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{
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{
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{
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{
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"structure_string": "V23 Se40\n1.0\n1.710335 12.423343 0.000000\n-1.710335 12.423343 0.000000\n0.000000 7.257712 29.829671\nV Se\n23 40\ndirect\n0.876625 0.876625 0.735589 V\n0.624904 0.624904 0.772475 V\n0.376889 0.376889 0.615041 V\n0.123384 0.123384 0.685686 V\n0.250579 0.250579 0.650575 V\n0.875787 0.875787 0.525977 V\n0.623942 0.623942 0.566409 V\n0.876616 0.876616 0.314314 V\n0.124213 0.124213 0.474023 V\n0.623111 0.623111 0.384959 V\n0.376058 0.376058 0.433591 V\n0.375096 0.375096 0.227525 V\n0.749421 0.749421 0.349425 V\n0.123375 0.123375 0.264411 V\n0.625069 0.625069 0.174680 V\n0.372571 0.372571 0.034967 V\n0.874800 0.874800 0.122937 V\n0.126654 0.126654 0.084525 V\n0.873346 0.873346 0.915475 V\n0.125200 0.125200 0.877063 V\n0.500000 0.500000 0.000000 V\n0.627429 0.627429 0.965033 V\n0.374931 0.374931 0.825320 V\n0.063974 0.063974 0.820245 Se\n0.310084 0.310084 0.772699 Se\n0.193671 0.193671 0.731665 Se\n0.941957 0.941957 0.781813 Se\n0.682464 0.682464 0.630551 Se\n0.556673 0.556673 0.723183 Se\n0.429066 0.429066 0.681229 Se\n0.818085 0.818085 0.671051 Se\n0.942472 0.942472 0.576859 Se\n0.189835 0.189835 0.528130 Se\n0.308378 0.308378 0.568921 Se\n0.071070 0.071070 0.620884 Se\n0.810165 0.810165 0.471870 Se\n0.440751 0.440751 0.481069 Se\n0.691622 0.691622 0.431079 Se\n0.559249 0.559249 0.518931 Se\n0.181915 0.181915 0.328949 Se\n0.928930 0.928930 0.379116 Se\n0.317536 0.317536 0.369449 Se\n0.057528 0.057528 0.423141 Se\n0.806329 0.806329 0.268335 Se\n0.570934 0.570934 0.318771 Se\n0.443327 0.443327 0.276817 Se\n0.689916 0.689916 0.227301 Se\n0.058043 0.058043 0.218187 Se\n0.313746 0.313746 0.169668 Se\n0.936026 0.936026 0.179755 Se\n0.192045 0.192045 0.130418 Se\n0.560431 0.560431 0.121692 Se\n0.806570 0.806570 0.072156 Se\n0.442988 0.442988 0.080623 Se\n0.678785 0.678785 0.030316 Se\n0.067635 0.067635 0.020712 Se\n0.321215 0.321215 0.969684 Se\n0.193430 0.193430 0.927844 Se\n0.932365 0.932365 0.979288 Se\n0.557012 0.557012 0.919377 Se\n0.807955 0.807955 0.869582 Se\n0.439569 0.439569 0.878308 Se\n0.686254 0.686254 0.830332 Se\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Se-V",
"density": 5.67210604646895,
"density_atomic": 0.049698402753247356,
"volume": 1267.646373119778,
"volume_molar": 12.117372845763148,
"formula_full": "V23 Se40",
"formula_reduced": "V23Se40",
"formula_anonymous": "A23B40",
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"energy_uncorrected": -391.23288051,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 18.9154049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.260000Z",
"spacegroup": 12
},
{
"id": "mp-684997",
"created_at": "2022-09-04T14:39:47.008194Z",
"structure_string": "Ni23 Te42\n1.0\n8.573593 0.000000 0.000000\n-0.574965 8.580429 0.000000\n-1.687258 -1.216798 19.907363\nNi Te\n23 42\ndirect\n0.572759 0.002647 0.715127 Ni\n0.235856 0.666846 0.715162 Ni\n0.000000 0.000000 0.000000 Ni\n0.954872 0.664788 0.856479 Ni\n0.710595 0.002400 0.141431 Ni\n0.096686 0.167413 0.786147 Ni\n0.902227 0.336344 0.712787 Ni\n0.666279 0.667802 0.998761 Ni\n0.427241 0.997353 0.284873 Ni\n0.619207 0.329514 0.856650 Ni\n0.380793 0.670486 0.143350 Ni\n0.142595 0.996734 0.429732 Ni\n0.333721 0.332198 0.001239 Ni\n0.097773 0.663656 0.287213 Ni\n0.857405 0.003266 0.570268 Ni\n0.289405 0.997600 0.858569 Ni\n0.045128 0.335212 0.143521 Ni\n0.810927 0.667092 0.430056 Ni\n0.764144 0.333154 0.284838 Ni\n0.523552 0.665830 0.571942 Ni\n0.903314 0.832587 0.213853 Ni\n0.476448 0.334170 0.428058 Ni\n0.189073 0.332908 0.569944 Ni\n0.538121 0.696479 0.702419 Te\n0.254826 0.690912 0.845861 Te\n0.965683 0.694560 0.987602 Te\n0.203862 0.365169 0.699965 Te\n0.557157 0.971649 0.583887 Te\n0.916906 0.363348 0.844856 Te\n0.677673 0.694024 0.128556 Te\n0.274325 0.968821 0.726557 Te\n0.868562 0.029403 0.700364 Te\n0.631784 0.362415 0.988433 Te\n0.398489 0.693437 0.273923 Te\n0.223865 0.637437 0.584136 Te\n0.987273 0.966836 0.870729 Te\n0.588939 0.025910 0.845724 Te\n0.346650 0.362270 0.131767 Te\n0.935879 0.640353 0.725538 Te\n0.111905 0.692476 0.417716 Te\n0.697262 0.972368 0.010926 Te\n0.302738 0.027632 0.989074 Te\n0.064121 0.359647 0.274462 Te\n0.653350 0.637730 0.868233 Te\n0.888095 0.307524 0.582284 Te\n0.822845 0.695336 0.560331 Te\n0.411061 0.974090 0.154276 Te\n0.012727 0.033164 0.129271 Te\n0.776135 0.362563 0.415864 Te\n0.368216 0.637585 0.011567 Te\n0.601511 0.306563 0.726077 Te\n0.131438 0.970597 0.299636 Te\n0.725675 0.031179 0.273443 Te\n0.489957 0.359851 0.558725 Te\n0.083094 0.636652 0.155144 Te\n0.322327 0.305976 0.871444 Te\n0.842995 0.971247 0.439894 Te\n0.442843 0.028351 0.416113 Te\n0.034317 0.305440 0.012398 Te\n0.796138 0.634831 0.300035 Te\n0.157005 0.028753 0.560106 Te\n0.745174 0.309088 0.154139 Te\n0.510043 0.640149 0.441275 Te\n0.461879 0.303521 0.297581 Te\n0.177155 0.304664 0.439669 Te\n",
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"elements": [
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],
"chemical_system": "Ni-Te",
"density": 7.607305930009723,
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"formula_full": "Ni23 Te42",
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"updated_at": "2021-11-28T01:34:39.778000Z",
"spacegroup": 2
}
]
}