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{
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{
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{
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"structure_string": "V2 Co4 N6\n1.0\n5.213408 0.025179 0.000000\n-2.629759 4.503068 0.000000\n0.000000 0.000000 5.113611\nV Co N\n2 4 6\ndirect\n0.000000 0.822040 0.949952 V\n0.000000 0.177960 0.449952 V\n0.315326 0.831198 0.486900 Co\n0.684674 0.515872 0.486900 Co\n0.684674 0.168802 0.986900 Co\n0.315326 0.484128 0.986900 Co\n0.352561 0.834351 0.850270 N\n0.647439 0.481790 0.850270 N\n0.647439 0.165649 0.350270 N\n0.352561 0.518210 0.350270 N\n0.000000 0.837518 0.320089 N\n0.000000 0.162482 0.820089 N\n",
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{
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"structure_string": "Li3 Fe4 O3 F9\n1.0\n5.954106 0.000000 0.000000\n-0.931473 5.936498 0.000000\n-0.973416 -1.201353 5.836590\nLi Fe O F\n3 4 3 9\ndirect\n0.851525 0.659598 0.409308 Li\n0.694451 0.400099 0.869104 Li\n0.120959 0.329112 0.598920 Li\n0.595199 0.126652 0.319396 Fe\n0.323923 0.635496 0.151103 Fe\n0.998338 0.001807 0.994024 Fe\n0.427919 0.882120 0.691324 Fe\n0.317168 0.950713 0.102285 O\n0.575295 0.823095 0.418529 O\n0.694260 0.053808 0.893654 O\n0.922072 0.682471 0.049311 F\n0.933930 0.105632 0.308651 F\n0.563392 0.408592 0.179282 F\n0.793511 0.390865 0.573911 F\n0.387269 0.174521 0.565179 F\n0.174851 0.566013 0.403453 F\n0.422233 0.601778 0.828752 F\n0.078944 0.881717 0.686667 F\n0.124758 0.325912 0.957148 F\n",
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{
"id": "mp-998913",
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"structure_string": "K1 O3\n1.0\n-2.074211 2.942416 3.203817\n2.074211 -2.942416 3.203817\n2.074211 2.942416 -3.203817\nK O\n1 3\ndirect\n0.489499 0.489499 0.000000 K\n0.888676 0.083680 0.804996 O\n0.967541 0.967541 0.000000 O\n0.278684 0.083680 0.195004 O\n",
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{
"id": "mp-1218557",
"created_at": "2022-09-04T14:40:28.209701Z",
"structure_string": "Sr6 Co2 Sb4 O18\n1.0\n-2.848970 4.091339 8.565089\n2.848970 -4.091339 8.565089\n2.848970 4.091339 -8.565089\nSr Co Sb O\n6 2 4 18\ndirect\n0.583928 0.326353 0.257575 Sr\n0.931222 0.673647 0.257575 Sr\n0.230830 0.000000 0.230830 Sr\n0.416072 0.673647 0.742425 Sr\n0.769170 0.000000 0.769170 Sr\n0.068778 0.326353 0.742425 Sr\n0.833060 0.833060 0.000000 Co\n0.166940 0.166940 0.000000 Co\n0.000000 0.500000 0.500000 Sb\n0.332854 0.832854 0.500000 Sb\n0.667146 0.167146 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.745361 0.500000 0.245361 O\n0.100202 0.838286 0.261916 O\n0.423630 0.161714 0.261916 O\n0.254639 0.500000 0.754639 O\n0.576370 0.838286 0.738084 O\n0.899798 0.161714 0.738084 O\n0.919288 0.664177 0.744890 O\n0.252382 0.000967 0.748585 O\n0.580794 0.333676 0.752882 O\n0.919288 0.174398 0.255110 O\n0.252382 0.503797 0.251415 O\n0.580794 0.827912 0.247118 O\n0.080712 0.825602 0.744890 O\n0.419206 0.172088 0.752882 O\n0.747618 0.496203 0.748585 O\n0.080712 0.335823 0.255110 O\n0.419206 0.666324 0.247118 O\n0.747618 0.999033 0.251415 O\n",
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{
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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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"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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{
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"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-1102744",
"created_at": "2022-09-04T14:40:28.195119Z",
"structure_string": "Zn4 O8\n1.0\n0.000000 0.000000 3.922740\n3.201396 0.000000 0.000000\n0.000000 9.993820 0.000000\nZn O\n4 8\ndirect\n0.177524 0.990732 0.622461 Zn\n0.677524 0.509268 0.377539 Zn\n0.822476 0.490732 0.877539 Zn\n0.322476 0.009268 0.122461 Zn\n0.512073 0.491837 0.581917 O\n0.012073 0.008164 0.418083 O\n0.487927 0.991837 0.918083 O\n0.987927 0.508163 0.081917 O\n0.170745 0.991725 0.834741 O\n0.670745 0.508275 0.165259 O\n0.829255 0.491725 0.665259 O\n0.329255 0.008275 0.334741 O\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "O-Zn",
"density": 5.155162725014884,
"density_atomic": 0.09561384893655335,
"volume": 125.50483150158364,
"volume_molar": 6.2983980113551565,
"formula_full": "Zn4 O8",
"formula_reduced": "ZnO2",
"formula_anonymous": "AB2",
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"spacegroup": 19
},
{
"id": "mp-1078871",
"created_at": "2022-09-04T14:40:28.195009Z",
"structure_string": "La2 Ga2 O6\n1.0\n4.769969 -2.797692 0.000000\n4.769969 2.797692 0.000000\n3.129061 0.000000 4.559459\nLa Ga O\n2 2 6\ndirect\n0.748224 0.748224 0.748224 La\n0.248224 0.248224 0.248224 La\n0.496395 0.496395 0.496395 Ga\n0.996395 0.996395 0.996395 Ga\n0.675696 0.815180 0.242604 O\n0.242604 0.675696 0.815180 O\n0.815180 0.242604 0.675696 O\n0.742604 0.315180 0.175696 O\n0.175696 0.742604 0.315180 O\n0.315180 0.175696 0.742604 O\n",
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"elements": [
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"Ga",
"O"
],
"chemical_system": "Ga-La-O",
"density": 7.003612573186545,
"density_atomic": 0.0821752874687782,
"volume": 121.69108631106907,
"volume_molar": 7.328408510025671,
"formula_full": "La2 Ga2 O6",
"formula_reduced": "LaGaO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:01.743000Z",
"spacegroup": 161
}
]
}