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"results": [
{
"id": "mp-1245236",
"created_at": "2022-09-04T14:48:16.294051Z",
"structure_string": "Zn50 S50\n1.0\n13.581037 0.050392 0.460622\n0.038832 13.318602 -0.312198\n0.456497 -0.282759 13.252382\nZn S\n50 50\ndirect\n0.397645 0.017613 0.073406 Zn\n0.488381 0.306152 0.470371 Zn\n0.739230 0.003166 0.741900 Zn\n0.629447 0.065601 0.982198 Zn\n0.301911 0.295703 0.451046 Zn\n0.679653 0.691299 0.187934 Zn\n0.751323 0.119438 0.253749 Zn\n0.045898 0.124322 0.368167 Zn\n0.856243 0.643218 0.752734 Zn\n0.076285 0.958407 0.178086 Zn\n0.767361 0.223353 0.883363 Zn\n0.767671 0.542667 0.992343 Zn\n0.276846 0.620937 0.619535 Zn\n0.813727 0.871629 0.989923 Zn\n0.628774 0.785363 0.603008 Zn\n0.743506 0.331767 0.106985 Zn\n0.429723 0.581810 0.095809 Zn\n0.072884 0.961851 0.735122 Zn\n0.005407 0.383587 0.997913 Zn\n0.036196 0.671241 0.716061 Zn\n0.115425 0.694079 0.129455 Zn\n0.238798 0.859025 0.970148 Zn\n0.606301 0.274443 0.668593 Zn\n0.199704 0.999391 0.556664 Zn\n0.811133 0.561776 0.505686 Zn\n0.940500 0.783207 0.116287 Zn\n0.575977 0.345394 0.864576 Zn\n0.133511 0.348297 0.622646 Zn\n0.891446 0.209299 0.608578 Zn\n0.437731 0.264798 0.782723 Zn\n0.788181 0.316597 0.393218 Zn\n0.314662 0.011288 0.804684 Zn\n0.877149 0.041767 0.142294 Zn\n0.222923 0.145554 0.127348 Zn\n0.440046 0.659953 0.788530 Zn\n0.506018 0.886870 0.867094 Zn\n0.755132 0.971860 0.467600 Zn\n0.149379 0.535184 0.410935 Zn\n0.234993 0.520320 0.895352 Zn\n0.319251 0.034186 0.323475 Zn\n0.996548 0.651145 0.987202 Zn\n0.555031 0.930486 0.385656 Zn\n0.274415 0.341754 0.719993 Zn\n0.044948 0.793882 0.359616 Zn\n0.173298 0.823472 0.572119 Zn\n0.921488 0.527313 0.241933 Zn\n0.974819 0.493467 0.737625 Zn\n0.204902 0.455674 0.126155 Zn\n0.382714 0.218124 0.611096 Zn\n0.418333 0.718155 0.356162 Zn\n0.537790 0.933524 0.031534 S\n0.690676 0.285267 0.258476 S\n0.889847 0.457554 0.401423 S\n0.263786 0.033804 0.976483 S\n0.304172 0.581452 0.334266 S\n0.785285 0.025557 0.912104 S\n0.204230 0.842984 0.141015 S\n0.058826 0.637465 0.299398 S\n0.469263 0.086058 0.783144 S\n0.977326 0.327594 0.699940 S\n0.064403 0.517313 0.890299 S\n0.839478 0.691623 0.921609 S\n0.100192 0.808831 0.794698 S\n0.325412 0.354879 0.910620 S\n0.766610 0.671046 0.623898 S\n0.041749 0.419330 0.163032 S\n0.977855 0.934701 0.032484 S\n0.621800 0.240174 0.994995 S\n0.354383 0.821126 0.832580 S\n0.099758 0.247350 0.934355 S\n0.670099 0.817821 0.438135 S\n0.839428 0.366810 0.963059 S\n0.371278 0.137964 0.200387 S\n0.988264 0.941871 0.341126 S\n0.216031 0.290429 0.012826 S\n0.207308 0.118896 0.436764 S\n0.511783 0.686580 0.205278 S\n0.635085 0.357756 0.521151 S\n0.393738 0.456036 0.308872 S\n0.127981 0.650510 0.558436 S\n0.769235 0.541223 0.166350 S\n0.638228 0.867250 0.756177 S\n0.516668 0.654415 0.621694 S\n0.197381 0.080729 0.716516 S\n0.850870 0.941192 0.606027 S\n0.888611 0.179930 0.437515 S\n0.969633 0.037519 0.627749 S\n0.777164 0.827367 0.159995 S\n0.148916 0.369273 0.444962 S\n0.400092 0.717091 0.548059 S\n0.521757 0.618892 0.935030 S\n0.394332 0.894932 0.373689 S\n0.745784 0.182597 0.715943 S\n0.257477 0.603273 0.048850 S\n0.381801 0.418383 0.156646 S\n0.646354 0.073666 0.393341 S\n0.504131 0.092229 0.626008 S\n0.632598 0.513271 0.890346 S\n0.327851 0.530950 0.744811 S\n0.066149 0.135259 0.191847 S\n",
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"elements": [
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"density": 3.3818512427536533,
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"volume": 2393.0589100361394,
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"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
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"energy": -333.21197957,
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"updated_at": "2021-11-28T01:40:09.091000Z",
"spacegroup": 1
},
{
"id": "mp-631331",
"created_at": "2022-09-04T14:48:16.329698Z",
"structure_string": "Si2 Hg1 Te1\n1.0\n0.000000 3.522773 3.522773\n3.522773 0.000000 3.522773\n3.522773 3.522773 0.000000\nSi Hg Te\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
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"density_atomic": 0.04574841145649919,
"volume": 87.4347299206986,
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"formula_full": "Si2 Hg1 Te1",
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"updated_at": "2021-11-28T01:40:09.288000Z",
"spacegroup": 225
},
{
"id": "mp-3463",
"created_at": "2022-09-04T14:48:16.482581Z",
"structure_string": "Ca2 Ti4 O8\n1.0\n1.538833 -4.912189 0.000000\n1.538833 4.912189 0.000000\n0.000000 0.000000 10.147750\nCa Ti O\n2 4 8\ndirect\n0.620165 0.379835 0.750000 Ca\n0.379835 0.620165 0.250000 Ca\n0.124122 0.875878 0.064648 Ti\n0.875878 0.124122 0.935352 Ti\n0.124122 0.875878 0.435352 Ti\n0.875878 0.124122 0.564648 Ti\n0.767022 0.232978 0.393480 O\n0.232978 0.767022 0.606520 O\n0.232978 0.767022 0.893480 O\n0.767022 0.232978 0.106520 O\n0.061710 0.938290 0.250000 O\n0.938290 0.061710 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 4.325428416806857,
"density_atomic": 0.09125606150866432,
"volume": 153.4144665959616,
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"formula_full": "Ca2 Ti4 O8",
"formula_reduced": "CaTi2O4",
"formula_anonymous": "AB2C4",
"energy": -122.02615705,
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"updated_at": "2021-11-28T01:40:05.161000Z",
"spacegroup": 63
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{
"id": "mp-1210583",
"created_at": "2022-09-04T14:48:16.162586Z",
"structure_string": "Nd46 Cd8 Ni14\n1.0\n4.971681 -8.611205 0.000000\n4.971681 8.611205 0.000000\n0.000000 0.000000 22.527765\nNd Cd Ni\n46 8 14\ndirect\n0.206666 0.413333 0.719637 Nd\n0.206666 0.793334 0.719637 Nd\n0.793334 0.586667 0.219637 Nd\n0.586667 0.793334 0.719637 Nd\n0.793334 0.206666 0.219637 Nd\n0.413333 0.206666 0.219637 Nd\n0.792908 0.585816 0.947245 Nd\n0.792908 0.207092 0.947245 Nd\n0.207092 0.414184 0.447245 Nd\n0.414184 0.207092 0.947245 Nd\n0.207092 0.792908 0.447245 Nd\n0.585816 0.792908 0.447245 Nd\n0.210790 0.421581 0.990493 Nd\n0.210790 0.789210 0.990493 Nd\n0.789210 0.578419 0.490493 Nd\n0.578419 0.789210 0.990493 Nd\n0.789210 0.210790 0.490493 Nd\n0.421581 0.210790 0.490493 Nd\n0.872820 0.745640 0.633797 Nd\n0.872820 0.127180 0.633797 Nd\n0.127180 0.254360 0.133797 Nd\n0.254360 0.127180 0.633797 Nd\n0.127180 0.872820 0.133797 Nd\n0.745640 0.872820 0.133797 Nd\n0.457524 0.915048 0.855918 Nd\n0.457524 0.542476 0.855918 Nd\n0.542476 0.084952 0.355918 Nd\n0.084952 0.542476 0.855918 Nd\n0.542476 0.457524 0.355918 Nd\n0.915048 0.457524 0.355918 Nd\n0.000000 0.000000 0.999398 Nd\n0.000000 0.000000 0.499398 Nd\n0.460396 0.920792 0.585666 Nd\n0.460396 0.539604 0.585666 Nd\n0.539604 0.079208 0.085666 Nd\n0.079208 0.539604 0.585666 Nd\n0.539604 0.460396 0.085666 Nd\n0.920792 0.460396 0.085666 Nd\n0.796538 0.593076 0.782308 Nd\n0.796538 0.203462 0.782308 Nd\n0.203462 0.406924 0.282308 Nd\n0.406924 0.203462 0.782308 Nd\n0.203462 0.796538 0.282308 Nd\n0.593076 0.796538 0.282308 Nd\n0.666667 0.333333 0.645486 Nd\n0.333333 0.666667 0.145486 Nd\n0.000000 0.000000 0.749194 Cd\n0.000000 0.000000 0.249194 Cd\n0.106685 0.213369 0.863155 Cd\n0.106685 0.893315 0.863155 Cd\n0.893315 0.786631 0.363155 Cd\n0.786631 0.893315 0.863155 Cd\n0.893315 0.106685 0.363155 Cd\n0.213369 0.106685 0.363155 Cd\n0.521317 0.042633 0.710434 Ni\n0.521317 0.478683 0.710434 Ni\n0.478683 0.957367 0.210434 Ni\n0.957367 0.478683 0.710434 Ni\n0.478683 0.521317 0.210434 Ni\n0.042633 0.521317 0.210434 Ni\n0.666667 0.333333 0.863214 Ni\n0.333333 0.666667 0.363214 Ni\n0.142755 0.285511 0.564490 Ni\n0.142755 0.857245 0.564490 Ni\n0.857245 0.714489 0.064490 Ni\n0.714489 0.857245 0.564490 Ni\n0.857245 0.142755 0.064490 Ni\n0.285511 0.142755 0.064490 Ni\n",
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],
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"density": 7.193477251249793,
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"volume": 1928.9247523350045,
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"formula_full": "Nd46 Cd8 Ni14",
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"energy": -323.44671039,
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"updated_at": "2021-11-28T01:40:06.479000Z",
"spacegroup": 186
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{
"id": "mp-1177891",
"created_at": "2022-09-04T14:48:16.169170Z",
"structure_string": "Li8 Mn4 V12 O32\n1.0\n5.999703 -5.989849 0.000000\n5.999703 5.989849 0.000000\n0.019692 0.000000 8.477874\nLi Mn V O\n8 4 12 32\ndirect\n0.873438 0.123070 0.371733 Li\n0.751279 0.247490 0.751595 Li\n0.249098 0.249098 0.249098 Li\n0.123070 0.371733 0.873438 Li\n0.628787 0.628787 0.628787 Li\n0.751595 0.751279 0.247490 Li\n0.247490 0.751595 0.751279 Li\n0.371733 0.873438 0.123070 Li\n0.500696 0.995626 0.498798 Mn\n0.498798 0.500696 0.995626 Mn\n0.995626 0.498798 0.500696 Mn\n0.001538 0.001538 0.001538 Mn\n0.620818 0.122403 0.125348 V\n0.377312 0.123344 0.874850 V\n0.122403 0.125348 0.620818 V\n0.874850 0.377312 0.123344 V\n0.622787 0.371299 0.385374 V\n0.371299 0.385374 0.622787 V\n0.878026 0.623320 0.878326 V\n0.125348 0.620818 0.122403 V\n0.385374 0.622787 0.371299 V\n0.623320 0.878326 0.878026 V\n0.878326 0.878026 0.623320 V\n0.123344 0.874850 0.377312 V\n0.129516 0.105163 0.399411 O\n0.892307 0.099795 0.629370 O\n0.613402 0.114494 0.885724 O\n0.399411 0.129516 0.105163 O\n0.145254 0.120803 0.851147 O\n0.363608 0.145547 0.632901 O\n0.628492 0.138435 0.354788 O\n0.851147 0.145254 0.120803 O\n0.138435 0.354788 0.628492 O\n0.372633 0.352414 0.854690 O\n0.632901 0.363608 0.145547 O\n0.854690 0.372633 0.352414 O\n0.612040 0.371125 0.598586 O\n0.384956 0.384956 0.384956 O\n0.105163 0.399411 0.129516 O\n0.865194 0.393055 0.901909 O\n0.371125 0.598586 0.612040 O\n0.598586 0.612040 0.371125 O\n0.885724 0.613402 0.114494 O\n0.099795 0.629370 0.892307 O\n0.354788 0.628492 0.138435 O\n0.145547 0.632901 0.363608 O\n0.874634 0.647644 0.645458 O\n0.647644 0.645458 0.874634 O\n0.352414 0.854690 0.372633 O\n0.120803 0.851147 0.145254 O\n0.862383 0.862383 0.862383 O\n0.645458 0.874634 0.647644 O\n0.901909 0.865194 0.393055 O\n0.114494 0.885724 0.613402 O\n0.393055 0.901909 0.865194 O\n0.629370 0.892307 0.099795 O\n",
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"formula_full": "Li8 Mn4 V12 O32",
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"spacegroup": 146
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{
"id": "mp-1057015",
"created_at": "2022-09-04T14:48:16.190120Z",
"structure_string": "Pb1 S1\n1.0\n3.693328 -2.122348 0.000000\n3.693328 2.122348 0.000000\n2.473734 0.000000 3.467805\nPb S\n1 1\ndirect\n0.984655 0.984655 0.984655 Pb\n0.470945 0.470945 0.470945 S\n",
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{
"id": "mp-756515",
"created_at": "2022-09-04T14:48:16.202820Z",
"structure_string": "Li4 Nb1 Te3 O12\n1.0\n8.934690 0.000000 0.000000\n0.000000 5.051792 0.000000\n0.000000 0.040788 5.355029\nLi Nb Te O\n4 1 3 12\ndirect\n0.310742 0.000000 0.000000 Li\n0.169323 0.500000 0.000000 Li\n0.692887 0.000000 0.500000 Li\n0.801059 0.500000 0.500000 Li\n0.897942 0.000000 0.000000 Nb\n0.592949 0.500000 0.000000 Te\n0.083024 0.000000 0.500000 Te\n0.397449 0.500000 0.500000 Te\n0.741684 0.263381 0.853361 O\n0.431684 0.286100 0.846845 O\n0.062577 0.209643 0.829250 O\n0.584417 0.699499 0.684799 O\n0.900802 0.803432 0.674923 O\n0.235608 0.764919 0.671263 O\n0.235608 0.235081 0.328737 O\n0.900802 0.196568 0.325077 O\n0.584417 0.300501 0.315201 O\n0.062577 0.790357 0.170750 O\n0.431684 0.713900 0.153155 O\n0.741684 0.736619 0.146639 O\n",
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"formula_full": "Li4 Nb1 Te3 O12",
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{
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"structure_string": "Ta1 C1\n1.0\n0.000000 2.241038 2.241038\n2.241038 0.000000 2.241038\n2.241038 2.241038 0.000000\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 C\n",
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