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{
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{
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"created_at": "2022-09-04T14:40:00.705602Z",
"structure_string": "K2 Dy2 Be2 F12\n1.0\n0.000000 -5.860261 0.000000\n-5.921315 0.000000 2.517793\n0.002202 0.000000 -7.115900\nK Dy Be F\n2 2 2 12\ndirect\n0.750000 0.071301 0.203408 K\n0.250000 0.928699 0.796592 K\n0.750000 0.388280 0.819723 Dy\n0.250000 0.611720 0.180277 Dy\n0.750000 0.767055 0.535751 Be\n0.250000 0.232945 0.464249 Be\n0.965210 0.767189 0.405047 F\n0.034790 0.232811 0.594953 F\n0.465210 0.232811 0.594953 F\n0.534790 0.767189 0.405047 F\n0.750000 0.558671 0.591855 F\n0.250000 0.441329 0.408145 F\n0.998604 0.679821 0.965705 F\n0.001396 0.320179 0.034295 F\n0.498604 0.320179 0.034295 F\n0.501396 0.679821 0.965705 F\n0.750000 0.988436 0.736177 F\n0.250000 0.011564 0.263823 F\n",
"nsites": 18,
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"volume": 246.89245151258064,
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"formula_full": "K2 Dy2 Be2 F12",
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"spacegroup": 11
},
{
"id": "mp-1105702",
"created_at": "2022-09-04T14:40:00.720544Z",
"structure_string": "Zr8 Nb2 Ga6\n1.0\n-5.413899 5.413899 2.670340\n5.413899 -5.413899 2.670340\n5.413899 5.413899 -2.670340\nZr Nb Ga\n8 2 6\ndirect\n0.719856 0.581212 0.301068 Zr\n0.280144 0.418788 0.698932 Zr\n0.780144 0.081212 0.861357 Zr\n0.219856 0.918788 0.138643 Zr\n0.581212 0.280144 0.861357 Zr\n0.418788 0.719856 0.138643 Zr\n0.081212 0.219856 0.301068 Zr\n0.918788 0.780144 0.698932 Zr\n0.750000 0.250000 0.500000 Nb\n0.250000 0.750000 0.500000 Nb\n0.158409 0.658409 0.816818 Ga\n0.841591 0.341591 0.183182 Ga\n0.341591 0.158409 0.500000 Ga\n0.658409 0.841591 0.500000 Ga\n0.250000 0.250000 0.000000 Ga\n0.750000 0.750000 0.000000 Ga\n",
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"formula_full": "Zr8 Nb2 Ga6",
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"updated_at": "2021-11-28T01:34:43.935000Z",
"spacegroup": 140
},
{
"id": "mp-1345547",
"created_at": "2022-09-04T14:40:00.776115Z",
"structure_string": "Mg4 Ta2 Fe2 O12\n1.0\n7.618162 0.000000 0.000000\n0.000000 5.190458 0.000000\n0.000000 0.062726 5.420177\nMg Ta Fe O\n4 2 2 12\ndirect\n0.750000 0.993112 0.042460 Mg\n0.750000 0.512924 0.569458 Mg\n0.250000 0.487076 0.430542 Mg\n0.250000 0.006888 0.957540 Mg\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.431322 0.175164 0.189049 O\n0.569661 0.686352 0.320512 O\n0.568678 0.824836 0.810951 O\n0.069661 0.313648 0.679488 O\n0.250000 0.867140 0.559083 O\n0.430339 0.313648 0.679488 O\n0.930339 0.686352 0.320512 O\n0.068678 0.175164 0.189049 O\n0.750000 0.369225 0.931848 O\n0.931322 0.824836 0.810951 O\n0.250000 0.630775 0.068152 O\n0.750000 0.132860 0.440917 O\n",
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"density": 5.910028948319648,
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"volume": 214.32328333795428,
"volume_molar": 6.4534249020326175,
"formula_full": "Mg4 Ta2 Fe2 O12",
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},
{
"id": "mp-775136",
"created_at": "2022-09-04T14:40:00.794486Z",
"structure_string": "Li4 Cr3 Co3 Te2 O16\n1.0\n2.970593 5.152529 0.000000\n-2.970593 5.152529 0.000000\n0.000000 0.076268 9.682953\nLi Cr Co Te O\n4 3 3 2 16\ndirect\n0.667070 0.667070 0.089291 Li\n0.994546 0.994546 0.016941 Li\n0.997691 0.997691 0.507227 Li\n0.337054 0.337054 0.590327 Li\n0.338749 0.829684 0.786894 Cr\n0.829684 0.338749 0.786894 Cr\n0.173395 0.173395 0.286895 Cr\n0.827437 0.827437 0.785679 Co\n0.174230 0.657123 0.286381 Co\n0.657123 0.174230 0.286381 Co\n0.672579 0.672579 0.514848 Te\n0.331401 0.331401 0.015001 Te\n0.345053 0.839259 0.415386 O\n0.522104 0.522104 0.655568 O\n0.668311 0.668311 0.887032 O\n0.995780 0.995780 0.696164 O\n0.002971 0.002971 0.200777 O\n0.839259 0.345053 0.415386 O\n0.527415 0.962011 0.662510 O\n0.962011 0.527415 0.662510 O\n0.164647 0.164647 0.904620 O\n0.831873 0.831873 0.415987 O\n0.033935 0.471708 0.145448 O\n0.471708 0.033935 0.145448 O\n0.333236 0.333236 0.392072 O\n0.156660 0.666424 0.902815 O\n0.480717 0.480717 0.134874 O\n0.666424 0.156660 0.902815 O\n",
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"formula_full": "Li4 Cr3 Co3 Te2 O16",
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"formula_anonymous": "A2B3C3D4E16",
"energy": -196.68414445,
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{
"id": "mp-1228696",
"created_at": "2022-09-04T14:40:01.055486Z",
"structure_string": "Ba8 Sr4 La4 Co8 O30\n1.0\n10.288478 5.927471 0.000000\n-10.288478 5.927471 0.000000\n0.000000 0.062026 6.995705\nBa Sr La Co O\n8 4 4 8 30\ndirect\n0.667600 0.334644 0.983355 Ba\n0.334644 0.667600 0.483355 Ba\n0.344756 0.171413 0.666973 Ba\n0.825490 0.653001 0.662874 Ba\n0.825803 0.174425 0.666079 Ba\n0.653001 0.825490 0.162874 Ba\n0.171413 0.344756 0.166973 Ba\n0.174425 0.825803 0.166079 Ba\n0.999772 0.000115 0.482650 Sr\n0.000115 0.999772 0.982650 Sr\n0.950188 0.473570 0.325727 Sr\n0.473570 0.950188 0.825727 Sr\n0.521952 0.046432 0.325881 La\n0.522773 0.475662 0.329207 La\n0.046432 0.521952 0.825881 La\n0.475662 0.522773 0.829207 La\n0.347201 0.171925 0.159153 Co\n0.827730 0.649315 0.158556 Co\n0.823731 0.173067 0.157916 Co\n0.649315 0.827730 0.658556 Co\n0.171925 0.347201 0.659153 Co\n0.173067 0.823731 0.657916 Co\n0.667871 0.333388 0.526850 Co\n0.333388 0.667871 0.026850 Co\n0.605820 0.669984 0.525504 O\n0.068456 0.395108 0.529393 O\n0.328731 0.936728 0.515306 O\n0.331563 0.394646 0.527302 O\n0.607241 0.933546 0.518219 O\n0.068841 0.673799 0.525459 O\n0.394646 0.331563 0.027302 O\n0.933546 0.607241 0.018219 O\n0.673799 0.068841 0.025459 O\n0.669984 0.605820 0.025504 O\n0.395108 0.068456 0.029393 O\n0.936728 0.328731 0.015306 O\n0.832134 0.417541 0.667740 O\n0.586195 0.173777 0.653818 O\n0.584738 0.418298 0.663980 O\n0.173777 0.586195 0.153818 O\n0.417541 0.832134 0.167740 O\n0.418298 0.584738 0.163980 O\n0.492475 0.247708 0.333883 O\n0.746614 0.501831 0.332851 O\n0.750105 0.242919 0.333246 O\n0.501831 0.746614 0.832851 O\n0.247708 0.492475 0.833883 O\n0.242919 0.750105 0.833246 O\n0.816840 0.905474 0.743487 O\n0.094292 0.179771 0.742230 O\n0.096886 0.914940 0.744151 O\n0.179771 0.094292 0.242230 O\n0.905474 0.816840 0.243487 O\n0.914940 0.096886 0.244151 O\n",
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{
"id": "mp-555483",
"created_at": "2022-09-04T14:40:01.188140Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.759273 7.425374\n2.381425 0.000000 7.425374\n2.381425 4.759273 0.000000\nSi O\n4 8\ndirect\n0.563175 0.563175 0.936825 Si\n0.313175 0.313175 0.686825 Si\n0.686825 0.686825 0.313175 Si\n0.936825 0.936825 0.563175 Si\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.186217 0.813783 0.186217 O\n0.813783 0.186217 0.813783 O\n0.436217 0.063783 0.436217 O\n0.063783 0.436217 0.063783 O\n",
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{
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{
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}