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{
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{
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{
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"structure_string": "Ca8 As4 H16 F52\n1.0\n7.312081 0.000000 0.000000\n0.000000 7.312081 0.000000\n0.000000 0.000000 17.780447\nCa As H F\n8 4 16 52\ndirect\n0.278651 0.255909 0.785311 Ca\n0.721349 0.744091 0.285311 Ca\n0.744091 0.278651 0.535311 Ca\n0.255909 0.721349 0.035311 Ca\n0.721349 0.255909 0.214689 Ca\n0.278651 0.744091 0.714689 Ca\n0.255909 0.278651 0.464689 Ca\n0.744091 0.721349 0.964689 Ca\n0.783164 0.000000 0.750000 As\n0.216836 0.000000 0.250000 As\n0.000000 0.783164 0.500000 As\n0.000000 0.216836 0.000000 As\n0.465309 0.383682 0.939389 H\n0.534691 0.616318 0.439389 H\n0.616318 0.465309 0.689389 H\n0.383682 0.534691 0.189389 H\n0.534691 0.383682 0.060611 H\n0.465309 0.616318 0.560611 H\n0.383682 0.465309 0.310611 H\n0.616318 0.534691 0.810611 H\n0.113318 0.627658 0.871747 H\n0.886682 0.372342 0.371747 H\n0.372342 0.113318 0.621747 H\n0.627658 0.886682 0.121747 H\n0.886682 0.627658 0.128253 H\n0.113318 0.372342 0.628253 H\n0.627658 0.113318 0.378253 H\n0.372342 0.886682 0.878253 H\n0.613811 0.166923 0.766821 F\n0.386189 0.833077 0.266821 F\n0.833077 0.613811 0.516821 F\n0.166923 0.386189 0.016821 F\n0.386189 0.166923 0.233179 F\n0.613811 0.833077 0.733179 F\n0.166923 0.613811 0.483179 F\n0.833077 0.386189 0.983179 F\n0.781967 0.945450 0.846401 F\n0.218033 0.054550 0.346401 F\n0.054550 0.781967 0.596401 F\n0.945450 0.218033 0.096401 F\n0.218033 0.945450 0.153599 F\n0.781967 0.054550 0.653599 F\n0.945450 0.781967 0.403599 F\n0.054550 0.218033 0.903599 F\n0.955913 0.167410 0.764139 F\n0.044087 0.832590 0.264139 F\n0.832590 0.955913 0.514139 F\n0.167410 0.044087 0.014139 F\n0.044087 0.167410 0.235861 F\n0.955913 0.832590 0.735861 F\n0.167410 0.955913 0.485861 F\n0.832590 0.044087 0.985861 F\n0.438015 0.295106 0.898177 F\n0.561985 0.704894 0.398177 F\n0.704894 0.438015 0.648177 F\n0.295106 0.561985 0.148177 F\n0.561985 0.295106 0.101823 F\n0.438015 0.704894 0.601823 F\n0.295106 0.438015 0.351823 F\n0.704894 0.561985 0.851823 F\n0.493524 0.500000 0.750000 F\n0.506476 0.500000 0.250000 F\n0.500000 0.493524 0.500000 F\n0.500000 0.506476 0.000000 F\n0.171353 0.563766 0.820254 F\n0.828647 0.436234 0.320254 F\n0.436234 0.171353 0.570254 F\n0.563766 0.828647 0.070254 F\n0.828647 0.563766 0.179746 F\n0.171353 0.436234 0.679746 F\n0.563766 0.171353 0.429746 F\n0.436234 0.828647 0.929746 F\n0.302973 0.942213 0.821532 F\n0.697027 0.057787 0.321532 F\n0.057787 0.302973 0.571532 F\n0.942213 0.697027 0.071532 F\n0.697027 0.942213 0.178468 F\n0.302973 0.057787 0.678468 F\n0.942213 0.302973 0.428468 F\n0.057787 0.697027 0.928468 F\n",
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{
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{
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"elements": [
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],
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"formula_full": "Si24 As8 H144 C48 O12",
"formula_reduced": "Si6As2H36(C4O)3",
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"updated_at": "2021-11-28T01:34:30.649000Z",
"spacegroup": 43
},
{
"id": "mp-695998",
"created_at": "2022-09-04T14:39:36.692641Z",
"structure_string": "K8 Zn4 H16\n1.0\n5.855624 0.000000 0.000000\n0.000000 7.796656 0.000000\n0.000000 0.000000 10.309511\nK Zn H\n8 4 16\ndirect\n0.250000 0.160758 0.590513 K\n0.250000 0.660758 0.909487 K\n0.750000 0.839242 0.409487 K\n0.750000 0.339242 0.090513 K\n0.250000 0.487918 0.313059 K\n0.250000 0.987918 0.186941 K\n0.750000 0.512082 0.686941 K\n0.750000 0.012082 0.813059 K\n0.250000 0.235166 0.918450 Zn\n0.250000 0.735166 0.581550 Zn\n0.750000 0.764834 0.081550 Zn\n0.750000 0.264834 0.418450 Zn\n0.018457 0.312154 0.845818 H\n0.481543 0.812154 0.654182 H\n0.518457 0.687846 0.154182 H\n0.981543 0.187846 0.345818 H\n0.981543 0.687846 0.154182 H\n0.518457 0.187846 0.345818 H\n0.481543 0.312154 0.845818 H\n0.018457 0.812154 0.654182 H\n0.250000 0.023275 0.913338 H\n0.250000 0.523275 0.586662 H\n0.750000 0.976725 0.086662 H\n0.750000 0.476725 0.413338 H\n0.250000 0.806794 0.428650 H\n0.250000 0.306794 0.071350 H\n0.750000 0.193206 0.571350 H\n0.750000 0.693206 0.928650 H\n",
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],
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"volume": 470.6733636455259,
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},
{
"id": "mp-1077191",
"created_at": "2022-09-04T14:39:39.374847Z",
"structure_string": "Li4 Tl2\n1.0\n2.350411 -5.073710 0.000000\n2.350411 5.073710 0.000000\n0.000000 0.000000 4.863936\nLi Tl\n4 2\ndirect\n0.240937 0.759063 0.750000 Li\n0.759063 0.240937 0.250000 Li\n0.585269 0.414731 0.750000 Li\n0.414731 0.585269 0.250000 Li\n0.902965 0.097035 0.750000 Tl\n0.097035 0.902965 0.250000 Tl\n",
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],
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}
]
}