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{
"id": "mp-667372",
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"structure_string": "Ba8 Zr3 Sb4 O24\n1.0\n-4.196151 4.196151 8.437063\n4.196151 -4.196151 8.437063\n4.196151 4.196151 -8.437063\nBa Zr Sb O\n8 3 4 24\ndirect\n0.351641 0.351641 0.466887 Ba\n0.351641 0.884755 0.000000 Ba\n0.648359 0.115245 0.000000 Ba\n0.648359 0.648359 0.533113 Ba\n0.884755 0.884755 0.533113 Ba\n0.115245 0.648359 0.000000 Ba\n0.115245 0.115245 0.466887 Ba\n0.884755 0.351641 0.000000 Ba\n0.250000 0.750000 0.500000 Zr\n0.750000 0.250000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.256391 0.256391 0.000000 Sb\n0.743609 0.743609 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.752373 0.500000 0.252373 O\n0.000000 0.729403 0.729403 O\n0.500000 0.752373 0.252373 O\n0.500000 0.247627 0.747627 O\n0.376113 0.876113 0.500000 O\n0.729403 0.000000 0.729403 O\n0.000000 0.270597 0.270597 O\n0.254599 0.500517 0.245918 O\n0.247627 0.500000 0.747627 O\n0.141024 0.141024 0.000000 O\n0.270597 0.000000 0.270597 O\n0.991319 0.745401 0.245918 O\n0.499483 0.745401 0.754082 O\n0.625883 0.625883 0.000000 O\n0.008681 0.254599 0.754082 O\n0.858976 0.858976 0.000000 O\n0.745401 0.991319 0.245918 O\n0.500517 0.254599 0.245918 O\n0.374117 0.374117 0.000000 O\n0.254599 0.008681 0.754082 O\n0.745401 0.499483 0.754082 O\n0.123887 0.623887 0.500000 O\n0.623887 0.123887 0.500000 O\n0.876113 0.376113 0.500000 O\n",
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{
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"formula_full": "Pr3 Ta2 N6",
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{
"id": "mp-1179709",
"created_at": "2022-09-04T14:40:28.197283Z",
"structure_string": "Rb2 In6 F20\n1.0\n6.935131 0.000000 0.000000\n0.000000 7.916716 0.000000\n0.000000 0.000000 8.419731\nRb In F\n2 6 20\ndirect\n0.992053 0.500000 0.250000 Rb\n0.007947 0.500000 0.750000 Rb\n0.500000 0.268915 0.500000 In\n0.500000 0.731085 0.000000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.500000 0.268915 0.000000 In\n0.500000 0.731085 0.500000 In\n0.194354 0.203415 0.980521 F\n0.194354 0.796585 0.519479 F\n0.805646 0.203415 0.019479 F\n0.805646 0.796585 0.480521 F\n0.194354 0.203415 0.519479 F\n0.194354 0.796585 0.980521 F\n0.805646 0.203415 0.480521 F\n0.805646 0.796585 0.019479 F\n0.500000 0.000000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.037355 0.000000 0.250000 F\n0.962645 0.000000 0.750000 F\n0.679580 0.500000 0.994995 F\n0.679580 0.500000 0.505005 F\n0.320420 0.500000 0.005005 F\n0.320420 0.500000 0.494995 F\n0.487263 0.721864 0.250000 F\n0.487263 0.278136 0.250000 F\n0.512737 0.721864 0.750000 F\n0.512737 0.278136 0.750000 F\n",
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},
{
"id": "mp-1235098",
"created_at": "2022-09-04T14:40:28.200024Z",
"structure_string": "Li1 Yb4 Ti2 O10\n1.0\n-0.100083 5.350172 0.123010\n-5.928384 2.779276 0.312074\n-3.199578 0.220812 7.355159\nLi Yb Ti O\n1 4 2 10\ndirect\n0.874144 0.305261 0.124239 Li\n0.645324 0.752272 0.734257 Yb\n0.611831 0.745497 0.239785 Yb\n0.384883 0.278874 0.761057 Yb\n0.378143 0.266546 0.266973 Yb\n0.000221 0.045665 0.537914 Ti\n0.023037 0.950218 0.989041 Ti\n0.769626 0.853534 0.945941 O\n0.376468 0.861833 0.468678 O\n0.064869 0.700724 0.611104 O\n0.733581 0.333130 0.890194 O\n0.332401 0.653823 0.122070 O\n0.946539 0.345241 0.335063 O\n0.615385 0.146555 0.547354 O\n0.165792 0.035383 0.743468 O\n0.218094 0.159649 0.037024 O\n0.797163 0.025795 0.190482 O\n",
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"formula_full": "Li1 Yb4 Ti2 O10",
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{
"id": "mp-1210974",
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"structure_string": "Li4 H8 C4 N20\n1.0\n10.707483 0.000000 0.000000\n0.000000 4.836038 0.000000\n0.000000 1.702515 6.975707\nLi H C N\n4 8 4 20\ndirect\n0.884369 0.795046 0.629160 Li\n0.115631 0.204954 0.370840 Li\n0.384369 0.204954 0.870840 Li\n0.615631 0.795046 0.129160 Li\n0.450368 0.813778 0.677350 H\n0.549632 0.186222 0.322650 H\n0.950368 0.186222 0.822650 H\n0.049632 0.813778 0.177350 H\n0.874271 0.908740 0.969005 H\n0.125729 0.091260 0.030995 H\n0.374271 0.091260 0.530995 H\n0.625729 0.908740 0.469005 H\n0.261668 0.780733 0.681072 C\n0.738332 0.219267 0.318928 C\n0.761668 0.219267 0.818928 C\n0.238332 0.780733 0.181072 C\n0.371488 0.936756 0.656443 N\n0.628512 0.063244 0.343557 N\n0.871488 0.063244 0.843557 N\n0.128512 0.936756 0.156443 N\n0.126705 0.455250 0.786362 N\n0.873295 0.544750 0.213638 N\n0.626705 0.544750 0.713638 N\n0.373295 0.455250 0.286362 N\n0.150962 0.884596 0.608998 N\n0.849038 0.115404 0.391002 N\n0.650962 0.115404 0.891002 N\n0.349038 0.884596 0.108998 N\n0.250232 0.513642 0.790215 N\n0.749768 0.486358 0.209785 N\n0.750232 0.486358 0.709785 N\n0.249768 0.513642 0.290215 N\n0.068439 0.674130 0.678804 N\n0.931561 0.325870 0.321196 N\n0.568439 0.325870 0.821196 N\n0.431561 0.674130 0.178804 N\n",
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{
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{
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{
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{
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{
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}