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{
"id": "mp-1206317",
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{
"id": "mp-1076521",
"created_at": "2022-09-04T14:41:25.030863Z",
"structure_string": "Ba4 Ti4 O10\n1.0\n-2.915706 2.916007 8.023949\n2.915706 -2.916007 8.023949\n2.915706 2.916007 -8.023949\nBa Ti O\n4 4 10\ndirect\n0.115943 0.118290 0.997654 Ba\n0.884057 0.881710 0.002346 Ba\n0.620636 0.618290 0.002346 Ba\n0.379364 0.381710 0.997654 Ba\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.287930 0.750000 0.537930 Ti\n0.712070 0.250000 0.462070 Ti\n0.746888 0.746888 0.500000 O\n0.253112 0.753112 0.000000 O\n0.746888 0.246888 0.000000 O\n0.253112 0.253112 0.500000 O\n0.110802 0.630498 0.480304 O\n0.889198 0.369502 0.519696 O\n0.650194 0.130498 0.519696 O\n0.349806 0.869502 0.480304 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1208893",
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"structure_string": "Sn7 S2 I6\n1.0\n2.232991 7.331501 0.000000\n-2.232991 7.331501 0.000000\n0.000000 6.548885 16.745167\nSn S I\n7 2 6\ndirect\n0.600749 0.600749 0.052374 Sn\n0.399251 0.399251 0.947626 Sn\n0.625068 0.625068 0.526784 Sn\n0.374932 0.374932 0.473216 Sn\n0.000000 0.000000 0.000000 Sn\n0.780568 0.780568 0.278643 Sn\n0.219432 0.219432 0.721357 Sn\n0.804880 0.804880 0.419486 S\n0.195120 0.195120 0.580514 S\n0.249000 0.249000 0.119217 I\n0.751000 0.751000 0.880783 I\n0.446826 0.446826 0.240602 I\n0.553174 0.553174 0.759398 I\n0.886042 0.886042 0.625317 I\n0.113958 0.113958 0.374683 I\n",
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{
"id": "mp-1113045",
"created_at": "2022-09-04T14:41:25.035935Z",
"structure_string": "Cs2 K1 In1 I6\n1.0\n0.000000 6.338563 6.338563\n6.338563 0.000000 6.338563\n6.338563 6.338563 0.000000\nCs K In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 In\n0.767699 0.232301 0.232301 I\n0.232301 0.232301 0.767699 I\n0.232301 0.767699 0.767699 I\n0.232301 0.767699 0.232301 I\n0.767699 0.232301 0.767699 I\n0.767699 0.767699 0.232301 I\n",
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{
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{
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"created_at": "2022-09-04T14:41:25.169161Z",
"structure_string": "K4 Fe4 O8\n1.0\n-1.882098 -6.156657 -0.000380\n6.710425 -0.368626 -0.029661\n0.915208 -1.962433 6.544025\nK Fe O\n4 4 8\ndirect\n0.742208 0.656856 0.688235 K\n0.242211 0.656853 0.688233 K\n0.257790 0.343148 0.311766 K\n0.757793 0.343144 0.311765 K\n0.921885 0.866587 0.179103 Fe\n0.578115 0.133412 0.820893 Fe\n0.421885 0.866583 0.179109 Fe\n0.078112 0.133409 0.820887 Fe\n0.017161 0.165915 0.097204 O\n0.517158 0.165916 0.097206 O\n0.982844 0.834087 0.902802 O\n0.482839 0.834084 0.902794 O\n0.890497 0.242952 0.680842 O\n0.390498 0.242953 0.680842 O\n0.109504 0.757050 0.319158 O\n0.609501 0.757053 0.319160 O\n",
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{
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{
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"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.161478 0.061976 -4.560640\n0.004231 12.908353 -0.165630\n0.302901 -0.176314 14.042970\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.276667 0.820902 0.001865 K\n0.780806 0.359505 0.485431 K\n0.734011 0.170075 0.010011 K\n0.248011 0.689026 0.483240 K\n0.367938 0.166800 0.530455 Mg\n0.475817 0.921279 0.758864 Zn\n0.540345 0.435854 0.769142 Zn\n0.511589 0.064273 0.239621 Zn\n0.476160 0.577321 0.238580 Zn\n0.832747 0.266608 0.817020 H\n0.170787 0.764895 0.702194 H\n0.179746 0.733411 0.199839 H\n0.727342 0.238063 0.262952 H\n0.988459 0.343389 0.936017 H\n0.021348 0.840476 0.584852 H\n0.027377 0.660841 0.074780 H\n0.924828 0.178599 0.390350 H\n0.937085 0.167218 0.709666 H\n0.080588 0.636229 0.782506 H\n0.063073 0.854287 0.273954 H\n0.922903 0.349887 0.220585 H\n0.806608 0.093970 0.738116 H\n0.364791 0.650116 0.844368 H\n0.343992 0.859970 0.331057 H\n0.634346 0.371624 0.138122 H\n0.356255 0.433621 0.552609 Br\n0.720681 0.883894 0.974892 Br\n0.711645 0.613592 0.458754 Br\n0.279479 0.086347 0.018105 Br\n0.250500 0.391581 0.802506 Br\n0.707431 0.902016 0.684502 Br\n0.724355 0.601288 0.176453 Br\n0.231304 0.077111 0.286467 Br\n0.274904 0.090045 0.714329 Br\n0.741080 0.603383 0.852566 Br\n0.740499 0.900262 0.322445 Br\n0.269443 0.409241 0.174165 Br\n0.188531 0.810556 0.650919 O\n0.817587 0.317107 0.866712 O\n0.733545 0.194925 0.323323 O\n0.196048 0.688673 0.145155 O\n0.208611 0.689098 0.810701 O\n0.793447 0.165279 0.709832 O\n0.758091 0.314935 0.171644 O\n0.211051 0.810347 0.305847 O\n",
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"elements": [
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],
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"volume_molar": 12.757667204488376,
"formula_full": "K4 Mg1 Zn4 H16 Br12 O8",
"formula_reduced": "K4MgZn4H16(Br3O2)4",
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"updated_at": "2021-11-28T01:35:23.574000Z",
"spacegroup": 1
},
{
"id": "mp-1198572",
"created_at": "2022-09-04T14:41:25.068194Z",
"structure_string": "Yb2 Al2 B28\n1.0\n-2.947954 4.127493 5.222208\n2.947954 -4.127493 5.222208\n2.947954 4.127493 -5.222208\nYb Al B\n2 2 28\ndirect\n0.601377 0.250000 0.351377 Yb\n0.398623 0.750000 0.648623 Yb\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.631289 0.666683 0.964606 B\n0.368711 0.333317 0.035394 B\n0.202077 0.166683 0.035394 B\n0.797923 0.833317 0.964606 B\n0.770721 0.145533 0.625187 B\n0.229279 0.854467 0.374813 B\n0.020346 0.645533 0.374813 B\n0.979654 0.354467 0.625187 B\n0.921644 0.088926 0.832718 B\n0.078356 0.911074 0.167282 B\n0.756209 0.588926 0.167282 B\n0.243791 0.411074 0.832718 B\n0.398196 0.397245 0.675266 B\n0.601804 0.277070 0.999050 B\n0.221979 0.897245 0.999050 B\n0.778021 0.777070 0.675266 B\n0.601804 0.602755 0.324734 B\n0.398196 0.722930 0.000950 B\n0.778021 0.102755 0.000950 B\n0.221979 0.222930 0.324734 B\n0.032297 0.831429 0.704643 B\n0.967703 0.672346 0.799132 B\n0.626786 0.331429 0.799132 B\n0.373214 0.172346 0.704643 B\n0.967703 0.168571 0.295357 B\n0.032297 0.327654 0.200868 B\n0.373214 0.668571 0.200868 B\n0.626786 0.827654 0.295357 B\n",
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"elements": [
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],
"chemical_system": "Al-B-Yb",
"density": 4.591233837341237,
"density_atomic": 0.12590088223107196,
"volume": 254.16819511454142,
"volume_molar": 4.783239524046602,
"formula_full": "Yb2 Al2 B28",
"formula_reduced": "YbAlB14",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:35:17.925000Z",
"spacegroup": 74
},
{
"id": "mp-1214143",
"created_at": "2022-09-04T14:41:25.068013Z",
"structure_string": "Ca12 Mn8 O48\n1.0\n-6.410692 6.410692 6.410692\n6.410692 -6.410692 6.410692\n6.410692 6.410692 -6.410692\nCa Mn O\n12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.456192 0.381958 0.307444 O\n0.543808 0.618042 0.692556 O\n0.574514 0.148748 0.192556 O\n0.925486 0.118042 0.574235 O\n0.307444 0.456192 0.381958 O\n0.351252 0.925486 0.307444 O\n0.425486 0.851252 0.807444 O\n0.074514 0.881958 0.425765 O\n0.692556 0.543808 0.618042 O\n0.648748 0.074514 0.692556 O\n0.043808 0.351252 0.925765 O\n0.192556 0.574514 0.148748 O\n0.118042 0.043808 0.192556 O\n0.956192 0.648748 0.074235 O\n0.807444 0.425486 0.851252 O\n0.881958 0.956192 0.807444 O\n0.574235 0.925486 0.118042 O\n0.148748 0.456192 0.574235 O\n0.425765 0.074514 0.881958 O\n0.851252 0.543808 0.425765 O\n0.925765 0.043808 0.351252 O\n0.381958 0.574514 0.925765 O\n0.074235 0.956192 0.648748 O\n0.618042 0.425486 0.074235 O\n0.381958 0.307444 0.456192 O\n0.574514 0.925765 0.381958 O\n0.618042 0.692556 0.543808 O\n0.425486 0.074235 0.618042 O\n0.118042 0.574235 0.925486 O\n0.043808 0.192556 0.118042 O\n0.881958 0.425765 0.074514 O\n0.956192 0.807444 0.881958 O\n0.351252 0.925765 0.043808 O\n0.925486 0.307444 0.351252 O\n0.648748 0.074235 0.956192 O\n0.074514 0.692556 0.648748 O\n0.148748 0.192556 0.574514 O\n0.456192 0.574235 0.148748 O\n0.851252 0.807444 0.425486 O\n0.543808 0.425765 0.851252 O\n0.307444 0.351252 0.925486 O\n0.692556 0.648748 0.074514 O\n0.192556 0.118042 0.043808 O\n0.807444 0.881958 0.956192 O\n0.925765 0.381958 0.574514 O\n0.074235 0.618042 0.425486 O\n0.574235 0.148748 0.456192 O\n0.425765 0.851252 0.543808 O\n",
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"volume": 1053.8401164179443,
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"formula_full": "Ca12 Mn8 O48",
"formula_reduced": "Ca3Mn2O12",
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"updated_at": "2021-11-28T01:35:18.206000Z",
"spacegroup": 230
},
{
"id": "mp-1207619",
"created_at": "2022-09-04T14:41:24.910070Z",
"structure_string": "Yb4 Mg2 Ti2 O12\n1.0\n5.651579 0.000000 0.000000\n0.000000 5.354306 0.000000\n0.000000 5.165280 7.622735\nYb Mg Ti O\n4 2 2 12\ndirect\n0.064942 0.723334 0.755158 Yb\n0.935058 0.276666 0.244842 Yb\n0.564942 0.276666 0.744842 Yb\n0.435058 0.723334 0.255158 Yb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.466823 0.856612 0.745046 O\n0.533177 0.143388 0.254954 O\n0.966823 0.143388 0.754954 O\n0.033177 0.856612 0.245046 O\n0.783254 0.749852 0.556532 O\n0.216746 0.250148 0.443468 O\n0.283254 0.250148 0.943468 O\n0.716746 0.749852 0.056532 O\n0.301550 0.660300 0.547170 O\n0.698450 0.339700 0.452830 O\n0.801550 0.339700 0.952830 O\n0.198450 0.660300 0.047170 O\n",
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],
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"volume": 230.66612099566586,
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"formula_full": "Yb4 Mg2 Ti2 O12",
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"updated_at": "2021-11-28T01:35:20.704000Z",
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}
]
}