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{
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{
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{
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{
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"structure_string": "Li4 Bi4 P16 O48\n1.0\n5.244489 -5.924596 0.000000\n5.244489 5.924596 0.000000\n0.000000 0.000000 17.598995\nLi Bi P O\n4 4 16 48\ndirect\n0.794640 0.908605 0.142027 Li\n0.205360 0.091395 0.642027 Li\n0.091395 0.205360 0.357973 Li\n0.908605 0.794640 0.857973 Li\n0.977411 0.587887 0.139998 Bi\n0.587887 0.977411 0.860002 Bi\n0.412113 0.022589 0.360002 Bi\n0.022589 0.412113 0.639998 Bi\n0.689333 0.213880 0.509191 P\n0.349083 0.349083 0.500000 P\n0.715450 0.679622 0.692963 P\n0.744775 0.034244 0.654963 P\n0.255225 0.965756 0.154963 P\n0.359920 0.640080 0.750000 P\n0.320378 0.284550 0.807037 P\n0.034244 0.744775 0.345037 P\n0.965756 0.255225 0.845037 P\n0.284550 0.320378 0.192963 P\n0.650917 0.650917 0.000000 P\n0.640080 0.359920 0.250000 P\n0.310667 0.786120 0.009191 P\n0.679622 0.715450 0.307037 P\n0.786120 0.310667 0.990809 P\n0.213880 0.689333 0.490809 P\n0.939367 0.355651 0.775186 O\n0.195434 0.614552 0.707167 O\n0.898851 0.067377 0.850857 O\n0.534177 0.785492 0.345788 O\n0.355651 0.939367 0.224814 O\n0.222039 0.260859 0.269675 O\n0.349255 0.549752 0.488540 O\n0.260859 0.222039 0.730325 O\n0.511995 0.622998 0.691463 O\n0.644349 0.060633 0.724814 O\n0.650745 0.450248 0.988540 O\n0.622998 0.511995 0.308537 O\n0.285248 0.257282 0.428204 O\n0.067377 0.898851 0.149143 O\n0.614552 0.195434 0.292833 O\n0.834123 0.732778 0.367015 O\n0.310447 0.863292 0.482247 O\n0.165877 0.267222 0.867015 O\n0.899682 0.348934 0.058737 O\n0.742718 0.714752 0.071796 O\n0.863292 0.310447 0.517753 O\n0.377002 0.488005 0.808537 O\n0.101149 0.932623 0.350857 O\n0.689553 0.136708 0.982247 O\n0.639017 0.103876 0.585480 O\n0.732778 0.834123 0.632985 O\n0.488005 0.377002 0.191463 O\n0.348934 0.899682 0.941263 O\n0.714752 0.742718 0.928204 O\n0.103876 0.639017 0.414520 O\n0.100318 0.651066 0.558737 O\n0.651066 0.100318 0.441263 O\n0.465823 0.214508 0.845788 O\n0.385448 0.804566 0.792833 O\n0.257282 0.285248 0.571796 O\n0.804566 0.385448 0.207167 O\n0.739141 0.777961 0.230325 O\n0.360983 0.896124 0.085480 O\n0.267222 0.165877 0.132985 O\n0.060633 0.644349 0.275186 O\n0.450248 0.650745 0.011460 O\n0.214508 0.465823 0.154212 O\n0.549752 0.349255 0.511460 O\n0.932623 0.101149 0.649143 O\n0.777961 0.739141 0.769675 O\n0.896124 0.360983 0.914520 O\n0.136708 0.689553 0.017753 O\n0.785492 0.534177 0.654212 O\n",
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"density": 5.715600438174673,
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"volume": 256.9517826837954,
"volume_molar": 11.052855741819616,
"formula_full": "Tb2 W2 Cl2 O8",
"formula_reduced": "TbWClO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:38:30.015000Z",
"spacegroup": 12
},
{
"id": "mp-1040243",
"created_at": "2022-09-04T14:47:59.129862Z",
"structure_string": "K1 Mg30 W1 O32\n1.0\n8.618193 0.000000 0.000000\n0.000000 8.618193 0.000000\n0.000000 0.000000 8.611045\nK Mg W O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246102 0.246102 0.000000 Mg\n0.753898 0.246102 0.000000 Mg\n0.246102 0.753898 0.000000 Mg\n0.753898 0.753898 0.000000 Mg\n0.249072 0.249072 0.500000 Mg\n0.750928 0.249072 0.500000 Mg\n0.249072 0.750928 0.500000 Mg\n0.750928 0.750928 0.500000 Mg\n0.250445 0.000000 0.251946 Mg\n0.749555 0.000000 0.251946 Mg\n0.244752 0.500000 0.254100 Mg\n0.755248 0.500000 0.254100 Mg\n0.250445 0.000000 0.748054 Mg\n0.749555 0.000000 0.748054 Mg\n0.244752 0.500000 0.745900 Mg\n0.755248 0.500000 0.745900 Mg\n0.000000 0.250445 0.251946 Mg\n0.500000 0.244752 0.254100 Mg\n0.000000 0.749555 0.251946 Mg\n0.500000 0.755248 0.254100 Mg\n0.000000 0.250445 0.748054 Mg\n0.500000 0.244752 0.745900 Mg\n0.000000 0.749555 0.748054 Mg\n0.500000 0.755248 0.745900 Mg\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.273649 O\n0.500000 0.000000 0.254659 O\n0.000000 0.500000 0.254659 O\n0.500000 0.500000 0.253887 O\n0.000000 0.000000 0.726351 O\n0.500000 0.000000 0.745341 O\n0.000000 0.500000 0.745341 O\n0.500000 0.500000 0.746113 O\n0.250920 0.250920 0.249170 O\n0.749080 0.250920 0.249170 O\n0.250920 0.749080 0.249170 O\n0.749080 0.749080 0.249170 O\n0.250920 0.250920 0.750830 O\n0.749080 0.250920 0.750830 O\n0.250920 0.749080 0.750830 O\n0.749080 0.749080 0.750830 O\n0.273564 0.000000 0.000000 O\n0.726436 0.000000 0.000000 O\n0.248946 0.500000 0.000000 O\n0.751054 0.500000 0.000000 O\n0.254993 0.000000 0.500000 O\n0.745007 0.000000 0.500000 O\n0.252028 0.500000 0.500000 O\n0.747972 0.500000 0.500000 O\n0.000000 0.273564 0.000000 O\n0.500000 0.248946 0.000000 O\n0.000000 0.726436 0.000000 O\n0.500000 0.751054 0.000000 O\n0.000000 0.254993 0.500000 O\n0.500000 0.252028 0.500000 O\n0.000000 0.745007 0.500000 O\n0.500000 0.747972 0.500000 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "K-Mg-O-W",
"density": 3.8012145420478447,
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"volume": 639.5703030858556,
"volume_molar": 6.018097486092007,
"formula_full": "K1 Mg30 W1 O32",
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"updated_at": "2021-11-28T01:38:30.303000Z",
"spacegroup": 123
}
]
}