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{
"id": "mp-532091",
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"volume": 1503.741553234031,
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"formula_full": "Na52 In8 O38",
"formula_reduced": "Na26In4O19",
"formula_anonymous": "A4B19C26",
"energy": -437.9557607,
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{
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"created_at": "2022-09-04T14:47:55.072576Z",
"structure_string": "Zr4 Fe2\n1.0\n-3.138802 3.138802 2.868279\n3.138802 -3.138802 2.868279\n3.138802 3.138802 -2.868279\nZr Fe\n4 2\ndirect\n0.678284 0.178284 0.856567 Zr\n0.321716 0.821716 0.143433 Zr\n0.821716 0.678284 0.500000 Zr\n0.178284 0.321716 0.500000 Zr\n0.750000 0.750000 0.000000 Fe\n0.250000 0.250000 0.000000 Fe\n",
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{
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"structure_string": "Sr2 Ti2 Sb2 O1 F2\n1.0\n-2.056452 2.056452 10.677119\n2.056452 -2.056452 10.677119\n2.056452 2.056452 -10.677119\nSr Ti Sb O F\n2 2 2 1 2\ndirect\n0.316955 0.316955 0.000000 Sr\n0.683045 0.683045 0.000000 Sr\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.904532 0.904532 0.000000 Sb\n0.095468 0.095468 0.000000 Sb\n0.500000 0.500000 0.000000 O\n0.250000 0.750000 0.500000 F\n0.750000 0.250000 0.500000 F\n",
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"formula_full": "Sr2 Ti2 Sb2 O1 F2",
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{
"id": "mp-780618",
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"structure_string": "Na8 Bi4 O12\n1.0\n10.036474 0.000000 0.000000\n0.000000 4.836842 0.000000\n0.000000 0.021583 6.773706\nNa Bi O\n8 4 12\ndirect\n0.745447 0.255522 0.887501 Na\n0.754553 0.255522 0.387501 Na\n0.418627 0.251207 0.874237 Na\n0.081373 0.251207 0.374237 Na\n0.918627 0.748793 0.625763 Na\n0.581373 0.748793 0.125763 Na\n0.245447 0.744478 0.612499 Na\n0.254553 0.744478 0.112499 Na\n0.089511 0.240975 0.859986 Bi\n0.410489 0.240975 0.359986 Bi\n0.589511 0.759025 0.640014 Bi\n0.910489 0.759025 0.140014 Bi\n0.570621 0.240062 0.606900 O\n0.929379 0.240062 0.106900 O\n0.934895 0.250904 0.655975 O\n0.565105 0.250904 0.155975 O\n0.248454 0.247163 0.620266 O\n0.251546 0.247163 0.120266 O\n0.748454 0.752837 0.879734 O\n0.751546 0.752837 0.379734 O\n0.434895 0.749096 0.844025 O\n0.065105 0.749096 0.344025 O\n0.070621 0.759938 0.893100 O\n0.429379 0.759938 0.393100 O\n",
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"formula_full": "Na8 Bi4 O12",
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"spacegroup": 14
},
{
"id": "mp-1212609",
"created_at": "2022-09-04T14:47:55.316286Z",
"structure_string": "Ga1 Pd1\n1.0\n3.120572 0.000000 0.000000\n0.000000 3.120572 0.000000\n0.000000 0.000000 3.120572\nGa Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-1204375",
"created_at": "2022-09-04T14:47:55.022783Z",
"structure_string": "Cu8 As4 O32\n1.0\n0.000000 0.000000 5.483894\n10.428742 0.000000 0.000000\n0.000000 12.208124 0.000000\nCu As O\n8 4 32\ndirect\n0.534055 0.749417 0.505588 Cu\n0.034055 0.750583 0.494412 Cu\n0.465945 0.249417 0.994412 Cu\n0.965945 0.250583 0.005588 Cu\n0.855397 0.787678 0.725086 Cu\n0.355397 0.712322 0.274914 Cu\n0.144603 0.287678 0.774914 Cu\n0.644603 0.212322 0.225086 Cu\n0.294930 0.585845 0.740248 As\n0.794930 0.914155 0.259752 As\n0.705070 0.085845 0.759752 As\n0.205069 0.414155 0.240248 As\n0.985766 0.217732 0.596220 O\n0.485766 0.282268 0.403780 O\n0.014234 0.717732 0.903780 O\n0.514234 0.782268 0.096220 O\n0.143737 0.880381 0.724686 O\n0.643737 0.619619 0.275314 O\n0.856263 0.380381 0.775314 O\n0.356263 0.119619 0.224686 O\n0.648540 0.927772 0.779427 O\n0.148540 0.572228 0.220573 O\n0.351460 0.427772 0.720573 O\n0.851460 0.072228 0.279427 O\n0.535987 0.681671 0.721751 O\n0.035987 0.818329 0.278249 O\n0.464013 0.181671 0.778249 O\n0.964013 0.318329 0.221751 O\n0.022560 0.629609 0.682754 O\n0.522560 0.870391 0.317246 O\n0.977440 0.129609 0.817246 O\n0.477440 0.370391 0.182754 O\n0.277447 0.850021 0.552221 O\n0.777447 0.649979 0.447779 O\n0.722553 0.350021 0.947779 O\n0.222553 0.149979 0.052221 O\n0.790598 0.837474 0.566776 O\n0.290598 0.662526 0.433224 O\n0.209402 0.337474 0.933224 O\n0.709402 0.162526 0.066776 O\n0.183647 0.632745 0.903328 O\n0.683647 0.867255 0.096672 O\n0.816353 0.132745 0.596672 O\n0.316353 0.367255 0.403328 O\n",
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"formula_full": "Cu8 As4 O32",
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{
"id": "mp-1200606",
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"structure_string": "Mg2 H20 S2 O18\n1.0\n6.119295 0.000000 0.000000\n2.162458 5.942505 0.000000\n1.569911 2.165873 10.299529\nMg H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.723526 0.573415 0.201622 H\n0.276474 0.426585 0.798378 H\n0.727277 0.393918 0.122285 H\n0.272723 0.606082 0.877715 H\n0.908132 0.190690 0.389612 H\n0.091868 0.809310 0.610388 H\n0.360478 0.672763 0.377760 H\n0.639522 0.327237 0.622240 H\n0.444433 0.397908 0.392548 H\n0.555567 0.602092 0.607452 H\n0.349821 0.645935 0.129607 H\n0.650179 0.354065 0.870393 H\n0.099331 0.663240 0.204238 H\n0.900669 0.336760 0.795762 H\n0.233119 0.278756 0.012409 H\n0.766881 0.721244 0.987591 H\n0.265426 0.094832 0.146642 H\n0.734574 0.905168 0.853358 H\n0.816568 0.861193 0.628681 H\n0.183432 0.138807 0.371319 H\n0.340247 0.029174 0.713252 S\n0.659753 0.970826 0.286748 S\n0.341342 0.442632 0.873210 O\n0.658658 0.557368 0.126790 O\n0.313069 0.533492 0.409545 O\n0.686931 0.466508 0.590455 O\n0.180045 0.696150 0.118514 O\n0.819955 0.303850 0.881486 O\n0.158659 0.177256 0.076793 O\n0.841341 0.822744 0.923207 O\n0.420772 0.950940 0.293335 O\n0.579228 0.049060 0.706665 O\n0.659868 0.127316 0.370635 O\n0.340132 0.872684 0.629365 O\n0.826698 0.734150 0.329951 O\n0.173302 0.265850 0.670049 O\n0.728434 0.062156 0.149523 O\n0.271566 0.937844 0.850477 O\n0.964159 0.754674 0.598122 O\n0.035841 0.245326 0.401878 O\n",
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{
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"structure_string": "Li2 B2\n1.0\n-1.539675 2.832421 3.111973\n1.539675 -2.832421 3.111973\n1.539675 2.832421 -3.111973\nLi B\n2 2\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.972903 0.750000 0.222903 B\n0.027097 0.250000 0.777097 B\n",
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{
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"structure_string": "V1 Fe1 Te1\n1.0\n0.000000 2.916506 2.916506\n2.916506 0.000000 2.916506\n2.916506 2.916506 0.000000\nV Fe Te\n1 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Te\n",
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{
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{
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"structure_string": "Zn8 B3 H3 O14\n1.0\n6.415643 -4.119383 0.000000\n6.415643 4.119383 0.000000\n3.770653 0.000000 6.626611\nZn B H O\n8 3 3 14\ndirect\n0.408226 0.408226 0.408226 Zn\n0.770657 0.517320 0.955745 Zn\n0.955745 0.770657 0.517320 Zn\n0.044255 0.482680 0.229343 Zn\n0.517320 0.955745 0.770657 Zn\n0.482680 0.229343 0.044255 Zn\n0.591774 0.591774 0.591774 Zn\n0.229343 0.044255 0.482680 Zn\n0.500000 0.798109 0.201891 B\n0.798109 0.201891 0.500000 B\n0.201891 0.500000 0.798109 B\n0.139720 0.000000 0.860281 H\n0.000000 0.860281 0.139720 H\n0.860281 0.139719 0.000000 H\n0.000000 0.743122 0.256878 O\n0.703501 0.703501 0.703501 O\n0.256878 0.000000 0.743122 O\n0.388582 0.457750 0.818541 O\n0.818541 0.388582 0.457750 O\n0.967689 0.032311 0.500000 O\n0.181459 0.542250 0.611418 O\n0.743122 0.256878 0.000000 O\n0.611418 0.181459 0.542250 O\n0.457750 0.818541 0.388582 O\n0.500000 0.967689 0.032311 O\n0.296499 0.296499 0.296499 O\n0.542250 0.611418 0.181459 O\n0.032311 0.500000 0.967689 O\n",
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}