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{
"id": "mp-1282190",
"created_at": "2022-09-04T14:39:38.382829Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n-4.017997 3.995080 0.000381\n-4.018919 -3.995907 0.000391\n-4.021054 -0.000712 8.029261\nSr V Mo O\n4 2 2 12\ndirect\n0.384978 0.884908 0.230157 Sr\n0.884710 0.384830 0.230246 Sr\n0.115093 0.615180 0.769923 Sr\n0.615042 0.115074 0.769919 Sr\n0.500180 0.500234 0.999542 V\n0.000272 0.000218 0.999534 V\n0.250024 0.250044 0.499971 Mo\n0.749979 0.749939 0.500076 Mo\n0.375751 0.375457 0.248899 O\n0.875811 0.875323 0.248605 O\n0.124331 0.124383 0.751649 O\n0.623975 0.624435 0.751325 O\n0.762793 0.236870 0.000239 O\n0.236906 0.762774 0.000328 O\n0.250455 0.250279 0.999984 O\n0.749582 0.749823 0.999793 O\n0.510019 0.990054 0.499816 O\n0.990359 0.510327 0.499497 O\n0.000297 0.000060 0.500323 O\n0.499443 0.499786 0.500173 O\n",
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{
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"created_at": "2022-09-04T14:41:59.607847Z",
"structure_string": "Ti1 Fe5 P6 O24\n1.0\n8.470447 -0.121552 -0.085796\n4.309674 -7.500659 0.000000\n4.309674 -2.512219 -7.067435\nTi Fe P O\n1 5 6 24\ndirect\n0.571046 0.142984 0.142984 Ti\n0.003938 0.998687 0.998687 Fe\n0.060176 0.646608 0.646608 Fe\n0.502553 0.499149 0.499149 Fe\n0.432629 0.855790 0.855790 Fe\n0.938963 0.353679 0.353679 Fe\n0.251162 0.251455 0.544526 P\n0.251162 0.952857 0.251455 P\n0.251162 0.544526 0.952857 P\n0.746487 0.456203 0.047499 P\n0.746487 0.047499 0.749812 P\n0.746487 0.749812 0.456203 P\n0.067834 0.106059 0.325166 O\n0.067834 0.500941 0.106059 O\n0.067834 0.325166 0.500941 O\n0.226848 0.094946 0.741075 O\n0.432343 0.180456 0.381980 O\n0.287887 0.408603 0.551023 O\n0.226848 0.937131 0.094946 O\n0.287887 0.752486 0.408603 O\n0.563352 0.611120 0.005621 O\n0.287887 0.551023 0.752486 O\n0.770513 0.256460 0.065737 O\n0.563352 0.005621 0.819906 O\n0.432343 0.005221 0.180456 O\n0.226848 0.741075 0.937131 O\n0.718107 0.441410 0.248967 O\n0.432343 0.381980 0.005221 O\n0.718107 0.248967 0.591516 O\n0.770513 0.065737 0.907290 O\n0.718107 0.591516 0.441410 O\n0.563352 0.819906 0.611120 O\n0.770513 0.907290 0.256460 O\n0.932365 0.681176 0.494700 O\n0.932365 0.494700 0.891759 O\n0.932365 0.891759 0.681176 O\n",
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"formula_full": "Ti1 Fe5 P6 O24",
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"updated_at": "2021-11-28T01:35:33.002000Z",
"spacegroup": 146
},
{
"id": "mp-762019",
"created_at": "2022-09-04T14:46:51.911552Z",
"structure_string": "Li1 V1 C2 O6\n1.0\n5.269181 -2.346297 0.000000\n5.269181 2.346297 0.000000\n4.224406 0.000000 3.927311\nLi V C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 V\n0.244909 0.244909 0.244909 C\n0.755091 0.755091 0.755091 C\n0.742451 0.036782 0.484924 O\n0.963218 0.515076 0.257549 O\n0.515076 0.257549 0.963218 O\n0.484924 0.742451 0.036782 O\n0.036782 0.484924 0.742451 O\n0.257549 0.963218 0.515076 O\n",
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"elements": [
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"formula_full": "Li1 V1 C2 O6",
"formula_reduced": "LiV(CO3)2",
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"spacegroup": 148
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{
"id": "mp-780529",
"created_at": "2022-09-04T14:43:20.381359Z",
"structure_string": "Li6 Mn8 B8 O24\n1.0\n5.893724 0.000000 0.000000\n2.005994 8.849236 0.000000\n1.683244 1.054445 9.641461\nLi Mn B O\n6 8 8 24\ndirect\n0.575392 0.218218 0.585103 Li\n0.644423 0.280606 0.170164 Li\n0.355577 0.719394 0.829836 Li\n0.424608 0.781782 0.414897 Li\n0.102276 0.216333 0.086623 Li\n0.897724 0.783667 0.913377 Li\n0.663583 0.556360 0.595325 Mn\n0.858439 0.448932 0.888515 Mn\n0.604307 0.938667 0.144261 Mn\n0.336417 0.443640 0.404675 Mn\n0.395693 0.061333 0.855739 Mn\n0.141561 0.551068 0.111485 Mn\n0.900050 0.034482 0.354622 Mn\n0.099950 0.965518 0.645378 Mn\n0.858451 0.114400 0.911107 B\n0.599202 0.614990 0.151783 B\n0.641939 0.889533 0.605045 B\n0.358061 0.110467 0.394955 B\n0.400798 0.385010 0.848217 B\n0.112915 0.624870 0.648784 B\n0.141549 0.885600 0.088893 B\n0.887085 0.375130 0.351216 B\n0.783609 0.610230 0.040162 O\n0.695403 0.391925 0.459434 O\n0.762941 0.009937 0.568179 O\n0.810947 0.232964 0.989867 O\n0.529742 0.736559 0.227800 O\n0.685324 0.774840 0.521946 O\n0.718975 0.002305 0.933062 O\n0.483809 0.492422 0.188167 O\n0.530387 0.105417 0.279255 O\n0.304597 0.608075 0.540566 O\n0.516191 0.507578 0.811833 O\n0.314676 0.225160 0.478054 O\n0.470258 0.263441 0.772200 O\n0.237059 0.990063 0.431821 O\n0.469613 0.894583 0.720745 O\n0.216391 0.389770 0.959838 O\n0.281025 0.997695 0.066938 O\n0.027309 0.483777 0.323778 O\n0.072551 0.741127 0.731210 O\n0.189053 0.767036 0.010133 O\n0.927449 0.258873 0.268790 O\n0.972691 0.516223 0.676222 O\n0.058094 0.089303 0.813055 O\n0.941906 0.910697 0.186945 O\n",
"nsites": 46,
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],
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"volume": 502.849960683152,
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"formula_full": "Li6 Mn8 B8 O24",
"formula_reduced": "Li3Mn4(BO3)4",
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"energy": -370.5447427,
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"updated_at": "2021-11-28T01:36:10.631000Z",
"spacegroup": 2
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{
"id": "mp-1076335",
"created_at": "2022-09-04T14:42:22.149728Z",
"structure_string": "K5 Na3 Nb8 O24\n1.0\n8.079741 0.000000 0.000000\n0.000000 8.079741 0.000000\n0.000000 0.000000 8.079635\nK Na Nb O\n5 3 8 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.750511 0.750511 0.748416 Nb\n0.750511 0.750511 0.251584 Nb\n0.249489 0.750511 0.748416 Nb\n0.249489 0.750511 0.251584 Nb\n0.750511 0.249489 0.748416 Nb\n0.750511 0.249489 0.251584 Nb\n0.249489 0.249489 0.748416 Nb\n0.249489 0.249489 0.251584 Nb\n0.750492 0.000000 0.745693 O\n0.750492 0.000000 0.254307 O\n0.249508 0.000000 0.745693 O\n0.249508 0.000000 0.254307 O\n0.751956 0.500000 0.747087 O\n0.751956 0.500000 0.252913 O\n0.248044 0.500000 0.747087 O\n0.248044 0.500000 0.252913 O\n0.000000 0.750492 0.745693 O\n0.000000 0.750492 0.254307 O\n0.500000 0.751956 0.747087 O\n0.500000 0.751956 0.252913 O\n0.000000 0.249508 0.745693 O\n0.000000 0.249508 0.254307 O\n0.500000 0.248044 0.747087 O\n0.500000 0.248044 0.252913 O\n0.750472 0.750472 0.000000 O\n0.751841 0.751841 0.500000 O\n0.249528 0.750472 0.000000 O\n0.248159 0.751841 0.500000 O\n0.750472 0.249528 0.000000 O\n0.751841 0.248159 0.500000 O\n0.249528 0.249528 0.000000 O\n0.248159 0.248159 0.500000 O\n",
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"formula_full": "K5 Na3 Nb8 O24",
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{
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"structure_string": "Hf4 Al6 C8\n1.0\n1.667649 -2.888453 0.000000\n1.667649 2.888453 0.000000\n0.000000 0.000000 22.160936\nHf Al C\n4 6 8\ndirect\n0.666667 0.333333 0.057652 Hf\n0.333333 0.666667 0.942348 Hf\n0.333333 0.666667 0.557652 Hf\n0.666667 0.333333 0.442348 Hf\n0.000000 0.000000 0.158472 Al\n0.000000 0.000000 0.341527 Al\n0.000000 0.000000 0.841527 Al\n0.000000 0.000000 0.658473 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.626756 C\n0.333333 0.666667 0.373244 C\n0.000000 0.000000 0.250000 C\n0.333333 0.666667 0.126756 C\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.873244 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.750000 C\n",
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{
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{
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{
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{
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]
}