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{
"id": "mp-865284",
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{
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{
"id": "mp-1186770",
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},
{
"id": "mp-1017459",
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"structure_string": "La1 Mg6 C1\n1.0\n2.795734 -6.895927 0.000000\n2.795734 6.895927 0.000000\n0.000000 0.000000 4.694373\nLa Mg C\n1 6 1\ndirect\n0.803989 0.196011 0.500000 La\n0.297699 0.206905 0.500000 Mg\n0.793095 0.702301 0.500000 Mg\n0.183225 0.340376 0.000000 Mg\n0.659624 0.816775 0.000000 Mg\n0.638959 0.361041 0.000000 Mg\n0.215364 0.784636 0.000000 Mg\n0.408048 0.591952 0.500000 C\n",
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{
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"structure_string": "Mg2 Cr2 H20 O18\n1.0\n6.248060 0.000000 0.000000\n2.185960 6.075856 0.000000\n1.716932 2.367373 10.626306\nMg Cr H O\n2 2 20 18\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.647993 0.978385 0.289723 Cr\n0.352007 0.021615 0.710277 Cr\n0.660945 0.319593 0.627566 H\n0.339055 0.680407 0.372434 H\n0.563068 0.591971 0.605543 H\n0.436932 0.408029 0.394457 H\n0.903032 0.322882 0.793965 H\n0.096968 0.677118 0.206035 H\n0.664234 0.341306 0.872425 H\n0.335766 0.658694 0.127575 H\n0.749260 0.897360 0.859506 H\n0.250740 0.102640 0.140494 H\n0.767493 0.720623 0.992760 H\n0.232507 0.279377 0.007240 H\n0.303602 0.607090 0.873853 H\n0.696398 0.392910 0.126147 H\n0.294029 0.430220 0.801714 H\n0.705971 0.569780 0.198286 H\n0.101940 0.801987 0.593593 H\n0.898060 0.198013 0.406407 H\n0.832003 0.860145 0.620188 H\n0.167997 0.139855 0.379812 H\n0.826465 0.721081 0.340229 O\n0.173535 0.278919 0.659771 O\n0.384382 0.961571 0.294723 O\n0.615618 0.038429 0.705277 O\n0.352971 0.847342 0.622813 O\n0.647029 0.152658 0.377187 O\n0.266608 0.922252 0.858407 O\n0.733392 0.077748 0.141593 O\n0.699624 0.461142 0.595981 O\n0.300376 0.538858 0.404019 O\n0.831177 0.295138 0.879522 O\n0.168823 0.704862 0.120478 O\n0.841060 0.823705 0.932747 O\n0.158940 0.176295 0.067253 O\n0.356707 0.443800 0.874180 O\n0.643293 0.556200 0.125820 O\n0.968615 0.760898 0.581591 O\n0.031385 0.239102 0.418409 O\n",
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{
"id": "mp-1087546",
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"structure_string": "O8\n1.0\n4.565600 3.970196 0.000000\n-4.565600 3.970196 0.000000\n0.000000 2.164898 3.946012\nO\n8\ndirect\n0.711206 0.006915 0.606040 O\n0.993085 0.288794 0.893960 O\n0.288794 0.993085 0.393960 O\n0.006915 0.711206 0.106040 O\n0.598692 0.822027 0.860867 O\n0.177973 0.401308 0.639133 O\n0.401308 0.177973 0.139133 O\n0.822027 0.598692 0.360867 O\n",
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{
"id": "mp-1205068",
"created_at": "2022-09-04T14:47:34.154851Z",
"structure_string": "Rb8 P6 Pd6 S24\n1.0\n12.238173 0.000000 0.000000\n0.000000 12.238173 0.000000\n0.000000 0.000000 12.238173\nRb P Pd S\n8 6 6 24\ndirect\n0.750000 0.250000 0.750000 Rb\n0.250000 0.750000 0.250000 Rb\n0.750000 0.750000 0.250000 Rb\n0.250000 0.250000 0.750000 Rb\n0.250000 0.750000 0.750000 Rb\n0.750000 0.250000 0.250000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.500000 0.750000 P\n0.500000 0.250000 0.000000 P\n0.750000 0.000000 0.500000 P\n0.000000 0.500000 0.250000 P\n0.500000 0.750000 0.000000 P\n0.250000 0.000000 0.500000 P\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.368820 0.644760 S\n0.631180 0.355240 0.000000 S\n0.644760 0.000000 0.631180 S\n0.000000 0.631180 0.355240 S\n0.368820 0.644760 0.000000 S\n0.355240 0.000000 0.368820 S\n0.631180 0.644760 0.000000 S\n0.644760 0.000000 0.368820 S\n0.368820 0.355240 0.000000 S\n0.355240 0.000000 0.631180 S\n0.000000 0.631180 0.644760 S\n0.000000 0.368820 0.355240 S\n0.500000 0.144760 0.868820 S\n0.131180 0.500000 0.855240 S\n0.144760 0.131180 0.500000 S\n0.500000 0.855240 0.131180 S\n0.868820 0.500000 0.144760 S\n0.855240 0.868820 0.500000 S\n0.131180 0.500000 0.144760 S\n0.144760 0.868820 0.500000 S\n0.868820 0.500000 0.855240 S\n0.855240 0.131180 0.500000 S\n0.500000 0.144760 0.131180 S\n0.500000 0.855240 0.868820 S\n",
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{
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"structure_string": "Li8 V4 P12 O40\n1.0\n7.995690 0.000000 0.000000\n0.000000 9.959586 0.000000\n0.000000 1.380707 12.067654\nLi V P O\n8 4 12 40\ndirect\n0.548587 0.621709 0.150255 Li\n0.951413 0.121709 0.150255 Li\n0.889356 0.088447 0.443931 Li\n0.610644 0.588447 0.443931 Li\n0.389356 0.411553 0.556069 Li\n0.110644 0.911553 0.556069 Li\n0.048587 0.878291 0.849745 Li\n0.451413 0.378291 0.849745 Li\n0.145467 0.370487 0.169457 V\n0.354533 0.870487 0.169457 V\n0.645467 0.129513 0.830543 V\n0.854533 0.629513 0.830543 V\n0.426215 0.189077 0.061254 P\n0.073785 0.689077 0.061254 P\n0.576490 0.083120 0.269449 P\n0.923510 0.583120 0.269449 P\n0.215413 0.071921 0.331825 P\n0.284587 0.571921 0.331825 P\n0.715413 0.428079 0.668175 P\n0.784587 0.928079 0.668175 P\n0.076490 0.416880 0.730551 P\n0.423510 0.916880 0.730551 P\n0.926215 0.310923 0.938746 P\n0.573785 0.810923 0.938746 P\n0.326145 0.059542 0.082098 O\n0.999181 0.286571 0.055859 O\n0.338767 0.320957 0.081132 O\n0.173855 0.559542 0.082098 O\n0.500819 0.786571 0.055859 O\n0.161233 0.820957 0.081132 O\n0.581083 0.178008 0.150718 O\n0.918917 0.678008 0.150718 O\n0.119655 0.173910 0.250410 O\n0.940571 0.437038 0.245125 O\n0.280645 0.430426 0.292336 O\n0.380345 0.673910 0.250410 O\n0.559429 0.937038 0.245125 O\n0.219355 0.930426 0.292336 O\n0.410894 0.126195 0.333389 O\n0.730444 0.119837 0.328540 O\n0.089106 0.626195 0.333389 O\n0.769556 0.619837 0.328540 O\n0.143446 0.066903 0.447544 O\n0.356554 0.566903 0.447544 O\n0.643446 0.433097 0.552456 O\n0.856554 0.933097 0.552456 O\n0.230444 0.380163 0.671460 O\n0.910894 0.373805 0.666611 O\n0.269556 0.880163 0.671460 O\n0.589106 0.873805 0.666611 O\n0.780645 0.069574 0.707664 O\n0.440571 0.062962 0.754875 O\n0.619655 0.326090 0.749590 O\n0.719355 0.569574 0.707664 O\n0.059429 0.562962 0.754875 O\n0.880345 0.826090 0.749590 O\n0.081083 0.321992 0.849282 O\n0.418917 0.821992 0.849282 O\n0.838767 0.179043 0.918868 O\n0.499181 0.213429 0.944141 O\n0.826145 0.440458 0.917902 O\n0.661233 0.679043 0.918868 O\n0.000819 0.713429 0.944141 O\n0.673855 0.940458 0.917902 O\n",
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{
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"structure_string": "K2 Gd4 Cu2 Se8\n1.0\n2.083033 -7.106589 0.000000\n2.083033 7.106589 0.000000\n0.000000 0.000000 14.506082\nK Gd Cu Se\n2 4 2 8\ndirect\n0.111367 0.888633 0.250000 K\n0.888633 0.111367 0.750000 K\n0.365417 0.634583 0.064411 Gd\n0.365417 0.634583 0.435589 Gd\n0.634583 0.365417 0.564411 Gd\n0.634583 0.365417 0.935589 Gd\n0.839957 0.160043 0.250000 Cu\n0.160043 0.839957 0.750000 Cu\n0.000000 0.000000 0.000000 Se\n0.734456 0.265544 0.113243 Se\n0.435333 0.564667 0.250000 Se\n0.734456 0.265544 0.386757 Se\n0.000000 0.000000 0.500000 Se\n0.265544 0.734456 0.613243 Se\n0.564667 0.435333 0.750000 Se\n0.265544 0.734456 0.886757 Se\n",
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{
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"structure_string": "Li24 Al8 N16\n1.0\n-4.760329 4.760329 4.760329\n4.760329 -4.760329 4.760329\n4.760329 4.760329 -4.760329\nLi Al N\n24 8 16\ndirect\n0.458720 0.223488 0.986206 Li\n0.762717 0.276512 0.735232 Li\n0.041280 0.027485 0.764768 Li\n0.472515 0.513794 0.737283 Li\n0.513794 0.737283 0.472515 Li\n0.986206 0.458720 0.223488 Li\n0.276512 0.735232 0.762717 Li\n0.764768 0.041280 0.027485 Li\n0.223488 0.986206 0.458720 Li\n0.735232 0.762717 0.276512 Li\n0.027485 0.764768 0.041280 Li\n0.737283 0.472515 0.513794 Li\n0.541280 0.776512 0.013794 Li\n0.237283 0.723488 0.264768 Li\n0.958720 0.972515 0.235232 Li\n0.527485 0.486206 0.262717 Li\n0.486206 0.262717 0.527485 Li\n0.013794 0.541280 0.776512 Li\n0.723488 0.264768 0.237283 Li\n0.262717 0.527485 0.486206 Li\n0.776512 0.013794 0.541280 Li\n0.264768 0.237283 0.723488 Li\n0.972515 0.235232 0.958720 Li\n0.235232 0.958720 0.972515 Li\n0.230216 0.230216 0.230216 Al\n0.269784 0.500000 0.000000 Al\n0.000000 0.269784 0.500000 Al\n0.500000 0.000000 0.269784 Al\n0.769784 0.769784 0.769784 Al\n0.730216 0.500000 0.000000 Al\n0.000000 0.730216 0.500000 Al\n0.500000 0.000000 0.730216 Al\n0.716062 0.250000 0.966062 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.466062 0.216062 0.250000 N\n0.283938 0.750000 0.033938 N\n0.750000 0.033938 0.283938 N\n0.216062 0.250000 0.466062 N\n0.966062 0.716062 0.250000 N\n0.750000 0.533938 0.783938 N\n0.783938 0.750000 0.533938 N\n0.250000 0.966062 0.716062 N\n0.250000 0.466062 0.216062 N\n0.533938 0.783938 0.750000 N\n0.033938 0.283938 0.750000 N\n0.000000 0.000000 0.000000 N\n",
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"elements": [
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],
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"formula_full": "Li24 Al8 N16",
"formula_reduced": "Li3AlN2",
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"updated_at": "2021-11-28T01:38:14.252000Z",
"spacegroup": 206
},
{
"id": "mp-631277",
"created_at": "2022-09-04T14:47:34.032010Z",
"structure_string": "Sr1 Cr1 W2\n1.0\n0.000000 3.275613 3.275613\n3.275613 0.000000 3.275613\n3.275613 3.275613 0.000000\nSr Cr W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n",
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"elements": [
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"density": 11.984029439735096,
"density_atomic": 0.05690523714494074,
"volume": 70.29229998307154,
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"formula_full": "Sr1 Cr1 W2",
"formula_reduced": "SrCrW2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:13.571000Z",
"spacegroup": 225
},
{
"id": "mp-862718",
"created_at": "2022-09-04T14:47:30.518238Z",
"structure_string": "Sr2 Sn2 P4 O16\n1.0\n2.654895 8.444058 0.000000\n-2.654895 8.444058 0.000000\n0.000000 3.502032 7.366960\nSr Sn P O\n2 2 4 16\ndirect\n0.219907 0.780093 0.250000 Sr\n0.780093 0.219907 0.750000 Sr\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.888421 0.393600 0.241073 P\n0.606400 0.111579 0.258927 P\n0.111579 0.606400 0.758927 P\n0.393600 0.888421 0.741073 P\n0.966222 0.477417 0.282365 O\n0.522583 0.033778 0.217635 O\n0.033778 0.522583 0.717635 O\n0.477417 0.966222 0.782365 O\n0.815428 0.286086 0.399464 O\n0.713914 0.184572 0.100536 O\n0.184572 0.713914 0.600536 O\n0.286086 0.815428 0.899464 O\n0.644631 0.646174 0.131595 O\n0.353826 0.355369 0.368405 O\n0.355369 0.353826 0.868405 O\n0.646174 0.644631 0.631595 O\n0.134514 0.168144 0.116114 O\n0.831856 0.865486 0.383886 O\n0.865486 0.831856 0.883886 O\n0.168144 0.134514 0.616114 O\n",
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],
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"formula_full": "Sr2 Sn2 P4 O16",
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"updated_at": "2021-11-28T01:38:09.341000Z",
"spacegroup": 15
}
]
}