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{
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{
"id": "mp-1111740",
"created_at": "2022-09-04T14:46:56.264460Z",
"structure_string": "Na2 In1 Hg1 Br6\n1.0\n0.000000 5.630404 5.630404\n5.630404 0.000000 5.630404\n5.630404 5.630404 0.000000\nNa In Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.756696 0.243304 0.243304 Br\n0.243304 0.243304 0.756696 Br\n0.243304 0.756696 0.756696 Br\n0.243304 0.756696 0.243304 Br\n0.756696 0.243304 0.756696 Br\n0.756696 0.756696 0.243304 Br\n",
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{
"id": "mp-1209279",
"created_at": "2022-09-04T14:45:55.341193Z",
"structure_string": "Rb4 Dy4 Br12\n1.0\n7.700161 0.000000 0.000000\n0.000000 8.235993 0.000000\n0.000000 0.000000 11.258521\nRb Dy Br\n4 4 12\ndirect\n0.029864 0.430970 0.250000 Rb\n0.970136 0.569030 0.750000 Rb\n0.529864 0.069030 0.750000 Rb\n0.470136 0.930970 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.292131 0.212955 0.034115 Br\n0.707869 0.787045 0.965885 Br\n0.792131 0.287045 0.965885 Br\n0.707869 0.787045 0.534115 Br\n0.207869 0.712955 0.034115 Br\n0.292131 0.212955 0.465885 Br\n0.207869 0.712955 0.465885 Br\n0.792131 0.287045 0.534115 Br\n0.579847 0.510826 0.250000 Br\n0.420153 0.489174 0.750000 Br\n0.079847 0.989174 0.750000 Br\n0.920153 0.010826 0.250000 Br\n",
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"spacegroup": 62
},
{
"id": "mp-568318",
"created_at": "2022-09-04T14:43:14.951030Z",
"structure_string": "K20 Ta20 Te60\n1.0\n14.268809 0.000000 0.000000\n0.000000 7.986365 0.000000\n0.000000 0.041237 31.328589\nK Ta Te\n20 20 60\ndirect\n0.948194 0.281415 0.549559 K\n0.051806 0.718585 0.450441 K\n0.551806 0.281415 0.049559 K\n0.910312 0.236628 0.141202 K\n0.965316 0.224255 0.351505 K\n0.892340 0.211699 0.750277 K\n0.448194 0.718585 0.950441 K\n0.392340 0.788301 0.749723 K\n0.880606 0.227011 0.949257 K\n0.119394 0.772989 0.050743 K\n0.410312 0.763372 0.358798 K\n0.534684 0.224255 0.851505 K\n0.034684 0.775745 0.648495 K\n0.089688 0.763372 0.858798 K\n0.380606 0.772989 0.550743 K\n0.619394 0.227011 0.449257 K\n0.107660 0.788301 0.249723 K\n0.589688 0.236628 0.641202 K\n0.465316 0.775745 0.148495 K\n0.607660 0.211699 0.250277 K\n0.817116 0.775279 0.195129 Ta\n0.256820 0.313622 0.103671 Ta\n0.757903 0.766362 0.091251 Ta\n0.243180 0.313622 0.603671 Ta\n0.756820 0.686378 0.396329 Ta\n0.786285 0.650436 0.298214 Ta\n0.713715 0.650436 0.798214 Ta\n0.317116 0.224721 0.304871 Ta\n0.746698 0.719828 0.491850 Ta\n0.242097 0.233638 0.908749 Ta\n0.246698 0.280172 0.008150 Ta\n0.743180 0.686378 0.896329 Ta\n0.742097 0.766362 0.591251 Ta\n0.213715 0.349564 0.701786 Ta\n0.286285 0.349564 0.201786 Ta\n0.182884 0.224721 0.804871 Ta\n0.257903 0.233638 0.408749 Ta\n0.253302 0.280172 0.508150 Ta\n0.682884 0.775279 0.695129 Ta\n0.753302 0.719828 0.991850 Ta\n0.216174 0.542061 0.946081 Te\n0.621594 0.477189 0.736270 Te\n0.088916 0.320699 0.059362 Te\n0.690725 0.525511 0.153092 Te\n0.430739 0.263526 0.149917 Te\n0.197972 0.002097 0.348372 Te\n0.861872 0.679143 0.736349 Te\n0.283826 0.542061 0.446081 Te\n0.845576 0.865877 0.832654 Te\n0.268358 0.614978 0.654790 Te\n0.634800 0.983476 0.755977 Te\n0.825961 0.961543 0.439119 Te\n0.911084 0.679301 0.940638 Te\n0.121861 0.067283 0.962410 Te\n0.602802 0.838616 0.044972 Te\n0.716174 0.457939 0.553919 Te\n0.397198 0.161384 0.955028 Te\n0.154424 0.134123 0.167346 Te\n0.802028 0.997903 0.651628 Te\n0.768358 0.385022 0.845210 Te\n0.134800 0.016524 0.744023 Te\n0.378406 0.522811 0.263730 Te\n0.731642 0.385022 0.345210 Te\n0.069261 0.263526 0.649917 Te\n0.638128 0.679143 0.236349 Te\n0.174039 0.038457 0.560881 Te\n0.325961 0.038457 0.060881 Te\n0.878139 0.932717 0.037590 Te\n0.411084 0.320699 0.559362 Te\n0.878406 0.477189 0.236270 Te\n0.102802 0.161384 0.455028 Te\n0.552877 0.750882 0.635715 Te\n0.302028 0.002097 0.848372 Te\n0.052877 0.249118 0.864285 Te\n0.121594 0.522811 0.763730 Te\n0.138128 0.320857 0.263651 Te\n0.345576 0.134123 0.667346 Te\n0.930739 0.736474 0.350083 Te\n0.865200 0.983476 0.255977 Te\n0.697972 0.997903 0.151628 Te\n0.621861 0.932717 0.537590 Te\n0.309275 0.474489 0.846908 Te\n0.231642 0.614978 0.154790 Te\n0.378139 0.067283 0.462410 Te\n0.342611 0.541399 0.047988 Te\n0.361872 0.320857 0.763651 Te\n0.365200 0.016524 0.244023 Te\n0.674039 0.961543 0.939119 Te\n0.447123 0.249118 0.364285 Te\n0.842611 0.458601 0.452012 Te\n0.157389 0.541399 0.547988 Te\n0.588916 0.679301 0.440638 Te\n0.657389 0.458601 0.952012 Te\n0.783826 0.457939 0.053919 Te\n0.809275 0.525511 0.653092 Te\n0.947123 0.750882 0.135715 Te\n0.897198 0.838616 0.544972 Te\n0.569261 0.736474 0.850083 Te\n0.190725 0.474489 0.346908 Te\n0.654424 0.865877 0.332654 Te\n",
"nsites": 100,
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"elements": [
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],
"chemical_system": "K-Ta-Te",
"density": 5.607998538235741,
"density_atomic": 0.028010591848488458,
"volume": 3570.0780812097096,
"volume_molar": 21.49951272923558,
"formula_full": "K20 Ta20 Te60",
"formula_reduced": "KTaTe3",
"formula_anonymous": "ABC3",
"energy": -530.48983437,
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"updated_at": "2021-11-28T01:36:10.179000Z",
"spacegroup": 14
},
{
"id": "mp-1221979",
"created_at": "2022-09-04T14:45:14.702800Z",
"structure_string": "Mn1 In2 Te4\n1.0\n-3.155621 3.155621 6.274183\n3.155621 -3.155621 6.274183\n3.155621 3.155621 -6.274183\nMn In Te\n1 2 4\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.835425 0.383545 0.985058 Te\n0.398487 0.850367 0.014942 Te\n0.149633 0.164575 0.548120 Te\n0.616455 0.601513 0.451880 Te\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.282204356359942,
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"volume": 249.91184921993812,
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"formula_full": "Mn1 In2 Te4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "mp-1111713",
"created_at": "2022-09-04T14:44:13.236331Z",
"structure_string": "Rb2 Tl1 Au1 Br6\n1.0\n0.000000 5.630632 5.630632\n5.630632 0.000000 5.630632\n5.630632 5.630632 0.000000\nRb Tl Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n0.757444 0.242556 0.242556 Br\n0.242556 0.242556 0.757444 Br\n0.242556 0.757444 0.757444 Br\n0.242556 0.757444 0.242556 Br\n0.757444 0.242556 0.757444 Br\n0.757444 0.757444 0.242556 Br\n",
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"density_atomic": 0.028009062444583066,
"volume": 357.02730213784764,
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"formula_full": "Rb2 Tl1 Au1 Br6",
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"updated_at": "2021-11-28T01:36:26.431000Z",
"spacegroup": 225
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{
"id": "mp-20750",
"created_at": "2022-09-04T14:41:58.869183Z",
"structure_string": "Tb3 Sn1 C1\n1.0\n5.630732 0.000000 0.000000\n0.000000 5.630732 0.000000\n0.000000 0.000000 5.630732\nTb Sn C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-569561",
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"structure_string": "Te8 Cl32\n1.0\n5.486760 9.000457 0.000000\n-5.486760 9.000457 0.000000\n0.000000 7.340815 14.461535\nTe Cl\n8 32\ndirect\n0.840779 0.886019 0.316193 Te\n0.260005 0.735588 0.386591 Te\n0.264412 0.739995 0.113409 Te\n0.735588 0.260005 0.886591 Te\n0.886019 0.840779 0.816193 Te\n0.739995 0.264412 0.613409 Te\n0.113981 0.159221 0.183807 Te\n0.159221 0.113981 0.683807 Te\n0.996139 0.006515 0.129684 Cl\n0.858245 0.367695 0.461986 Cl\n0.365662 0.888732 0.692037 Cl\n0.225922 0.243188 0.243361 Cl\n0.367695 0.858245 0.961986 Cl\n0.993485 0.003861 0.370316 Cl\n0.475836 0.521288 0.373820 Cl\n0.006515 0.996139 0.629684 Cl\n0.781517 0.744811 0.973798 Cl\n0.121294 0.634335 0.310005 Cl\n0.521288 0.475836 0.873820 Cl\n0.744811 0.781517 0.473798 Cl\n0.365665 0.878706 0.189995 Cl\n0.003861 0.993485 0.870316 Cl\n0.634335 0.121294 0.810005 Cl\n0.888732 0.365662 0.192037 Cl\n0.878706 0.365665 0.689995 Cl\n0.358409 0.850023 0.433729 Cl\n0.850023 0.358409 0.933729 Cl\n0.243188 0.225922 0.743361 Cl\n0.255189 0.218483 0.526202 Cl\n0.149977 0.641591 0.066271 Cl\n0.632305 0.141755 0.038014 Cl\n0.111268 0.634338 0.807963 Cl\n0.634338 0.111268 0.307963 Cl\n0.141755 0.632305 0.538014 Cl\n0.524164 0.478712 0.626180 Cl\n0.756812 0.774078 0.256639 Cl\n0.478712 0.524164 0.126180 Cl\n0.774078 0.756812 0.756639 Cl\n0.218483 0.255189 0.026202 Cl\n0.641591 0.149977 0.566271 Cl\n",
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"volume": 1428.318015111004,
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{
"id": "mp-975170",
"created_at": "2022-09-04T14:44:00.884897Z",
"structure_string": "Rb2 Hg6\n1.0\n3.821519 -6.619065 0.000000\n3.821519 6.619065 0.000000\n0.000000 0.000000 5.646818\nRb Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.144779 0.289557 0.250000 Hg\n0.710443 0.855221 0.250000 Hg\n0.144779 0.855221 0.250000 Hg\n0.855221 0.710443 0.750000 Hg\n0.289557 0.144779 0.750000 Hg\n0.855221 0.144779 0.750000 Hg\n",
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"volume": 285.6711974217589,
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"formula_full": "Rb2 Hg6",
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{
"id": "mp-1187373",
"created_at": "2022-09-04T14:41:06.725920Z",
"structure_string": "Tb2 Pr6\n1.0\n3.689861 -6.391027 0.000000\n3.689861 6.391027 0.000000\n0.000000 0.000000 6.057171\nTb Pr\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.167755 0.335509 0.250000 Pr\n0.664491 0.832245 0.250000 Pr\n0.167755 0.832245 0.250000 Pr\n0.832245 0.664491 0.750000 Pr\n0.335509 0.167755 0.750000 Pr\n0.832245 0.167755 0.750000 Pr\n",
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{
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{
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{
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}