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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:43:41.214413Z",
"structure_string": "Mg6 Ag12 O24\n1.0\n3.206787 -5.554318 0.000000\n3.206787 5.554318 0.000000\n0.000000 0.000000 15.461905\nMg Ag O\n6 12 24\ndirect\n0.333333 0.666667 0.952195 Mg\n0.000000 0.000000 0.624547 Mg\n0.000000 0.000000 0.997573 Mg\n0.666667 0.333333 0.285851 Mg\n0.333333 0.666667 0.710832 Mg\n0.000000 0.000000 0.377784 Mg\n0.836062 0.672123 0.834497 Ag\n0.327877 0.163938 0.834497 Ag\n0.500412 0.000824 0.500104 Ag\n0.836062 0.163938 0.834497 Ag\n0.666667 0.333333 0.667422 Ag\n0.999176 0.499588 0.500104 Ag\n0.165289 0.330577 0.165420 Ag\n0.500412 0.499588 0.500104 Ag\n0.165289 0.834711 0.165420 Ag\n0.333333 0.666667 0.333865 Ag\n0.669423 0.834711 0.165420 Ag\n0.666667 0.333333 0.043497 Ag\n0.690421 0.845211 0.919209 O\n0.000000 0.000000 0.755512 O\n0.154789 0.845211 0.919209 O\n0.154789 0.309579 0.919209 O\n0.505731 0.011463 0.755348 O\n0.343443 0.171721 0.581969 O\n0.505731 0.494269 0.755348 O\n0.666667 0.333333 0.904603 O\n0.828279 0.171721 0.581969 O\n0.666667 0.333333 0.417334 O\n0.988537 0.494269 0.755348 O\n0.828279 0.656557 0.581969 O\n0.172471 0.344943 0.418360 O\n0.018975 0.509488 0.241108 O\n0.172471 0.827529 0.418360 O\n0.333333 0.666667 0.580411 O\n0.333333 0.666667 0.083257 O\n0.490512 0.509488 0.241108 O\n0.655057 0.827529 0.418360 O\n0.490512 0.981025 0.241108 O\n0.854708 0.709417 0.088864 O\n0.000000 0.000000 0.249906 O\n0.854708 0.145292 0.088864 O\n0.290583 0.145292 0.088864 O\n",
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{
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"structure_string": "K4 V4 O10\n1.0\n-2.965682 3.107752 7.310463\n2.965682 -3.107752 7.310463\n2.965682 3.107752 -7.310463\nK V O\n4 4 10\ndirect\n0.856851 0.400163 0.488237 K\n0.143149 0.631386 0.543312 K\n0.411926 0.900163 0.543312 K\n0.588074 0.131386 0.488237 K\n0.000000 0.042524 0.042524 V\n0.500000 0.542524 0.042524 V\n0.832253 0.774778 0.107031 V\n0.167747 0.274778 0.942524 V\n0.737232 0.726107 0.445099 O\n0.262768 0.707866 0.988874 O\n0.781008 0.226107 0.988874 O\n0.218992 0.207866 0.445099 O\n0.816992 0.851829 0.950621 O\n0.183008 0.133629 0.034837 O\n0.401208 0.351829 0.034837 O\n0.598792 0.633629 0.950621 O\n0.938844 0.067718 0.506562 O\n0.061156 0.567718 0.128875 O\n",
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{
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{
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"structure_string": "Ca2 Ti6 P6 O26\n1.0\n6.473573 0.000000 0.000000\n0.000000 7.754991 0.000000\n0.000000 1.767257 10.254303\nCa Ti P O\n2 6 6 26\ndirect\n0.750000 0.349678 0.191420 Ca\n0.250000 0.650322 0.808580 Ca\n0.250000 0.648788 0.199889 Ti\n0.750000 0.351212 0.800111 Ti\n0.250000 0.207392 0.436405 Ti\n0.500000 0.000000 0.000000 Ti\n0.750000 0.792608 0.563595 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.780720 0.490684 P\n0.750000 0.219280 0.509316 P\n0.250000 0.262855 0.761485 P\n0.750000 0.737145 0.238515 P\n0.750000 0.682169 0.884747 P\n0.250000 0.317831 0.115253 P\n0.750000 0.640037 0.742448 O\n0.561469 0.249447 0.416315 O\n0.250000 0.215094 0.624877 O\n0.551088 0.786709 0.902682 O\n0.750000 0.340807 0.609947 O\n0.750000 0.133626 0.904904 O\n0.250000 0.659193 0.390053 O\n0.051088 0.213291 0.097318 O\n0.250000 0.974140 0.416095 O\n0.750000 0.025860 0.583905 O\n0.063540 0.378942 0.785339 O\n0.250000 0.866374 0.095096 O\n0.563540 0.621058 0.214661 O\n0.750000 0.495061 0.964982 O\n0.750000 0.784906 0.375123 O\n0.448912 0.213291 0.097318 O\n0.938531 0.249447 0.416315 O\n0.438531 0.750553 0.583685 O\n0.436460 0.378942 0.785339 O\n0.250000 0.359963 0.257552 O\n0.750000 0.909414 0.134956 O\n0.250000 0.090586 0.865044 O\n0.936460 0.621058 0.214661 O\n0.948912 0.786709 0.902682 O\n0.061469 0.750553 0.583685 O\n0.250000 0.504939 0.035018 O\n",
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],
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"updated_at": "2021-11-28T01:36:14.064000Z",
"spacegroup": 11
},
{
"id": "mp-755881",
"created_at": "2022-09-04T14:43:41.233108Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n1.974796 7.705575 0.000000\n-1.974796 7.705575 0.000000\n0.000000 1.365690 9.092091\nBa Ti N O\n2 6 2 11\ndirect\n0.543020 0.543020 0.236069 Ba\n0.443933 0.443933 0.771946 Ba\n0.110879 0.110879 0.907337 Ti\n0.168334 0.168334 0.562103 Ti\n0.233592 0.233592 0.228882 Ti\n0.753660 0.753660 0.759584 Ti\n0.822328 0.822328 0.437067 Ti\n0.864589 0.864589 0.100042 Ti\n0.700795 0.700795 0.574492 N\n0.755589 0.755589 0.234271 N\n0.070337 0.070337 0.706548 O\n0.126459 0.126459 0.383180 O\n0.158905 0.158905 0.088950 O\n0.633587 0.633587 0.887935 O\n0.237941 0.237941 0.763819 O\n0.296246 0.296246 0.425235 O\n0.357940 0.357940 0.105505 O\n0.832834 0.832834 0.906050 O\n0.867714 0.867714 0.614082 O\n0.922158 0.922158 0.290034 O\n0.998088 0.998088 0.996801 O\n",
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"density_atomic": 0.07589239081993816,
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"formula_full": "Ba2 Ti6 N2 O11",
"formula_reduced": "Ba2Ti6N2O11",
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"updated_at": "2021-11-28T01:36:13.926000Z",
"spacegroup": 8
},
{
"id": "mp-1247246",
"created_at": "2022-09-04T14:43:41.403549Z",
"structure_string": "Sr4 Sn4 N8\n1.0\n6.746921 0.000000 0.425111\n0.000000 7.556860 0.000000\n-2.092084 0.000000 5.845277\nSr Sn N\n4 4 8\ndirect\n0.354010 0.891636 0.685988 Sr\n0.645990 0.391636 0.814012 Sr\n0.645990 0.108364 0.314012 Sr\n0.354010 0.608364 0.185988 Sr\n0.137374 0.352719 0.605075 Sn\n0.862626 0.852719 0.894925 Sn\n0.862626 0.647281 0.394925 Sn\n0.137374 0.147281 0.105075 Sn\n0.184659 0.884601 0.004288 N\n0.815341 0.384601 0.495712 N\n0.815341 0.115399 0.995712 N\n0.184659 0.615399 0.504288 N\n0.294867 0.321053 0.945703 N\n0.705133 0.821053 0.554297 N\n0.705133 0.678947 0.054297 N\n0.294867 0.178947 0.445703 N\n",
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"volume": 304.7454181308148,
"volume_molar": 11.470123774680143,
"formula_full": "Sr4 Sn4 N8",
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"formation_energy": null,
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"updated_at": "2021-11-28T01:36:18.845000Z",
"spacegroup": 14
}
]
}