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{
"id": "mp-755407",
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"structure_string": "K4 V4 P4 C4 O28\n1.0\n0.190571 0.001247 5.370382\n10.372368 6.277475 -0.100342\n-10.374131 6.280057 0.103256\nK V P C O\n4 4 4 4 28\ndirect\n0.236984 0.305389 0.087828 K\n0.236929 0.805244 0.587643 K\n0.763779 0.837424 0.055049 K\n0.763744 0.337536 0.555081 K\n0.779228 0.064465 0.712461 V\n0.220788 0.962467 0.314365 V\n0.779269 0.564341 0.212319 V\n0.220742 0.462397 0.814423 V\n0.720500 0.360007 0.911185 P\n0.720586 0.860055 0.411176 P\n0.279437 0.660979 0.109820 P\n0.279363 0.160965 0.609822 P\n0.707281 0.436376 0.311708 C\n0.707382 0.936203 0.811556 C\n0.292545 0.561379 0.686083 C\n0.292602 0.061398 0.185997 C\n0.328158 0.112321 0.121014 O\n0.328097 0.612301 0.621112 O\n0.671760 0.871183 0.862440 O\n0.671556 0.371428 0.362649 O\n0.931492 0.466312 0.286398 O\n0.931553 0.966226 0.786283 O\n0.068355 0.536305 0.716320 O\n0.068414 0.036350 0.216247 O\n0.529143 0.487182 0.269029 O\n0.529174 0.987034 0.768940 O\n0.470784 0.518572 0.736722 O\n0.470826 0.018592 0.236632 O\n0.777291 0.216293 0.857035 O\n0.777462 0.716302 0.356820 O\n0.223409 0.607244 0.966133 O\n0.223525 0.107300 0.466138 O\n0.777460 0.409866 0.051909 O\n0.777384 0.909897 0.551897 O\n0.221567 0.801717 0.160203 O\n0.221617 0.301726 0.660255 O\n0.111310 0.599343 0.164466 O\n0.111127 0.099388 0.664491 O\n0.888719 0.415265 0.850230 O\n0.888758 0.915464 0.350309 O\n0.441605 0.377431 0.890329 O\n0.441684 0.877484 0.390254 O\n0.558360 0.640281 0.127407 O\n0.558250 0.140275 0.627522 O\n",
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"formula_full": "K4 V4 P4 C4 O28",
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{
"id": "mp-1187005",
"created_at": "2022-09-04T14:48:31.336678Z",
"structure_string": "Si2 Ag6\n1.0\n2.961703 -5.129820 0.000000\n2.961703 5.129820 0.000000\n0.000000 0.000000 4.569080\nSi Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.170801 0.341602 0.250000 Ag\n0.658398 0.829199 0.250000 Ag\n0.170801 0.829199 0.250000 Ag\n0.829199 0.658398 0.750000 Ag\n0.341602 0.170801 0.750000 Ag\n0.829199 0.170801 0.750000 Ag\n",
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"density": 8.412727985054694,
"density_atomic": 0.05762190305510273,
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"formula_full": "Si2 Ag6",
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"updated_at": "2021-11-28T01:40:03.292000Z",
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{
"id": "mp-673129",
"created_at": "2022-09-04T14:45:25.881205Z",
"structure_string": "Sn2 P6 O18\n1.0\n3.362589 -5.824174 0.000000\n3.362589 5.824174 0.000000\n0.000000 0.000000 10.294635\nSn P O\n2 6 18\ndirect\n0.666667 0.333333 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.568118 0.941243 0.250000 P\n0.058757 0.431882 0.750000 P\n0.568118 0.626875 0.750000 P\n0.373125 0.431882 0.250000 P\n0.373125 0.941243 0.750000 P\n0.058757 0.626875 0.250000 P\n0.299178 0.864445 0.250000 O\n0.934154 0.609969 0.375060 O\n0.934154 0.324185 0.875060 O\n0.675815 0.065846 0.124940 O\n0.390031 0.324185 0.124940 O\n0.565267 0.700822 0.250000 O\n0.934154 0.609969 0.124940 O\n0.675815 0.609969 0.624940 O\n0.390031 0.324185 0.375060 O\n0.934154 0.324185 0.624940 O\n0.390031 0.065846 0.875060 O\n0.135555 0.700822 0.750000 O\n0.390031 0.065846 0.624940 O\n0.675815 0.065846 0.375060 O\n0.299178 0.434733 0.750000 O\n0.135555 0.434733 0.250000 O\n0.565267 0.864445 0.750000 O\n0.675815 0.609969 0.875060 O\n",
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"formula_full": "Sn2 P6 O18",
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{
"id": "mp-567949",
"created_at": "2022-09-04T14:47:19.824697Z",
"structure_string": "Hg6 As2 Se8 Br2\n1.0\n3.938452 -6.821600 0.000000\n3.938452 6.821600 0.000000\n0.000000 0.000000 10.349617\nHg As Se Br\n6 2 8 2\ndirect\n0.499679 0.500321 0.238482 Hg\n0.500321 0.000641 0.738482 Hg\n0.500321 0.499679 0.738482 Hg\n0.000641 0.500321 0.238482 Hg\n0.499679 0.999359 0.238482 Hg\n0.999359 0.499679 0.738482 Hg\n0.000000 0.000000 0.233319 As\n0.000000 0.000000 0.733319 As\n0.848993 0.697986 0.360460 Se\n0.333333 0.666667 0.111146 Se\n0.151007 0.848993 0.860460 Se\n0.151007 0.302014 0.860460 Se\n0.697986 0.848993 0.860460 Se\n0.848993 0.151007 0.360460 Se\n0.666667 0.333333 0.611146 Se\n0.302014 0.151007 0.360460 Se\n0.333333 0.666667 0.542809 Br\n0.666667 0.333333 0.042809 Br\n",
"nsites": 18,
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"elements": [
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"Br"
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"density": 6.404485316487483,
"density_atomic": 0.03236729634498553,
"volume": 556.116884405411,
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"formula_full": "Hg6 As2 Se8 Br2",
"formula_reduced": "Hg3AsSe4Br",
"formula_anonymous": "ABC3D4",
"energy": -51.65488895,
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"spacegroup": 186
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{
"id": "mp-22812",
"created_at": "2022-09-04T14:48:09.182006Z",
"structure_string": "In8 Ir4\n1.0\n0.000000 4.957755 9.070551\n2.739628 0.000000 9.070551\n2.739628 4.957755 0.000000\nIn Ir\n8 4\ndirect\n0.592954 0.907046 0.592954 In\n0.907046 0.592954 0.907046 In\n0.914507 0.914507 0.085493 In\n0.342954 0.657046 0.342954 In\n0.085493 0.085493 0.914507 In\n0.164507 0.164507 0.335493 In\n0.657046 0.342954 0.657046 In\n0.335493 0.335493 0.164507 In\n0.620160 0.620160 0.879840 Ir\n0.370160 0.370160 0.629840 Ir\n0.879840 0.879840 0.620160 Ir\n0.629840 0.629840 0.370160 Ir\n",
"nsites": 12,
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"elements": [
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"density": 11.371818201688649,
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"volume": 246.39978390030507,
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"formula_full": "In8 Ir4",
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{
"id": "mp-1080152",
"created_at": "2022-09-04T14:40:42.104954Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n1.627764 -2.819369 0.000000\n1.627764 2.819369 0.000000\n0.000000 0.000000 36.557510\nMo W Se S\n1 3 4 4\ndirect\n0.000000 0.000000 0.093916 Mo\n0.000000 0.000000 0.469679 W\n0.333333 0.666667 0.281797 W\n0.333333 0.666667 0.657605 W\n0.000000 0.000000 0.704292 Se\n0.333333 0.666667 0.422922 Se\n0.333333 0.666667 0.516320 Se\n0.000000 0.000000 0.610832 Se\n0.000000 0.000000 0.324192 S\n0.333333 0.666667 0.051650 S\n0.333333 0.666667 0.136168 S\n0.000000 0.000000 0.239373 S\n",
"nsites": 12,
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"elements": [
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"formula_full": "Mo1 W3 Se4 S4",
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{
"id": "mp-1189871",
"created_at": "2022-09-04T14:41:37.320548Z",
"structure_string": "Zr10 Sn6 N2\n1.0\n4.244016 -7.350851 0.000000\n4.244016 7.350851 0.000000\n0.000000 0.000000 5.813558\nZr Sn N\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.779704 0.779704 0.750000 Zr\n0.220296 0.000000 0.750000 Zr\n0.000000 0.220296 0.750000 Zr\n0.220296 0.220296 0.250000 Zr\n0.779704 0.000000 0.250000 Zr\n0.000000 0.779704 0.250000 Zr\n0.405193 0.405193 0.750000 Sn\n0.594807 0.000000 0.750000 Sn\n0.000000 0.594807 0.750000 Sn\n0.594807 0.594807 0.250000 Sn\n0.405193 0.000000 0.250000 Sn\n0.000000 0.405193 0.250000 Sn\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
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{
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"structure_string": "Hf1 Mg15\n1.0\n3.206593 -5.553983 0.000000\n3.206593 5.553983 0.000000\n0.000000 0.000000 10.175798\nHf Mg\n1 15\ndirect\n0.666667 0.333333 0.000000 Hf\n0.666667 0.333333 0.500000 Mg\n0.168357 0.336713 0.000000 Mg\n0.166509 0.333018 0.500000 Mg\n0.168357 0.831643 0.000000 Mg\n0.166509 0.833491 0.500000 Mg\n0.663287 0.831643 0.000000 Mg\n0.666982 0.833491 0.500000 Mg\n0.995845 0.497923 0.248233 Mg\n0.995845 0.497923 0.751767 Mg\n0.502077 0.497923 0.248233 Mg\n0.502077 0.497923 0.751767 Mg\n0.502077 0.004155 0.248233 Mg\n0.502077 0.004155 0.751767 Mg\n0.000000 0.000000 0.248738 Mg\n0.000000 0.000000 0.751262 Mg\n",
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{
"id": "mp-1813048",
"created_at": "2022-09-04T14:48:14.644413Z",
"structure_string": "Ba2 Mg3 Tl2 Cu4 O12\n1.0\n3.781917 0.000000 -0.348250\n-0.032068 3.781781 -0.348250\n0.026960 0.027189 21.002257\nBa Mg Tl Cu O\n2 3 2 4 12\ndirect\n0.153255 0.153255 0.306509 Ba\n0.846745 0.846745 0.693491 Ba\n0.072569 0.072569 0.145137 Mg\n0.927431 0.927431 0.854863 Mg\n0.000000 0.000000 0.000000 Mg\n0.721816 0.721816 0.443631 Tl\n0.278184 0.278184 0.556369 Tl\n0.535843 0.535843 0.071686 Cu\n0.396732 0.396732 0.793464 Cu\n0.603268 0.603268 0.206536 Cu\n0.464157 0.464157 0.928314 Cu\n0.397602 0.897602 0.795204 O\n0.533910 0.033910 0.067821 O\n0.227025 0.227025 0.454049 O\n0.966090 0.466090 0.932179 O\n0.772975 0.772975 0.545951 O\n0.102398 0.602398 0.204796 O\n0.602398 0.102398 0.204796 O\n0.327870 0.327870 0.655740 O\n0.897602 0.397602 0.795204 O\n0.033910 0.533910 0.067821 O\n0.466090 0.966090 0.932179 O\n0.672130 0.672130 0.344260 O\n",
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{
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{
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{
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]
}