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{
"id": "mp-1184555",
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"structure_string": "Ge3 B1\n1.0\n0.000000 3.210126 3.210126\n3.210126 0.000000 3.210126\n3.210126 3.210126 0.000000\nGe B\n3 1\ndirect\n0.250000 0.250000 0.250000 Ge\n0.750000 0.750000 0.750000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 B\n",
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{
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{
"id": "mp-1209468",
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{
"id": "mp-731362",
"created_at": "2022-09-04T14:45:09.469585Z",
"structure_string": "W4 O20\n1.0\n4.001546 0.000000 0.000000\n0.000000 8.108591 0.000000\n0.000000 4.836837 12.251719\nW O\n4 20\ndirect\n0.433763 0.830280 0.312826 W\n0.933763 0.169720 0.187174 W\n0.566237 0.169720 0.687174 W\n0.066237 0.830280 0.812826 W\n0.258143 0.573706 0.352905 O\n0.758143 0.426294 0.147095 O\n0.741857 0.426294 0.647095 O\n0.241857 0.573706 0.852905 O\n0.595530 0.569347 0.355636 O\n0.095530 0.430653 0.144364 O\n0.404470 0.430653 0.644364 O\n0.904470 0.569347 0.855636 O\n0.449811 0.816251 0.447852 O\n0.949811 0.183749 0.052148 O\n0.550189 0.183749 0.552148 O\n0.050189 0.816251 0.947852 O\n0.938705 0.905568 0.283099 O\n0.438705 0.094432 0.216901 O\n0.061295 0.094432 0.716901 O\n0.561295 0.905568 0.783099 O\n0.460988 0.770855 0.173679 O\n0.960988 0.229145 0.326321 O\n0.539012 0.229145 0.826321 O\n0.039012 0.770855 0.673679 O\n",
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"spacegroup": 14
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{
"id": "mp-1245096",
"created_at": "2022-09-04T14:45:04.820887Z",
"structure_string": "V30 O75\n1.0\n12.993508 -0.531885 0.112210\n-0.560281 11.104043 -0.827404\n0.081069 -0.791005 12.027051\nV O\n30 75\ndirect\n0.911757 0.133445 0.752964 V\n0.916704 0.876483 0.872211 V\n0.697264 0.480184 0.788901 V\n0.880480 0.985608 0.246106 V\n0.662001 0.084543 0.095633 V\n0.361399 0.767124 0.609789 V\n0.601003 0.618173 0.296958 V\n0.561787 0.041094 0.546138 V\n0.900925 0.229599 0.485610 V\n0.259575 0.646899 0.104817 V\n0.399263 0.269284 0.541866 V\n0.037789 0.638918 0.083094 V\n0.121695 0.003101 0.760725 V\n0.374129 0.075551 0.754119 V\n0.145938 0.235451 0.418840 V\n0.149671 0.931329 0.171085 V\n0.848990 0.744149 0.264763 V\n0.452709 0.224893 0.957101 V\n0.640781 0.781774 0.848286 V\n0.676173 0.389343 0.989094 V\n0.817219 0.265883 0.226462 V\n0.141327 0.636338 0.531930 V\n0.943596 0.577850 0.717393 V\n0.565336 0.211031 0.366199 V\n0.623088 0.073081 0.821318 V\n0.228775 0.452196 0.309341 V\n0.985084 0.314778 0.005501 V\n0.505259 0.797907 0.105438 V\n0.487763 0.537268 0.715691 V\n0.432988 0.419254 0.144230 V\n0.354239 0.418586 0.279607 O\n0.882527 0.980345 0.776980 O\n0.746753 0.361886 0.852542 O\n0.370113 0.774229 0.097951 O\n0.592255 0.415321 0.709205 O\n0.369743 0.275769 0.077432 O\n0.693913 0.115996 0.521608 O\n0.993884 0.479170 0.046866 O\n0.539681 0.091317 0.699294 O\n0.248226 0.058426 0.812522 O\n0.553139 0.941863 0.140907 O\n0.757374 0.048734 0.183202 O\n0.150535 0.312744 0.291119 O\n0.409920 0.409436 0.629125 O\n0.120547 0.091130 0.386705 O\n0.430171 0.542346 0.834841 O\n0.047202 0.128820 0.739112 O\n0.492719 0.150830 0.238995 O\n0.751090 0.454302 0.090133 O\n0.914391 0.244750 0.868695 O\n0.207955 0.514075 0.450987 O\n0.837165 0.347509 0.507511 O\n0.147125 0.755634 0.146933 O\n0.202065 0.553559 0.222102 O\n0.533328 0.374871 0.030027 O\n0.441319 0.064932 0.894681 O\n0.620023 0.638192 0.760053 O\n0.816335 0.824041 0.163040 O\n0.006558 0.984399 0.208290 O\n0.861087 0.400497 0.282682 O\n0.501738 0.331212 0.434826 O\n0.034896 0.289982 0.495857 O\n0.556210 0.637818 0.422735 O\n-0.003336 0.499056 0.800008 O\n0.957700 0.669131 0.213514 O\n0.022867 0.580128 0.589758 O\n0.363630 0.762323 0.475444 O\n0.876469 0.155706 0.341022 O\n0.270135 0.266986 0.480048 O\n0.901961 0.943098 -0.001108 O\n0.601922 0.894159 0.777397 O\n0.928388 0.241724 0.111493 O\n0.536732 0.161870 0.133839 O\n0.100379 0.272423 -0.014179 O\n0.562448 0.758752 0.970827 O\n0.445786 0.662397 0.651299 O\n0.179436 0.985530 0.054812 O\n0.547434 0.472942 0.230894 O\n0.769316 0.797372 0.871539 O\n0.056602 0.919184 0.857649 O\n0.116837 0.728400 0.446537 O\n0.722601 0.228599 0.080734 O\n0.876923 0.877793 0.359976 O\n0.179517 0.586303 0.000130 O\n0.378592 0.534238 0.097989 O\n0.397007 0.266488 0.847731 O\n0.596047 0.214558 0.906658 O\n0.645363 0.074552 0.412955 O\n0.982677 0.711671 0.997410 O\n0.553020 0.894530 0.527949 O\n0.233412 0.705003 0.639975 O\n0.885684 0.158115 0.614153 O\n0.676592 0.265793 0.309358 O\n0.248430 0.969649 0.254610 O\n0.654307 0.529736 0.930076 O\n0.351628 0.158210 0.647433 O\n0.130470 0.919842 0.640482 O\n0.469338 0.124593 0.478486 O\n0.740770 0.647771 0.303299 O\n0.805925 0.524707 0.707844 O\n0.737242 0.112224 0.770906 O\n0.661085 0.010529 0.959222 O\n0.939991 0.725493 0.781239 O\n0.551084 0.720362 0.212188 O\n0.375709 0.923425 0.684447 O\n",
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"volume": 1723.164863612311,
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"formula_full": "V30 O75",
"formula_reduced": "V2O5",
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"updated_at": "2021-11-28T01:36:48.079000Z",
"spacegroup": 1
},
{
"id": "mp-599",
"created_at": "2022-09-04T14:45:09.491225Z",
"structure_string": "Ti2 Te2\n1.0\n1.812786 -3.139837 0.000000\n1.812786 3.139837 0.000000\n0.000000 0.000000 7.661766\nTi Te\n2 2\ndirect\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
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"density": 6.6813161592932815,
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"volume": 87.21928477933962,
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"formula_full": "Ti2 Te2",
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"energy": -24.38410877,
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"updated_at": "2021-11-28T01:36:51.802000Z",
"spacegroup": 194
},
{
"id": "mp-1185597",
"created_at": "2022-09-04T14:45:09.491884Z",
"structure_string": "Mg149 Ga1\n1.0\n13.768887 -7.949475 0.000000\n-0.000000 15.898949 -0.000000\n0.000000 0.000000 15.541426\nMg Ga\n149 1\ndirect\n0.198112 0.000896 0.000000 Mg\n0.802784 0.000896 0.000000 Mg\n0.198112 0.197215 0.000000 Mg\n0.999104 0.197215 0.000000 Mg\n0.399215 0.199608 0.000000 Mg\n0.800392 0.199608 0.000000 Mg\n0.599899 0.199797 0.000000 Mg\n0.199250 0.398499 0.000000 Mg\n0.399485 0.399543 0.000000 Mg\n0.000059 0.399543 0.000000 Mg\n0.599899 0.400101 0.000000 Mg\n0.800203 0.400101 0.000000 Mg\n0.199770 0.599886 0.000000 Mg\n0.400114 0.599886 0.000000 Mg\n0.600457 0.600515 0.000000 Mg\n0.000059 0.600515 0.000000 Mg\n0.800392 0.600785 0.000000 Mg\n0.400114 0.800230 0.000000 Mg\n0.199250 0.800750 0.000000 Mg\n0.601500 0.800750 0.000000 Mg\n0.802784 0.801887 0.000000 Mg\n0.999104 0.801888 0.000000 Mg\n0.399485 0.999941 0.000000 Mg\n0.600457 0.999942 0.000000 Mg\n0.065732 0.131463 0.164720 Mg\n0.868537 0.934268 0.164720 Mg\n0.065732 0.934268 0.164720 Mg\n0.266134 0.332417 0.166085 Mg\n0.066284 0.332417 0.166085 Mg\n0.066284 0.733866 0.166085 Mg\n0.667583 0.733866 0.166085 Mg\n0.266134 0.933716 0.166085 Mg\n0.667583 0.933717 0.166085 Mg\n0.666582 0.133277 0.166447 Mg\n0.466696 0.133278 0.166447 Mg\n0.466696 0.333418 0.166447 Mg\n0.866722 0.333418 0.166447 Mg\n0.866722 0.533303 0.166447 Mg\n0.666582 0.533304 0.166447 Mg\n0.666667 0.333333 0.166595 Mg\n0.466670 0.533329 0.166371 Mg\n0.066658 0.533330 0.166371 Mg\n0.466670 0.933342 0.166371 Mg\n0.266512 0.533025 0.166554 Mg\n0.266512 0.733488 0.166554 Mg\n0.466975 0.733488 0.166554 Mg\n0.866343 0.133656 0.167112 Mg\n0.267313 0.133657 0.167112 Mg\n0.866343 0.732687 0.167112 Mg\n0.000000 0.000000 0.332622 Mg\n0.199414 0.999830 0.333133 Mg\n0.800416 0.999830 0.333133 Mg\n0.000169 0.199584 0.333133 Mg\n0.199414 0.199584 0.333133 Mg\n0.800416 0.800585 0.333133 Mg\n0.000169 0.800586 0.333133 Mg\n0.199924 0.399848 0.333038 Mg\n0.199924 0.800076 0.333038 Mg\n0.600152 0.800076 0.333038 Mg\n0.600270 0.999992 0.333141 Mg\n0.399722 0.999992 0.333141 Mg\n0.399722 0.399730 0.333141 Mg\n0.000008 0.399730 0.333141 Mg\n0.600270 0.600278 0.333141 Mg\n0.000008 0.600277 0.333141 Mg\n0.600031 0.200063 0.333107 Mg\n0.600031 0.399969 0.333107 Mg\n0.799937 0.399969 0.333107 Mg\n0.800052 0.199948 0.333285 Mg\n0.399897 0.199948 0.333285 Mg\n0.800052 0.600104 0.333285 Mg\n0.200048 0.600024 0.333225 Mg\n0.399976 0.600024 0.333225 Mg\n0.399976 0.799951 0.333225 Mg\n0.066502 0.133002 0.500000 Mg\n0.866796 0.133204 0.500000 Mg\n0.266410 0.133204 0.500000 Mg\n0.466693 0.133220 0.500000 Mg\n0.666528 0.133220 0.500000 Mg\n0.066409 0.333039 0.500000 Mg\n0.266631 0.333039 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866781 0.333473 0.500000 Mg\n0.466693 0.333473 0.500000 Mg\n0.866781 0.533307 0.500000 Mg\n0.666528 0.533307 0.500000 Mg\n0.266523 0.533045 0.500000 Mg\n0.066499 0.533250 0.500000 Mg\n0.466750 0.533250 0.500000 Mg\n0.466955 0.733477 0.500000 Mg\n0.266523 0.733478 0.500000 Mg\n0.666961 0.733369 0.500000 Mg\n0.066409 0.733369 0.500000 Mg\n0.866796 0.733591 0.500000 Mg\n0.466750 0.933500 0.500000 Mg\n0.866998 0.933499 0.500000 Mg\n0.066502 0.933499 0.500000 Mg\n0.266631 0.933592 0.500000 Mg\n0.666961 0.933592 0.500000 Mg\n0.200048 0.600024 0.666774 Mg\n0.399976 0.600024 0.666774 Mg\n0.399976 0.799951 0.666774 Mg\n0.800052 0.199948 0.666715 Mg\n0.399897 0.199948 0.666715 Mg\n0.800052 0.600104 0.666715 Mg\n0.600031 0.200063 0.666893 Mg\n0.600031 0.399969 0.666893 Mg\n0.799937 0.399969 0.666893 Mg\n0.600270 0.999992 0.666859 Mg\n0.399722 0.999992 0.666859 Mg\n0.399722 0.399730 0.666859 Mg\n0.000008 0.399730 0.666859 Mg\n0.600270 0.600278 0.666859 Mg\n0.000008 0.600277 0.666859 Mg\n0.199924 0.399848 0.666962 Mg\n0.199924 0.800076 0.666962 Mg\n0.600152 0.800076 0.666962 Mg\n0.199414 0.999830 0.666867 Mg\n0.800416 0.999830 0.666867 Mg\n0.000169 0.199584 0.666867 Mg\n0.199414 0.199584 0.666867 Mg\n0.800416 0.800585 0.666867 Mg\n0.000169 0.800586 0.666867 Mg\n0.000000 0.000000 0.667378 Mg\n0.866343 0.133656 0.832888 Mg\n0.267313 0.133657 0.832888 Mg\n0.866343 0.732687 0.832888 Mg\n0.266512 0.533025 0.833446 Mg\n0.266512 0.733488 0.833446 Mg\n0.466975 0.733488 0.833446 Mg\n0.466670 0.533329 0.833629 Mg\n0.066658 0.533330 0.833629 Mg\n0.466670 0.933342 0.833629 Mg\n0.666667 0.333333 0.833405 Mg\n0.666582 0.133277 0.833552 Mg\n0.466696 0.133278 0.833552 Mg\n0.466696 0.333418 0.833552 Mg\n0.866722 0.333418 0.833552 Mg\n0.866722 0.533303 0.833552 Mg\n0.666582 0.533304 0.833552 Mg\n0.266134 0.332417 0.833915 Mg\n0.066284 0.332417 0.833915 Mg\n0.066284 0.733866 0.833915 Mg\n0.667583 0.733866 0.833915 Mg\n0.266134 0.933716 0.833915 Mg\n0.667583 0.933717 0.833915 Mg\n0.065732 0.131463 0.835280 Mg\n0.868537 0.934268 0.835280 Mg\n0.065732 0.934268 0.835280 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 150,
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"elements": [
"Mg",
"Ga"
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