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{
"id": "mp-1096544",
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"structure_string": "Li1 Mn1 Rh2\n1.0\n-4.704657 5.150021 7.259972\n4.704657 -5.150021 7.259972\n4.704657 5.150021 -7.259972\nLi Mn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.260129 0.260129 Rh\n0.000000 0.739871 0.739871 Rh\n",
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{
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{
"id": "mp-1096671",
"created_at": "2022-09-04T14:41:20.758172Z",
"structure_string": "Li1 Cu2 Pd1\n1.0\n-4.761304 4.864460 6.817547\n4.761304 -4.864460 6.817547\n4.761304 4.864460 -6.817547\nLi Cu Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.743109 0.000000 0.743109 Cu\n0.256891 0.000000 0.256891 Cu\n0.500000 0.000000 0.500000 Pd\n",
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"formula_full": "Li1 Cu2 Pd1",
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"updated_at": "2021-11-28T01:35:18.808000Z",
"spacegroup": 71
},
{
"id": "mp-1097386",
"created_at": "2022-09-04T14:47:31.055126Z",
"structure_string": "Al1 Cr1 Tc2\n1.0\n-4.637407 5.210074 7.470825\n4.637407 -5.210074 7.470825\n4.637407 5.210074 -7.470825\nAl Cr Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cr\n0.000000 0.270044 0.270044 Tc\n0.000000 0.729956 0.729956 Tc\n",
"nsites": 4,
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"density": 0.6324101270288445,
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"formula_full": "Al1 Cr1 Tc2",
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{
"id": "mp-1096703",
"created_at": "2022-09-04T14:39:48.547387Z",
"structure_string": "Na1 Tl2 Ag1\n1.0\n-5.865774 6.538016 9.234924\n5.865774 -6.538016 9.234924\n5.865774 6.538016 -9.234924\nNa Tl Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.265492 0.265492 Tl\n0.000000 0.734508 0.734508 Tl\n0.000000 0.500000 0.500000 Ag\n",
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"formula_full": "Na1 Tl2 Ag1",
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{
"id": "mp-1097179",
"created_at": "2022-09-04T14:43:58.257778Z",
"structure_string": "Zn1 Si1 Tc2\n1.0\n-4.898943 5.234991 7.403640\n4.898943 -5.234991 7.403640\n4.898943 5.234991 -7.403640\nZn Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Si\n0.000000 0.230168 0.230168 Tc\n0.000000 0.769832 0.769832 Tc\n",
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"volume": 759.4927110613962,
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"formula_full": "Zn1 Si1 Tc2",
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"updated_at": "2021-11-28T01:36:11.606000Z",
"spacegroup": 71
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{
"id": "mp-1095904",
"created_at": "2022-09-04T14:42:44.022552Z",
"structure_string": "Ba2 Hg1 Au1\n1.0\n-6.716582 6.903016 9.508558\n6.716582 -6.903016 9.508558\n6.716582 6.903016 -9.508558\nBa Hg Au\n2 1 1\ndirect\n0.230495 0.000000 0.230495 Ba\n0.769505 0.000000 0.769505 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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],
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"density": 0.6329837799106102,
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"volume": 1763.4447299163794,
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"formula_full": "Ba2 Hg1 Au1",
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"updated_at": "2021-11-28T01:35:53.271000Z",
"spacegroup": 71
},
{
"id": "mp-1247874",
"created_at": "2022-09-04T14:39:28.282645Z",
"structure_string": "Ag6 Se3\n1.0\n9.752244 1.088523 -2.693636\n-4.636439 8.979046 -4.578926\n1.092131 -4.904438 27.814256\nAg Se\n6 3\ndirect\n0.518577 0.498640 0.671928 Ag\n0.732977 0.500747 0.744079 Ag\n0.500613 0.500589 0.333651 Ag\n0.750173 0.251285 0.500869 Ag\n0.625337 0.996899 0.123637 Ag\n0.625427 0.376218 0.000755 Ag\n0.999157 0.998740 -0.000098 Se\n0.998747 0.000383 0.666774 Se\n0.998992 0.001500 0.333405 Se\n",
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],
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"formula_full": "Ag6 Se3",
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{
"id": "mp-1198945",
"created_at": "2022-09-04T14:46:39.354921Z",
"structure_string": "Mg4 B8 H24\n1.0\n7.779874 0.000000 0.000000\n-0.403679 7.966670 0.000000\n-0.579659 -0.363837 8.787996\nMg B H\n4 8 24\ndirect\n0.349969 0.129716 0.017430 Mg\n0.843424 0.813978 0.872447 Mg\n0.819784 0.325521 0.138890 Mg\n0.674867 0.281471 0.642618 Mg\n0.088939 0.963437 0.006027 B\n0.055865 0.177571 0.051900 B\n0.472728 0.130878 0.771175 B\n0.664944 0.019895 0.776528 B\n0.682961 0.289994 0.373349 B\n0.555395 0.198346 0.215452 B\n0.799542 0.529865 0.781058 B\n0.772711 0.556010 0.978728 B\n0.929724 0.211916 0.970356 H\n0.228761 0.900801 0.040025 H\n0.641908 0.882632 0.708318 H\n0.482168 0.255406 0.861986 H\n0.633713 0.134887 0.109779 H\n0.803990 0.394955 0.355573 H\n0.908849 0.542749 0.058990 H\n0.655017 0.521231 0.711502 H\n0.071248 0.934749 0.865114 H\n0.162508 0.292195 0.025704 H\n0.420633 0.190640 0.650367 H\n0.800175 0.084001 0.730061 H\n0.987902 0.876443 0.073731 H\n0.034029 0.198088 0.189869 H\n0.701659 0.003341 0.913667 H\n0.352715 0.033864 0.796767 H\n0.752538 0.180457 0.448243 H\n0.468607 0.309139 0.158514 H\n0.880930 0.636023 0.710210 H\n0.715175 0.687069 0.029953 H\n0.585382 0.373492 0.446200 H\n0.461272 0.083170 0.254069 H\n0.658980 0.452687 0.007335 H\n0.880986 0.403378 0.758064 H\n",
"nsites": 36,
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{
"id": "mp-1097073",
"created_at": "2022-09-04T14:39:15.301360Z",
"structure_string": "Sc2 In1 Au1\n1.0\n-5.569827 5.723610 8.252718\n5.569827 -5.723610 8.252718\n5.569827 5.723610 -8.252718\nSc In Au\n2 1 1\ndirect\n0.000000 0.259847 0.259847 Sc\n0.000000 0.740153 0.740153 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:43:50.202226Z",
"structure_string": "Zr2 Cd1 Tc1\n1.0\n-5.383135 6.022753 7.932816\n5.383135 -6.022753 7.932816\n5.383135 6.022753 -7.932816\nZr Cd Tc\n2 1 1\ndirect\n0.000000 0.208629 0.208629 Zr\n0.000000 0.791371 0.791371 Zr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Tc\n",
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"energy": -16.77976605,
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{
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"structure_string": "Be2 Fe1 Ru1\n1.0\n-4.276796 4.400779 6.083616\n4.276796 -4.400779 6.083616\n4.276796 4.400779 -6.083616\nBe Fe Ru\n2 1 1\ndirect\n0.000000 0.256964 0.256964 Be\n0.000000 0.743036 0.743036 Be\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ru\n",
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]
}