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{
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"results": [
{
"id": "mp-3751",
"created_at": "2022-09-04T14:41:47.061057Z",
"structure_string": "Al2 Tl2 F8\n1.0\n2.586322 6.955043 0.000000\n-2.586322 6.955043 0.000000\n0.000000 1.914248 4.840357\nAl Tl F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.256615 0.743385 0.250000 Tl\n0.743385 0.256615 0.750000 Tl\n0.307166 0.919652 0.640123 F\n0.080348 0.692834 0.859877 F\n0.692834 0.080348 0.359877 F\n0.919652 0.307166 0.140123 F\n0.757561 0.704988 0.742707 F\n0.295012 0.242439 0.757293 F\n0.242439 0.295012 0.257293 F\n0.704988 0.757561 0.242707 F\n",
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"formula_full": "Al2 Tl2 F8",
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"spacegroup": 15
},
{
"id": "mp-1232322",
"created_at": "2022-09-04T14:41:47.068547Z",
"structure_string": "Tm8 Mg4 S16\n1.0\n7.836886 0.000000 0.000000\n0.000000 7.297286 0.000000\n0.000000 0.000000 11.303227\nTm Mg S\n8 4 16\ndirect\n0.045031 0.750000 0.306096 Tm\n0.954969 0.250000 0.693904 Tm\n0.454969 0.250000 0.806096 Tm\n0.545031 0.750000 0.193904 Tm\n0.064287 0.250000 0.015205 Tm\n0.935713 0.750000 0.984795 Tm\n0.435713 0.750000 0.515205 Tm\n0.564287 0.250000 0.484795 Tm\n0.174960 0.250000 0.401585 Mg\n0.825040 0.750000 0.598415 Mg\n0.325040 0.750000 0.901585 Mg\n0.674960 0.250000 0.098415 Mg\n0.120670 0.504743 0.841123 S\n0.879330 0.495257 0.158877 S\n0.379330 0.495257 0.341123 S\n0.620670 0.504743 0.658877 S\n0.620670 0.995257 0.658877 S\n0.379330 0.004743 0.341123 S\n0.879330 0.004743 0.158877 S\n0.120670 0.995257 0.841123 S\n0.888059 0.250000 0.461255 S\n0.111941 0.750000 0.538745 S\n0.611941 0.750000 0.961255 S\n0.388059 0.250000 0.038745 S\n0.229126 0.750000 0.109236 S\n0.770874 0.250000 0.890764 S\n0.270874 0.250000 0.609236 S\n0.729126 0.750000 0.390764 S\n",
"nsites": 28,
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"elements": [
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"Mg",
"S"
],
"chemical_system": "Mg-S-Tm",
"density": 5.0394344348549085,
"density_atomic": 0.043316233362690686,
"volume": 646.4089286239065,
"volume_molar": 13.90273413104985,
"formula_full": "Tm8 Mg4 S16",
"formula_reduced": "Tm2MgS4",
"formula_anonymous": "AB2C4",
"energy": -162.19088003,
"energy_per_atom": -5.792531429642857,
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"updated_at": "2021-11-28T01:35:26.367000Z",
"spacegroup": 62
},
{
"id": "mp-1293023",
"created_at": "2022-09-04T14:41:47.072193Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n-2.982305 5.150750 -0.006218\n-2.965810 -1.719309 9.782252\n2.969929 5.143487 -0.001208\nLi Mn V O\n4 2 6 16\ndirect\n0.306307 0.563714 0.380943 Li\n0.813955 0.065069 0.380999 Li\n0.194228 0.936016 0.616904 Li\n0.685847 0.434831 0.619387 Li\n0.750664 0.749285 0.499476 Mn\n0.248863 0.250357 0.501133 Mn\n0.249556 0.750238 0.001045 V\n0.751325 0.749271 0.999410 V\n0.993907 0.501027 0.001172 V\n0.750175 0.250445 0.001073 V\n0.250230 0.249697 0.999785 V\n0.506984 0.999591 0.996560 V\n0.091824 0.636467 0.789336 O\n0.616537 0.136159 0.791240 O\n0.411018 0.865256 0.207545 O\n0.882329 0.362795 0.209954 O\n0.870158 0.857548 0.249147 O\n0.384953 0.356929 0.250702 O\n0.095779 0.632543 0.247048 O\n0.601713 0.134923 0.245430 O\n0.643826 0.638889 0.252170 O\n0.153785 0.137149 0.247077 O\n0.855072 0.860435 0.746531 O\n0.345114 0.363471 0.755694 O\n0.408293 0.867592 0.751904 O\n0.893426 0.364943 0.757100 O\n0.629585 0.642458 0.750933 O\n0.114543 0.142900 0.750307 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.8740194187234693,
"density_atomic": 0.09341571381258099,
"volume": 299.73543911655076,
"volume_molar": 6.446603589715281,
"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy": -226.73215029,
"energy_per_atom": -8.097576796071428,
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"updated_at": "2021-11-28T01:35:25.279000Z",
"spacegroup": 15
},
{
"id": "mp-1245559",
"created_at": "2022-09-04T14:41:47.074056Z",
"structure_string": "Cd16 Si16 N32\n1.0\n5.313359 0.000000 0.000000\n0.000000 10.643691 0.000000\n0.000000 0.000000 13.873016\nCd Si N\n16 16 32\ndirect\n0.726705 0.977698 0.438592 Cd\n0.226705 0.522302 0.561408 Cd\n0.273295 0.477698 0.061408 Cd\n0.773295 0.022302 0.938592 Cd\n0.273295 0.022302 0.561408 Cd\n0.773295 0.477698 0.438592 Cd\n0.726705 0.522302 0.938592 Cd\n0.226705 0.977698 0.061408 Cd\n0.791304 0.255816 0.312000 Cd\n0.291304 0.244184 0.688000 Cd\n0.208696 0.755816 0.188000 Cd\n0.708696 0.744184 0.812000 Cd\n0.208696 0.744184 0.688000 Cd\n0.708696 0.755816 0.312000 Cd\n0.791304 0.244184 0.812000 Cd\n0.291304 0.255816 0.188000 Cd\n0.690357 0.022098 0.187357 Si\n0.190357 0.477902 0.812643 Si\n0.309643 0.522098 0.312643 Si\n0.809643 0.977902 0.687357 Si\n0.309643 0.977902 0.812643 Si\n0.809643 0.522098 0.187357 Si\n0.690357 0.477902 0.687357 Si\n0.190357 0.022098 0.312643 Si\n0.787161 0.277245 0.061769 Si\n0.287161 0.222755 0.938231 Si\n0.212839 0.777245 0.438231 Si\n0.712839 0.722755 0.561769 Si\n0.212839 0.722755 0.938231 Si\n0.712839 0.777245 0.061769 Si\n0.787161 0.222755 0.561769 Si\n0.287161 0.277245 0.438231 Si\n0.623660 0.483406 0.287121 N\n0.123660 0.016594 0.712879 N\n0.376340 0.983406 0.212879 N\n0.876340 0.516594 0.787121 N\n0.376340 0.516594 0.712879 N\n0.876340 0.983406 0.287121 N\n0.623660 0.016594 0.787121 N\n0.123660 0.483406 0.212879 N\n0.613461 0.267380 0.460386 N\n0.113461 0.232620 0.539614 N\n0.386539 0.767380 0.039614 N\n0.886539 0.732620 0.960386 N\n0.386539 0.732620 0.539614 N\n0.886539 0.767380 0.460386 N\n0.613461 0.232620 0.960386 N\n0.113461 0.267380 0.039614 N\n0.711308 0.435417 0.086392 N\n0.211308 0.064583 0.913608 N\n0.288692 0.935417 0.413608 N\n0.788692 0.564583 0.586392 N\n0.288692 0.564583 0.913608 N\n0.788692 0.935417 0.086392 N\n0.711308 0.064583 0.586392 N\n0.211308 0.435417 0.413608 N\n0.704835 0.185099 0.162315 N\n0.204835 0.314901 0.837685 N\n0.295165 0.685099 0.337685 N\n0.795165 0.814901 0.662315 N\n0.295165 0.814901 0.837685 N\n0.795165 0.685099 0.162315 N\n0.704835 0.314901 0.662315 N\n0.204835 0.185099 0.337685 N\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Cd",
"Si",
"N"
],
"chemical_system": "Cd-N-Si",
"density": 5.706399798180804,
"density_atomic": 0.08157323179078764,
"volume": 784.5710975892431,
"volume_molar": 7.382496227984561,
"formula_full": "Cd16 Si16 N32",
"formula_reduced": "CdSiN2",
"formula_anonymous": "ABC2",
"energy": -411.24294093,
"energy_per_atom": -6.42567095203125,
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"updated_at": "2021-11-28T01:35:23.315000Z",
"spacegroup": 61
},
{
"id": "mp-1206110",
"created_at": "2022-09-04T14:41:47.077424Z",
"structure_string": "Mn1 Cu1 Pt6\n1.0\n0.000000 3.918789 3.918789\n3.918789 0.000000 3.918789\n3.918789 3.918789 0.000000\nMn Cu Pt\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 8,
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"elements": [
"Mn",
"Cu",
"Pt"
],
"chemical_system": "Cu-Mn-Pt",
"density": 17.783299806177777,
"density_atomic": 0.06646673570791266,
"volume": 120.36095822662199,
"volume_molar": 9.06038290561497,
"formula_full": "Mn1 Cu1 Pt6",
"formula_reduced": "MnCuPt6",
"formula_anonymous": "ABC6",
"energy": -51.22505686,
"energy_per_atom": -6.4031321075,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:26.381000Z",
"spacegroup": 225
},
{
"id": "mp-1217085",
"created_at": "2022-09-04T14:41:47.965430Z",
"structure_string": "Ti1 Mn1 Ni4 Sn2\n1.0\n7.106305 -2.154459 0.000000\n7.106305 2.154459 0.000000\n6.453125 0.000000 3.674023\nTi Mn Ni Sn\n1 1 4 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.622965 0.622965 0.622965 Ni\n0.127000 0.127000 0.127000 Ni\n0.873000 0.873000 0.873000 Ni\n0.377035 0.377035 0.377035 Ni\n0.251702 0.251702 0.251702 Sn\n0.748298 0.748298 0.748298 Sn\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"Ni",
"Sn"
],
"chemical_system": "Mn-Ni-Sn-Ti",
"density": 8.487151903426145,
"density_atomic": 0.07111087843568326,
"volume": 112.50036810100241,
"volume_molar": 8.46866315320063,
"formula_full": "Ti1 Mn1 Ni4 Sn2",
"formula_reduced": "TiMn(Ni2Sn)2",
"formula_anonymous": "ABC2D4",
"energy": -50.52490088,
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"updated_at": "2021-11-28T01:35:28.496000Z",
"spacegroup": 166
},
{
"id": "mp-1233305",
"created_at": "2022-09-04T14:41:47.083066Z",
"structure_string": "K2 Mg1 Mn2 P6 H2 O20\n1.0\n7.178562 0.063061 0.041687\n2.480115 6.821246 0.124834\n2.620865 2.180767 9.343727\nK Mg Mn P H O\n2 1 2 6 2 20\ndirect\n0.410642 0.588902 0.338548 K\n0.589358 0.411098 0.661452 K\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.279240 0.139904 0.191334 P\n0.150320 0.300419 0.701864 P\n0.173352 0.857060 0.786999 P\n0.826648 0.142940 0.213001 P\n0.849680 0.699581 0.298136 P\n0.720760 0.860096 0.808666 P\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.042638 0.180815 0.177891 O\n0.966831 0.403975 0.624380 O\n0.304475 0.345362 0.093948 O\n0.116394 0.082542 0.802547 O\n0.293328 0.099117 0.345572 O\n0.154123 0.401954 0.812866 O\n0.347207 0.263323 0.593352 O\n0.269377 0.710170 0.913518 O\n0.403725 0.962278 0.120561 O\n0.709903 0.168252 0.359286 O\n0.290097 0.831748 0.640714 O\n0.596275 0.037722 0.879439 O\n0.730623 0.289830 0.086482 O\n0.652793 0.736677 0.406648 O\n0.845877 0.598046 0.187134 O\n0.706672 0.900883 0.654428 O\n0.883606 0.917458 0.197453 O\n0.695525 0.654638 0.906052 O\n0.033169 0.596025 0.375620 O\n0.957362 0.819185 0.822109 O\n",
"nsites": 33,
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"elements": [
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"Mg",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-K-Mg-Mn-O-P",
"density": 2.636497624008316,
"density_atomic": 0.07274858522475448,
"volume": 453.61706895120403,
"volume_molar": 8.27801769806902,
"formula_full": "K2 Mg1 Mn2 P6 H2 O20",
"formula_reduced": "K2MgMn2P6(HO10)2",
"formula_anonymous": "AB2C2D2E6F20",
"energy": -243.25852575,
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"updated_at": "2021-11-28T01:35:24.085000Z",
"spacegroup": 2
},
{
"id": "mp-685196",
"created_at": "2022-09-04T14:41:47.084704Z",
"structure_string": "Tl4 Ag32 Te22\n1.0\n10.600772 -0.035950 11.264681\n4.469811 9.607500 11.225354\n0.004623 -0.059771 15.500224\nTl Ag Te\n4 32 22\ndirect\n0.190831 0.195968 0.191264 Tl\n0.298700 0.306210 0.309468 Tl\n0.704374 0.694292 0.692603 Tl\n0.809777 0.803758 0.791477 Tl\n0.375879 0.101556 0.600937 Ag\n0.183010 0.811794 0.234995 Ag\n0.384846 0.394052 0.384861 Ag\n0.597801 0.396824 0.091801 Ag\n0.311368 0.277630 0.681552 Ag\n0.482612 0.736783 0.021021 Ag\n0.105586 0.901144 0.409806 Ag\n0.747994 0.010241 0.486629 Ag\n0.818629 0.232330 0.178975 Ag\n0.401930 0.114273 0.904201 Ag\n0.099728 0.592389 0.884434 Ag\n0.604974 0.611874 0.196271 Ag\n0.389203 0.395316 0.796351 Ag\n0.400926 0.792635 0.388463 Ag\n0.907433 0.400338 0.110923 Ag\n0.594860 0.890924 0.093856 Ag\n0.175282 0.773550 0.823524 Ag\n0.245783 0.987267 0.513993 Ag\n0.792263 0.388169 0.399781 Ag\n0.891330 0.094120 0.592894 Ag\n0.512342 0.247793 0.986341 Ag\n0.775940 0.818698 0.181437 Ag\n0.396881 0.618420 0.910109 Ag\n0.618575 0.616714 0.610026 Ag\n0.822282 0.177114 0.775776 Ag\n0.987049 0.512841 0.251158 Ag\n0.617922 0.905051 0.397321 Ag\n0.308902 0.887730 0.889007 Ag\n0.910635 0.400622 0.612832 Ag\n0.893888 0.302799 0.885549 Ag\n0.902174 0.876917 0.309055 Ag\n0.884156 0.886766 0.884985 Ag\n0.043793 0.041645 0.045905 Te\n0.010856 0.252902 0.485496 Te\n0.251641 0.485114 0.013406 Te\n0.482708 0.012499 0.253141 Te\n0.126469 0.344376 0.619414 Te\n0.317739 0.611141 0.149184 Te\n0.612376 0.134314 0.334582 Te\n0.169902 0.368598 0.877261 Te\n0.462134 0.445667 0.453703 Te\n0.364320 0.880704 0.168087 Te\n0.124820 0.829114 0.627470 Te\n0.871858 0.169926 0.371200 Te\n0.631253 0.123092 0.827573 Te\n0.547244 0.546249 0.550745 Te\n0.833880 0.628931 0.121172 Te\n0.378415 0.871230 0.665623 Te\n0.664197 0.381199 0.871057 Te\n0.875778 0.664558 0.379553 Te\n0.509624 0.983526 0.757418 Te\n0.759623 0.520532 0.975179 Te\n0.983548 0.749150 0.513472 Te\n0.953258 0.953328 0.955284 Te\n",
"nsites": 58,
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"elements": [
"Tl",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tl",
"density": 7.414981980800687,
"density_atomic": 0.036599025991368654,
"volume": 1584.7416271044606,
"volume_molar": 16.454374390783606,
"formula_full": "Tl4 Ag32 Te22",
"formula_reduced": "Tl2Ag16Te11",
"formula_anonymous": "A2B11C16",
"energy": -181.34459797,
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"updated_at": "2021-11-28T01:35:23.260000Z",
"spacegroup": 1
},
{
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{
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{
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}