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{
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"results": [
{
"id": "mp-1183019",
"created_at": "2022-09-04T14:40:26.500770Z",
"structure_string": "Al4 H60 Br12 N20\n1.0\n9.054386 0.000000 0.000000\n0.000000 11.118545 0.000000\n0.000000 0.000000 15.982212\nAl H Br N\n4 60 12 20\ndirect\n0.148097 0.250000 0.588216 Al\n0.351903 0.250000 0.088216 Al\n0.851903 0.750000 0.411784 Al\n0.648097 0.750000 0.911784 Al\n0.072792 0.250000 0.249735 H\n0.427208 0.250000 0.749735 H\n0.927208 0.750000 0.750265 H\n0.572792 0.750000 0.250265 H\n0.091489 0.676143 0.896683 H\n0.408511 0.823857 0.396683 H\n0.908511 0.176143 0.103317 H\n0.591489 0.323857 0.603317 H\n0.908511 0.323857 0.103317 H\n0.591489 0.176143 0.603317 H\n0.091489 0.823857 0.896683 H\n0.408511 0.676143 0.396683 H\n0.697122 0.250000 0.667295 H\n0.802878 0.250000 0.167295 H\n0.302878 0.750000 0.332705 H\n0.197122 0.750000 0.832705 H\n0.870328 0.687882 0.730607 H\n0.629672 0.812118 0.230607 H\n0.129672 0.187882 0.269393 H\n0.370328 0.312118 0.769393 H\n0.129672 0.312118 0.269393 H\n0.370328 0.187882 0.769393 H\n0.870328 0.812118 0.730607 H\n0.629672 0.687882 0.230607 H\n0.901058 0.250000 0.813380 H\n0.598942 0.250000 0.313380 H\n0.098942 0.750000 0.186620 H\n0.401058 0.750000 0.686620 H\n0.105102 0.134830 0.664391 H\n0.394898 0.365170 0.164391 H\n0.894898 0.634830 0.335609 H\n0.605102 0.865170 0.835609 H\n0.894898 0.865170 0.335609 H\n0.605102 0.634830 0.835609 H\n0.105102 0.365170 0.664391 H\n0.394898 0.134830 0.164391 H\n0.871174 0.566647 0.016879 H\n0.628826 0.933353 0.516879 H\n0.128826 0.066647 0.983121 H\n0.371174 0.433353 0.483121 H\n0.128826 0.433353 0.983121 H\n0.371174 0.066647 0.483121 H\n0.871174 0.933353 0.016879 H\n0.628826 0.566647 0.516879 H\n0.514467 0.978648 0.586223 H\n0.985533 0.521352 0.086223 H\n0.485533 0.478648 0.413777 H\n0.014467 0.021352 0.913777 H\n0.485533 0.021352 0.413777 H\n0.014467 0.478648 0.913777 H\n0.514467 0.521352 0.586223 H\n0.985533 0.978648 0.086223 H\n0.170778 0.097933 0.696810 H\n0.329222 0.402067 0.196810 H\n0.829222 0.597933 0.303190 H\n0.670778 0.902067 0.803190 H\n0.829222 0.902067 0.303190 H\n0.670778 0.597933 0.803190 H\n0.170778 0.402067 0.696810 H\n0.329222 0.097933 0.196810 H\n0.546358 0.250000 0.997937 Br\n0.953642 0.250000 0.497937 Br\n0.453642 0.750000 0.002063 Br\n0.046358 0.750000 0.502063 Br\n0.309743 0.025905 0.768000 Br\n0.190257 0.474095 0.268000 Br\n0.690257 0.525905 0.232000 Br\n0.809743 0.974095 0.732000 Br\n0.690257 0.974095 0.232000 Br\n0.809743 0.525905 0.732000 Br\n0.309743 0.474095 0.768000 Br\n0.190257 0.025905 0.268000 Br\n0.967640 0.250000 0.868519 N\n0.532360 0.250000 0.368519 N\n0.032360 0.750000 0.131481 N\n0.467640 0.750000 0.631481 N\n0.097817 0.250000 0.862491 N\n0.402183 0.250000 0.362491 N\n0.902183 0.750000 0.137509 N\n0.597817 0.750000 0.637509 N\n0.593228 0.250000 0.642100 N\n0.906772 0.250000 0.142100 N\n0.406772 0.750000 0.357900 N\n0.093228 0.750000 0.857900 N\n0.939112 0.495212 0.030591 N\n0.560888 0.004788 0.530591 N\n0.060888 0.995212 0.969409 N\n0.439112 0.504788 0.469409 N\n0.060888 0.504788 0.969409 N\n0.439112 0.995212 0.469409 N\n0.939112 0.004788 0.030591 N\n0.560888 0.495212 0.530591 N\n",
"nsites": 96,
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],
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"density_atomic": 0.05966606304335125,
"volume": 1608.954824625345,
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"formula_full": "Al4 H60 Br12 N20",
"formula_reduced": "AlH15Br3N5",
"formula_anonymous": "AB3C5D15",
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"updated_at": "2021-11-28T01:35:04.027000Z",
"spacegroup": 62
},
{
"id": "mp-1222122",
"created_at": "2022-09-04T14:40:14.944692Z",
"structure_string": "Mg2 Se1 S1\n1.0\n-2.923541 -2.923541 0.000000\n0.000000 0.000000 -5.846618\n2.923541 -2.923541 0.000000\nMg Se S\n2 1 1\ndirect\n0.000000 0.012515 0.000000 Mg\n0.500000 0.487485 0.500000 Mg\n0.500000 0.750000 0.000000 Se\n0.000000 0.250000 0.500000 S\n",
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"density": 2.6523090153864253,
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"updated_at": "2021-11-28T01:35:01.214000Z",
"spacegroup": 115
},
{
"id": "mp-1113316",
"created_at": "2022-09-04T14:45:25.113496Z",
"structure_string": "Na2 Li1 Lu1 Cl6\n1.0\n0.000000 5.075835 5.075835\n5.075835 0.000000 5.075835\n5.075835 5.075835 0.000000\nNa Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.748043 0.251957 0.251957 Cl\n0.251957 0.251957 0.748043 Cl\n0.251957 0.748043 0.748043 Cl\n0.251957 0.748043 0.251957 Cl\n0.748043 0.251957 0.748043 Cl\n0.748043 0.748043 0.251957 Cl\n",
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],
"chemical_system": "Cl-Li-Lu-Na",
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"density_atomic": 0.038233804589143223,
"volume": 261.5486506629156,
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"formula_full": "Na2 Li1 Lu1 Cl6",
"formula_reduced": "Na2LiLuCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.73301124,
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"updated_at": "2021-11-28T01:36:59.317000Z",
"spacegroup": 225
},
{
"id": "mp-1110814",
"created_at": "2022-09-04T14:42:16.456543Z",
"structure_string": "Cs1 Rb2 Tm1 Cl6\n1.0\n0.000000 5.862742 5.862742\n5.862742 0.000000 5.862742\n5.862742 5.862742 0.000000\nCs Rb Tm Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.778105 0.221895 0.221895 Cl\n0.221895 0.221895 0.778105 Cl\n0.221895 0.778105 0.778105 Cl\n0.221895 0.778105 0.221895 Cl\n0.778105 0.221895 0.778105 Cl\n0.778105 0.778105 0.221895 Cl\n",
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"elements": [
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"Tm",
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],
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"density": 2.8243592953793892,
"density_atomic": 0.02481233614510447,
"volume": 403.02533149314206,
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"formula_full": "Cs1 Rb2 Tm1 Cl6",
"formula_reduced": "CsRb2TmCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.7322324,
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{
"id": "mp-1392",
"created_at": "2022-09-04T14:43:16.055406Z",
"structure_string": "Zn8 P16\n1.0\n7.326748 0.000000 0.000000\n0.000000 7.611821 0.000000\n0.000000 1.904724 8.690635\nZn P\n8 16\ndirect\n0.596076 0.275468 0.392507 Zn\n0.096076 0.224532 0.607493 Zn\n0.403924 0.724532 0.607493 Zn\n0.903924 0.775468 0.392507 Zn\n0.246887 0.106019 0.080741 Zn\n0.746887 0.393981 0.919259 Zn\n0.753113 0.893981 0.919259 Zn\n0.253113 0.606019 0.080741 Zn\n0.755977 0.104594 0.077974 P\n0.255977 0.395406 0.922026 P\n0.244023 0.895406 0.922026 P\n0.744023 0.604594 0.077974 P\n0.983853 0.072380 0.242012 P\n0.483853 0.427620 0.757988 P\n0.016147 0.927620 0.757988 P\n0.516147 0.572380 0.242012 P\n0.573137 0.783587 0.374577 P\n0.073137 0.716413 0.625423 P\n0.426863 0.216413 0.625423 P\n0.926863 0.283587 0.374577 P\n0.980505 0.559116 0.235134 P\n0.480505 0.940884 0.764866 P\n0.019495 0.440884 0.764866 P\n0.519495 0.059116 0.235134 P\n",
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{
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"structure_string": "Ge2 N4 F10\n1.0\n5.549593 0.000000 0.000000\n0.000000 5.549593 0.000000\n0.000000 0.000000 8.356099\nGe N F\n2 4 10\ndirect\n0.000000 0.500000 0.232925 Ge\n0.500000 0.000000 0.767075 Ge\n0.000000 0.500000 0.719135 N\n0.500000 0.000000 0.280865 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.024156 F\n0.500000 0.000000 0.975844 F\n0.187783 0.754122 0.281984 F\n0.812217 0.245878 0.281984 F\n0.254122 0.312217 0.281984 F\n0.745878 0.687783 0.281984 F\n0.312217 0.745878 0.718016 F\n0.687783 0.254122 0.718016 F\n0.245878 0.187783 0.718016 F\n0.754122 0.812217 0.718016 F\n",
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"density": 2.5247764219534456,
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"formula_full": "Ge2 N4 F10",
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{
"id": "mp-1224922",
"created_at": "2022-09-04T14:45:03.712272Z",
"structure_string": "Ga1 Cu1 Sn1 Se4\n1.0\n-2.839577 2.839577 5.654585\n2.839577 -2.839577 5.654585\n2.839577 2.839577 -5.654585\nGa Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.640616 0.644896 0.538360 Se\n0.106536 0.102256 0.461640 Se\n0.897744 0.359384 0.004280 Se\n0.355104 0.893464 0.995720 Se\n",
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"formula_full": "Ga1 Cu1 Sn1 Se4",
"formula_reduced": "GaCuSnSe4",
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{
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"structure_string": "Mg4 As16\n1.0\n5.473979 0.000000 0.000000\n0.000000 5.473979 0.000000\n0.000000 0.000000 16.099760\nMg As\n4 16\ndirect\n0.803141 0.803141 0.500000 Mg\n0.696859 0.303141 0.750000 Mg\n0.303141 0.696859 0.250000 Mg\n0.196859 0.196859 0.000000 Mg\n0.400573 0.476069 0.875007 As\n0.900573 0.023931 0.874993 As\n0.976069 0.099427 0.625007 As\n0.023931 0.900573 0.125007 As\n0.675566 0.067033 0.202756 As\n0.432967 0.175566 0.452756 As\n0.567033 0.824434 0.952756 As\n0.175566 0.432967 0.547244 As\n0.824434 0.567033 0.047244 As\n0.324434 0.932967 0.702756 As\n0.067033 0.675566 0.797244 As\n0.932967 0.324434 0.297244 As\n0.599427 0.523931 0.375007 As\n0.476069 0.400573 0.124993 As\n0.523931 0.599427 0.624993 As\n0.099427 0.976069 0.374993 As\n",
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{
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{
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"created_at": "2022-09-04T14:42:10.153335Z",
"structure_string": "Ho3 In3 Au3\n1.0\n3.890262 -6.738131 0.000000\n3.890262 6.738131 0.000000\n0.000000 0.000000 3.960323\nHo In Au\n3 3 3\ndirect\n0.401418 0.401418 0.500000 Ho\n0.598582 0.000000 0.500000 Ho\n0.000000 0.598582 0.500000 Ho\n0.736964 0.736964 0.000000 In\n0.263036 0.000000 0.000000 In\n0.000000 0.263036 0.000000 In\n0.666667 0.333333 0.000000 Au\n0.333333 0.666667 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
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"formula_full": "Ho3 In3 Au3",
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},
{
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"created_at": "2022-09-04T14:47:30.786651Z",
"structure_string": "Ce1 Ga3 Cu1\n1.0\n-2.123890 2.123890 5.146749\n2.123890 -2.123890 5.146749\n2.123890 2.123890 -5.146749\nCe Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.619201 0.619201 0.000000 Ga\n0.380799 0.380799 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n",
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"elements": [
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"Ga",
"Cu"
],
"chemical_system": "Ce-Cu-Ga",
"density": 7.3818357667546675,
"density_atomic": 0.05384098344111955,
"volume": 92.86606002410775,
"volume_molar": 11.185049705835716,
"formula_full": "Ce1 Ga3 Cu1",
"formula_reduced": "CeGa3Cu",
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"spacegroup": 119
},
{
"id": "mp-1113839",
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"structure_string": "Na2 Li1 Dy1 Cl6\n1.0\n0.000000 5.136254 5.136254\n5.136254 0.000000 5.136254\n5.136254 5.136254 0.000000\nNa Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.745645 0.254355 0.254355 Cl\n0.254355 0.254355 0.745645 Cl\n0.254355 0.745645 0.745645 Cl\n0.254355 0.745645 0.254355 Cl\n0.745645 0.254355 0.745645 Cl\n0.745645 0.745645 0.254355 Cl\n",
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],
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"volume": 271.0001137280618,
"volume_molar": 16.320008308463965,
"formula_full": "Na2 Li1 Dy1 Cl6",
"formula_reduced": "Na2LiDyCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:32.905000Z",
"spacegroup": 225
}
]
}