755387",
"created_at": "2022-09-04T14:39:05.883816Z",
"structure_string": "Li8 Cr6 Co2 O16\n1.0\n-2.937919 5.112844 -0.004996\n4.448056 5.983383 4.847608\n4.426569 -0.835243 -4.852473\nLi Cr Co O\n8 6 2 16\ndirect\n0.006869 0.498982 0.491567 Li\n0.498126 0.001358 0.998103 Li\n0.493151 0.500976 0.508409 Li\n0.001908 0.998612 0.001873 Li\n0.746070 0.750087 0.750573 Li\n0.247400 0.252057 0.250332 Li\n0.753955 0.249879 0.249428 Li\n0.252679 0.747907 0.749671 Li\n0.250109 0.499981 0.000108 Cr\n0.750225 0.000066 0.500250 Cr\n0.497253 0.251195 0.749478 Cr\n0.002803 0.748706 0.250548 Cr\n0.998235 0.250227 0.750603 Cr\n0.501441 0.749781 0.249153 Cr\n0.249965 0.999995 0.499958 Co\n0.749999 0.500009 0.999987 Co\n0.360374 0.258472 0.983716 O\n0.862579 0.758569 0.483805 O\n0.139625 0.741556 0.016293 O\n0.637433 0.241431 0.516227 O\n0.858121 0.258679 0.983631 O\n0.366221 0.754407 0.483170 O\n0.641789 0.741331 0.016318 O\n0.133673 0.245616 0.516778 O\n0.376674 0.490880 0.759119 O\n0.889215 0.991574 0.265717 O\n0.881952 0.492424 0.775849 O\n0.387662 0.991215 0.264039 O\n0.123322 0.509142 0.240873 O\n0.610781 0.008469 0.734305 O\n0.618078 0.507592 0.224160 O\n0.112318 0.008821 0.735962 O\n",
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{
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"structure_string": "Th2 Ge4\n1.0\n2.035486 -8.298651 0.000000\n2.035486 8.298651 0.000000\n0.000000 0.000000 4.200411\nTh Ge\n2 4\ndirect\n0.861235 0.138765 0.000000 Th\n0.138765 0.861235 0.000000 Th\n0.700705 0.299295 0.500000 Ge\n0.299295 0.700705 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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{
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"structure_string": "Na4 Ti6 O14\n1.0\n3.820460 0.000000 0.000000\n0.000000 8.661788 0.000000\n0.000000 1.879951 9.046931\nNa Ti O\n4 6 14\ndirect\n0.750000 0.499606 0.842429 Na\n0.250000 0.500394 0.157571 Na\n0.750000 0.682081 0.408746 Na\n0.250000 0.317919 0.591254 Na\n0.750000 0.031346 0.720680 Ti\n0.250000 0.968654 0.279320 Ti\n0.750000 0.247935 0.325032 Ti\n0.250000 0.752065 0.674968 Ti\n0.750000 0.146733 0.015460 Ti\n0.250000 0.853267 0.984540 Ti\n0.750000 0.915056 0.956046 O\n0.250000 0.084944 0.043954 O\n0.750000 0.805019 0.682109 O\n0.250000 0.194981 0.317891 O\n0.750000 0.014140 0.246930 O\n0.250000 0.985860 0.753070 O\n0.750000 0.324069 0.091560 O\n0.250000 0.675931 0.908440 O\n0.750000 0.443195 0.345728 O\n0.250000 0.556805 0.654272 O\n0.250000 0.781413 0.186746 O\n0.750000 0.218587 0.813254 O\n0.250000 0.849179 0.461305 O\n0.750000 0.150821 0.538695 O\n",
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{
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"structure_string": "Na2 Mo6 P6 O32\n1.0\n6.501861 0.000000 0.000000\n0.951252 7.726336 0.000000\n2.437509 1.973745 12.621334\nNa Mo P O\n2 6 6 32\ndirect\n0.599067 0.337721 0.328970 Na\n0.400933 0.662279 0.671030 Na\n0.203059 0.216284 0.539943 Mo\n0.796941 0.783716 0.460057 Mo\n0.403718 0.756981 0.163400 Mo\n0.596282 0.243019 0.836600 Mo\n0.058713 0.206479 0.144238 Mo\n0.941287 0.793521 0.855762 Mo\n0.573109 0.164561 0.101783 P\n0.426891 0.835439 0.898217 P\n0.307812 0.854908 0.421965 P\n0.692188 0.145092 0.578035 P\n0.064334 0.483646 0.316130 P\n0.935666 0.516354 0.683870 P\n0.195801 0.049001 0.644260 O\n0.804199 0.950999 0.355740 O\n0.897935 0.223279 0.521878 O\n0.102065 0.776721 0.478122 O\n0.518604 0.254985 0.520505 O\n0.481396 0.745015 0.479495 O\n0.299620 0.051453 0.428159 O\n0.700380 0.948547 0.571841 O\n0.135457 0.425026 0.622689 O\n0.864543 0.574974 0.377311 O\n0.225190 0.406371 0.388516 O\n0.774810 0.593629 0.611484 O\n0.086361 0.310845 0.017070 O\n0.913639 0.689155 0.982930 O\n0.980726 0.333766 0.271742 O\n0.019274 0.666234 0.728258 O\n0.741639 0.200687 0.165046 O\n0.258361 0.799313 0.834954 O\n0.131130 0.983018 0.137825 O\n0.868870 0.016982 0.862175 O\n0.357860 0.238362 0.161288 O\n0.642140 0.761638 0.838712 O\n0.600130 0.595232 0.184282 O\n0.399870 0.404768 0.815718 O\n0.377407 0.736379 0.011664 O\n0.622593 0.263621 0.988336 O\n0.159445 0.608449 0.217589 O\n0.840555 0.391551 0.782411 O\n0.356620 0.841227 0.303724 O\n0.643380 0.158773 0.696276 O\n0.575901 0.966725 0.102581 O\n0.424099 0.033275 0.897419 O\n",
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{
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