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{
"id": "mp-998608",
"created_at": "2022-09-04T14:45:12.054855Z",
"structure_string": "Tl2 Ag2 Br6\n1.0\n6.573507 -3.840078 0.000000\n6.573507 3.840078 0.000000\n4.330231 0.000000 6.261494\nTl Ag Br\n2 2 6\ndirect\n0.273916 0.273916 0.273916 Tl\n0.773916 0.773916 0.773916 Tl\n0.002450 0.002450 0.002450 Ag\n0.502450 0.502450 0.502450 Ag\n0.807761 0.247668 0.696705 Br\n0.696705 0.807761 0.247668 Br\n0.247668 0.696705 0.807761 Br\n0.307761 0.196705 0.747668 Br\n0.196705 0.747668 0.307761 Br\n0.747668 0.307761 0.196705 Br\n",
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{
"id": "mp-998609",
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"structure_string": "Cs4 Na4 F12\n1.0\n4.158445 0.000000 0.000000\n0.000000 7.002554 0.000000\n0.000000 0.000000 13.573251\nCs Na F\n4 4 12\ndirect\n0.750000 0.105741 0.670606 Cs\n0.250000 0.894259 0.329394 Cs\n0.750000 0.605741 0.829394 Cs\n0.250000 0.394259 0.170606 Cs\n0.250000 0.134573 0.926086 Na\n0.750000 0.865427 0.073914 Na\n0.250000 0.634573 0.573914 Na\n0.750000 0.365427 0.426086 Na\n0.750000 0.265139 0.988824 F\n0.250000 0.734861 0.011176 F\n0.750000 0.765139 0.511176 F\n0.250000 0.234861 0.488824 F\n0.250000 0.998728 0.088240 F\n0.750000 0.001272 0.911760 F\n0.250000 0.498728 0.411760 F\n0.750000 0.501272 0.588240 F\n0.250000 0.313798 0.789908 F\n0.750000 0.686202 0.210092 F\n0.250000 0.813798 0.710092 F\n0.750000 0.186202 0.289908 F\n",
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"formula_full": "Cs4 Na4 F12",
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"spacegroup": 62
},
{
"id": "mp-998610",
"created_at": "2022-09-04T14:42:12.381006Z",
"structure_string": "Tl1 Ag1 Cl3\n1.0\n5.126083 0.000000 0.000000\n0.000000 5.126083 0.000000\n0.000000 0.000000 5.130441\nTl Ag Cl\n1 1 3\ndirect\n0.000000 0.000000 0.999137 Tl\n0.500000 0.500000 0.485559 Ag\n0.000000 0.500000 0.483506 Cl\n0.500000 0.500000 0.985423 Cl\n0.500000 0.000000 0.483506 Cl\n",
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"volume": 134.8111971509936,
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"formula_full": "Tl1 Ag1 Cl3",
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"spacegroup": 99
},
{
"id": "mp-998611",
"created_at": "2022-09-04T14:42:21.728236Z",
"structure_string": "Rb2 Sn2 Cl6\n1.0\n6.752697 -3.995853 0.000000\n6.752697 3.995853 0.000000\n4.388184 0.000000 6.504583\nRb Sn Cl\n2 2 6\ndirect\n0.272221 0.272221 0.272221 Rb\n0.772221 0.772221 0.772221 Rb\n0.000523 0.000523 0.000523 Sn\n0.500523 0.500523 0.500523 Sn\n0.849120 0.219894 0.686743 Cl\n0.686743 0.849120 0.219894 Cl\n0.219894 0.686743 0.849120 Cl\n0.349120 0.186743 0.719894 Cl\n0.186743 0.719894 0.349120 Cl\n0.719894 0.349120 0.186743 Cl\n",
"nsites": 10,
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"density": 2.938028100191553,
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"formula_full": "Rb2 Sn2 Cl6",
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"updated_at": "2021-11-28T01:35:43.701000Z",
"spacegroup": 161
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{
"id": "mp-998612",
"created_at": "2022-09-04T14:45:35.545878Z",
"structure_string": "K2 Ge2 Br6\n1.0\n7.645715 0.000000 0.000000\n0.000000 5.987584 0.000000\n0.000000 2.984357 8.090717\nK Ge Br\n2 2 6\ndirect\n0.750000 0.160688 0.185990 K\n0.250000 0.839312 0.814010 K\n0.750000 0.405416 0.618409 Ge\n0.250000 0.594584 0.381591 Ge\n0.000055 0.334021 0.823504 Br\n0.500055 0.665979 0.176496 Br\n0.250000 0.009612 0.395235 Br\n0.750000 0.990388 0.604765 Br\n0.999945 0.665979 0.176496 Br\n0.499945 0.334021 0.823504 Br\n",
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"density": 3.1512747994994075,
"density_atomic": 0.026998725598732457,
"volume": 370.3878526944058,
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"formula_full": "K2 Ge2 Br6",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:37:12.163000Z",
"spacegroup": 11
},
{
"id": "mp-998613",
"created_at": "2022-09-04T14:45:58.518431Z",
"structure_string": "K2 Ge2 Cl6\n1.0\n6.643389 -3.838648 0.000000\n6.643389 3.838648 0.000000\n4.425362 0.000000 6.267855\nK Ge Cl\n2 2 6\ndirect\n0.724733 0.724733 0.724733 K\n0.224733 0.224733 0.224733 K\n0.009744 0.009744 0.009744 Ge\n0.509744 0.509744 0.509744 Ge\n0.789254 0.137906 0.309863 Cl\n0.137906 0.309863 0.789254 Cl\n0.309863 0.789254 0.137906 Cl\n0.809864 0.637906 0.289254 Cl\n0.289254 0.809864 0.637906 Cl\n0.637906 0.289254 0.809863 Cl\n",
"nsites": 10,
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"formula_full": "K2 Ge2 Cl6",
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"updated_at": "2021-11-28T01:37:20.182000Z",
"spacegroup": 161
},
{
"id": "mp-998615",
"created_at": "2022-09-04T14:46:22.602664Z",
"structure_string": "Ca2 Tl2 F6\n1.0\n5.524409 -3.195757 0.000000\n5.524409 3.195757 0.000000\n3.675729 0.000000 5.217373\nCa Tl F\n2 2 6\ndirect\n0.993358 0.993358 0.993358 Ca\n0.493358 0.493358 0.493358 Ca\n0.730656 0.730656 0.730656 Tl\n0.230656 0.230656 0.230656 Tl\n0.302389 0.758840 0.186258 F\n0.758840 0.186258 0.302389 F\n0.186258 0.302389 0.758840 F\n0.258840 0.802389 0.686258 F\n0.686258 0.258840 0.802389 F\n0.802389 0.686258 0.258840 F\n",
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"volume": 184.22198393895857,
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"formula_full": "Ca2 Tl2 F6",
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},
{
"id": "mp-998620",
"created_at": "2022-09-04T14:42:14.467518Z",
"structure_string": "Rb2 Sn2 F6\n1.0\n5.810500 -3.466659 0.000000\n5.810500 3.466659 0.000000\n3.742222 0.000000 5.636968\nRb Sn F\n2 2 6\ndirect\n0.125603 0.125603 0.125603 Rb\n0.874397 0.874397 0.874397 Rb\n0.356263 0.356263 0.356263 Sn\n0.643737 0.643737 0.643737 Sn\n0.047883 0.250949 0.524708 F\n0.250949 0.524708 0.047883 F\n0.524708 0.047883 0.250949 F\n0.952117 0.749051 0.475292 F\n0.475292 0.952117 0.749051 F\n0.749051 0.475292 0.952117 F\n",
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{
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"structure_string": "Tl1 Cd1 F3\n1.0\n-0.006844 -4.494202 -0.043312\n-4.497020 0.002959 -0.019290\n0.010913 0.024486 -4.498044\nTl Cd F\n1 1 3\ndirect\n0.994461 0.993273 0.985022 Tl\n0.488180 0.498707 0.495096 Cd\n0.482518 0.999628 0.499185 F\n0.987527 0.509104 0.513771 F\n0.487314 0.499286 0.996926 F\n",
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{
"id": "mp-998624",
"created_at": "2022-09-04T14:41:17.627229Z",
"structure_string": "Na2 Os2 O6\n1.0\n4.666674 -2.714289 0.000000\n4.666674 2.714289 0.000000\n3.087955 0.000000 4.428289\nNa Os O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.825134 0.250000 0.674866 O\n0.674866 0.825134 0.250000 O\n0.250000 0.674866 0.825134 O\n0.325134 0.174866 0.750000 O\n0.174866 0.750000 0.325134 O\n0.750000 0.325134 0.174866 O\n",
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{
"id": "mp-998627",
"created_at": "2022-09-04T14:40:21.358344Z",
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"spacegroup": 161
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{
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"structure_string": "Nb4 P2 C2\n1.0\n1.654811 -2.866217 0.000000\n1.654811 2.866217 0.000000\n0.000000 0.000000 11.654312\nNb P C\n4 2 2\ndirect\n0.333333 0.666667 0.400143 Nb\n0.666667 0.333333 0.900143 Nb\n0.666667 0.333333 0.599857 Nb\n0.333333 0.666667 0.099857 Nb\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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]
}