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{
"id": "mp-755582",
"created_at": "2022-09-04T14:41:49.435954Z",
"structure_string": "Li4 Mn2 F8\n1.0\n2.738870 4.744743 0.000000\n-2.738870 4.744743 0.000000\n0.000000 0.048327 6.134133\nLi Mn F\n4 2 8\ndirect\n0.300220 0.378991 0.165569 Li\n0.024249 0.975751 0.500000 Li\n0.022483 0.977517 0.000000 Li\n0.621009 0.699780 0.834431 Li\n0.409363 0.286446 0.674496 Mn\n0.713554 0.590637 0.325504 Mn\n0.352658 0.105483 0.950751 F\n0.150488 0.301534 0.426464 F\n0.265959 0.712381 0.741076 F\n0.794449 0.263868 0.746785 F\n0.736132 0.205551 0.253215 F\n0.287619 0.734041 0.258924 F\n0.698466 0.849512 0.573536 F\n0.894517 0.647342 0.049249 F\n",
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{
"id": "mp-755899",
"created_at": "2022-09-04T14:41:16.960458Z",
"structure_string": "Li4 Mn2 Ni4 O12\n1.0\n2.567222 -4.203961 0.000000\n2.567222 4.203961 0.000000\n0.000000 0.000000 9.997034\nLi Mn Ni O\n4 2 4 12\ndirect\n0.632303 0.132303 0.750000 Li\n0.867697 0.367697 0.250000 Li\n0.132303 0.632303 0.750000 Li\n0.367697 0.867697 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.835014 0.164986 0.500000 Ni\n0.664986 0.335014 0.000000 Ni\n0.335014 0.664986 0.000000 Ni\n0.164986 0.835014 0.500000 Ni\n0.690501 0.031248 0.107928 O\n0.309499 0.968752 0.892072 O\n0.531248 0.190501 0.392072 O\n0.809499 0.468752 0.607928 O\n0.169028 0.169028 0.595301 O\n0.330972 0.330972 0.095301 O\n0.669028 0.669028 0.904699 O\n0.968752 0.309499 0.892072 O\n0.830972 0.830972 0.404699 O\n0.190501 0.531248 0.392072 O\n0.468752 0.809499 0.607928 O\n0.031248 0.690501 0.107928 O\n",
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"formula_full": "Li4 Mn2 Ni4 O12",
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"spacegroup": 64
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{
"id": "mp-557942",
"created_at": "2022-09-04T14:41:18.398120Z",
"structure_string": "Sr2 Fe6 P6 O26\n1.0\n6.434141 0.000000 0.000000\n0.000000 7.702451 0.000000\n0.000000 1.739311 10.330438\nSr Fe P O\n2 6 6 26\ndirect\n0.250000 0.336299 0.701220 Sr\n0.750000 0.663701 0.298780 Sr\n0.250000 0.789357 0.058234 Fe\n0.000000 0.000000 0.500000 Fe\n0.750000 0.210643 0.941766 Fe\n0.250000 0.350502 0.301928 Fe\n0.750000 0.649498 0.698072 Fe\n0.500000 0.000000 0.500000 Fe\n0.250000 0.216252 0.019088 P\n0.750000 0.783748 0.980912 P\n0.750000 0.312350 0.616496 P\n0.750000 0.253163 0.262969 P\n0.250000 0.746837 0.737031 P\n0.250000 0.687650 0.383504 P\n0.250000 0.800393 0.871439 O\n0.750000 0.079322 0.367201 O\n0.059253 0.249558 0.925870 O\n0.938399 0.367419 0.287683 O\n0.559253 0.750442 0.074130 O\n0.447775 0.790856 0.408006 O\n0.561601 0.367419 0.287683 O\n0.250000 0.122352 0.410379 O\n0.940747 0.750442 0.074130 O\n0.250000 0.024164 0.092434 O\n0.947775 0.209144 0.591994 O\n0.061601 0.632581 0.712317 O\n0.052225 0.790856 0.408006 O\n0.750000 0.348830 0.759611 O\n0.250000 0.345001 0.114995 O\n0.552225 0.209144 0.591994 O\n0.438399 0.632581 0.712317 O\n0.750000 0.503557 0.541984 O\n0.750000 0.199607 0.128561 O\n0.250000 0.920678 0.632799 O\n0.250000 0.496443 0.458016 O\n0.750000 0.877648 0.589621 O\n0.440747 0.249558 0.925870 O\n0.750000 0.975836 0.907566 O\n0.750000 0.654999 0.885005 O\n0.250000 0.651170 0.240389 O\n",
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},
{
"id": "mp-770943",
"created_at": "2022-09-04T14:41:01.796574Z",
"structure_string": "Li4 Ti1 Ni5 P6 O24\n1.0\n8.389478 0.000000 0.000000\n3.897292 7.514147 0.000000\n3.896920 2.411321 7.138898\nLi Ti Ni P O\n4 1 5 6 24\ndirect\n0.252017 0.642311 0.850849 Li\n0.713274 0.349025 0.151028 Li\n0.354972 0.147360 0.710637 Li\n0.145942 0.710731 0.354262 Li\n0.147855 0.149693 0.152248 Ti\n0.990846 0.000385 0.999118 Ni\n0.641352 0.645223 0.642509 Ni\n0.507042 0.498027 0.497157 Ni\n0.857161 0.855534 0.853550 Ni\n0.355413 0.352569 0.352897 Ni\n0.946269 0.556426 0.257101 P\n0.559034 0.249209 0.950634 P\n0.252237 0.951390 0.555925 P\n0.753827 0.043309 0.454284 P\n0.445056 0.751457 0.041454 P\n0.052819 0.456812 0.754707 P\n0.529576 0.316838 0.103384 O\n0.321168 0.104001 0.524902 O\n0.099201 0.522948 0.329417 O\n0.941349 0.742696 0.091924 O\n0.009723 0.386072 0.186353 O\n0.752259 0.556751 0.406510 O\n0.751549 0.095630 0.926375 O\n0.539936 0.410238 0.764453 O\n0.834882 0.002835 0.599081 O\n0.397823 0.752298 0.562621 O\n0.903532 0.082540 0.244795 O\n0.604520 0.822681 0.982504 O\n0.388474 0.175737 0.015783 O\n0.101694 0.925632 0.752985 O\n0.596494 0.244108 0.437531 O\n0.181874 0.011062 0.387931 O\n0.437919 0.593570 0.239752 O\n0.239760 0.905336 0.085994 O\n0.249673 0.432804 0.593338 O\n0.041029 0.599462 0.824298 O\n0.081208 0.249302 0.906429 O\n0.883508 0.500505 0.704575 O\n0.690503 0.890713 0.479208 O\n0.447236 0.693782 0.894494 O\n",
"nsites": 40,
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"formula_full": "Li4 Ti1 Ni5 P6 O24",
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"energy": -291.40905793,
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"updated_at": "2021-11-28T01:35:11.015000Z",
"spacegroup": 1
},
{
"id": "mp-540609",
"created_at": "2022-09-04T14:46:06.692649Z",
"structure_string": "Cs2 Mn2 I6\n1.0\n4.179364 -7.238870 0.000000\n4.179364 7.238870 0.000000\n0.000000 0.000000 7.012802\nCs Mn I\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.160980 0.321959 0.250000 I\n0.839020 0.160980 0.750000 I\n0.321959 0.160980 0.750000 I\n0.678041 0.839020 0.250000 I\n0.160980 0.839020 0.250000 I\n0.839020 0.678041 0.750000 I\n",
"nsites": 10,
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"elements": [
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"Mn",
"I"
],
"chemical_system": "Cs-I-Mn",
"density": 4.449902395059776,
"density_atomic": 0.023566628314028396,
"volume": 424.3288376575849,
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"formula_full": "Cs2 Mn2 I6",
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"updated_at": "2021-11-28T01:37:21.730000Z",
"spacegroup": 194
},
{
"id": "mp-766539",
"created_at": "2022-09-04T14:45:58.550617Z",
"structure_string": "Li12 Fe1 Ni3 P4 C4 O28\n1.0\n6.446846 0.000000 0.000000\n0.000000 8.377666 0.000000\n0.000000 0.794319 9.909994\nLi Fe Ni P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.901653 0.618550 Li\n0.000000 0.904889 0.117795 Li\n0.229443 0.723573 0.876464 Li\n0.770557 0.723573 0.876464 Li\n0.230020 0.724679 0.377067 Li\n0.769980 0.724679 0.377067 Li\n0.728724 0.276595 0.623353 Li\n0.271276 0.276595 0.623353 Li\n0.727567 0.276458 0.122166 Li\n0.272433 0.276458 0.122166 Li\n0.500000 0.096871 0.882222 Li\n0.500000 0.097149 0.382832 Li\n0.000000 0.337277 0.390424 Fe\n0.500000 0.667272 0.604402 Ni\n0.500000 0.667784 0.103316 Ni\n0.000000 0.332676 0.896895 Ni\n0.000000 0.585759 0.641337 P\n0.000000 0.588379 0.138330 P\n0.500000 0.415005 0.860585 P\n0.500000 0.414214 0.360489 P\n0.500000 0.960757 0.648431 C\n0.500000 0.961032 0.148452 C\n0.000000 0.039361 0.851488 C\n0.000000 0.033468 0.352253 C\n0.500000 0.923428 0.524392 O\n0.000000 0.891942 0.821047 O\n0.500000 0.924164 0.024445 O\n0.500000 0.844287 0.743505 O\n0.000000 0.886573 0.320897 O\n0.500000 0.844388 0.243555 O\n0.187108 0.690531 0.589297 O\n0.812892 0.690531 0.589297 O\n0.187372 0.691973 0.085754 O\n0.812628 0.691973 0.085754 O\n0.500000 0.582336 0.914793 O\n0.000000 0.563095 0.798864 O\n0.500000 0.581591 0.415484 O\n0.000000 0.569880 0.295770 O\n0.500000 0.437572 0.702915 O\n0.000000 0.418176 0.586458 O\n0.500000 0.437399 0.202920 O\n0.000000 0.417761 0.088243 O\n0.312854 0.309345 0.912104 O\n0.687146 0.309345 0.912104 O\n0.685721 0.308689 0.412155 O\n0.314279 0.308689 0.412155 O\n0.000000 0.156074 0.756289 O\n0.500000 0.108419 0.679094 O\n0.000000 0.149458 0.255993 O\n0.000000 0.077251 0.975419 O\n0.500000 0.108694 0.179481 O\n0.000000 0.070282 0.475911 O\n",
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{
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"created_at": "2022-09-04T14:40:21.315994Z",
"structure_string": "Ti3 Cr2 Sn1 P6 O24\n1.0\n7.651628 -4.338066 0.000000\n7.651628 4.338066 0.000000\n5.192175 0.000000 7.099827\nTi Cr Sn P O\n3 2 1 6 24\ndirect\n0.855639 0.855639 0.855639 Ti\n0.644776 0.644776 0.644776 Ti\n0.356120 0.356121 0.356121 Ti\n0.997630 0.997630 0.997630 Cr\n0.500776 0.500776 0.500776 Cr\n0.144320 0.144320 0.144320 Sn\n0.461433 0.041085 0.747306 P\n0.041085 0.747306 0.461433 P\n0.747306 0.461433 0.041085 P\n0.251486 0.544879 0.956761 P\n0.956761 0.251486 0.544879 P\n0.544879 0.956761 0.251486 P\n0.695183 0.499856 0.879606 O\n0.499856 0.879606 0.695183 O\n0.083812 0.733220 0.940119 O\n0.879606 0.695183 0.499856 O\n0.199405 0.387178 0.985028 O\n0.418164 0.563369 0.767852 O\n0.940119 0.083812 0.733220 O\n0.767852 0.418164 0.563369 O\n0.620031 0.002863 0.803809 O\n0.563369 0.767852 0.418164 O\n0.268450 0.056031 0.913672 O\n0.002863 0.803809 0.620031 O\n0.985028 0.199405 0.387178 O\n0.733220 0.940119 0.083812 O\n0.441701 0.231369 0.582084 O\n0.387178 0.985028 0.199405 O\n0.231369 0.582084 0.441701 O\n0.056031 0.913672 0.268450 O\n0.582084 0.441701 0.231369 O\n0.803809 0.620031 0.002863 O\n0.122093 0.302428 0.500464 O\n0.913672 0.268450 0.056031 O\n0.500464 0.122093 0.302428 O\n0.302428 0.500464 0.122093 O\n",
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{
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"structure_string": "Ce2 P10 N4 O30\n1.0\n5.838177 4.253994 0.000000\n-5.838177 4.253994 0.000000\n0.000000 0.713114 13.141982\nCe P N O\n2 10 4 30\ndirect\n0.108239 0.915829 0.251314 Ce\n0.915829 0.108239 0.751314 Ce\n0.397306 0.000168 0.011965 P\n0.000168 0.397306 0.511965 P\n0.552001 0.797208 0.336467 P\n0.797208 0.552001 0.836467 P\n0.812899 0.020771 0.032093 P\n0.020771 0.812899 0.532093 P\n0.798145 0.620182 0.060346 P\n0.620182 0.798145 0.560346 P\n0.225332 0.442878 0.325182 P\n0.442878 0.225332 0.825182 P\n0.667504 0.370172 0.208278 N\n0.370172 0.667504 0.708278 N\n0.254239 0.473559 0.056429 N\n0.473559 0.254239 0.556429 N\n0.706541 0.781928 0.028952 O\n0.781928 0.706541 0.528952 O\n0.091888 0.912208 0.429383 O\n0.912208 0.091888 0.929383 O\n0.455627 0.566812 0.324293 O\n0.566812 0.455627 0.824293 O\n0.116175 0.579252 0.291690 O\n0.579252 0.116175 0.791690 O\n0.208033 0.256772 0.272669 O\n0.256772 0.208033 0.772669 O\n0.621743 0.459575 0.126329 O\n0.459575 0.621743 0.626329 O\n0.623866 0.084794 0.043427 O\n0.084794 0.623866 0.543427 O\n0.515714 0.818343 0.460523 O\n0.818343 0.515714 0.960523 O\n0.927612 0.062550 0.124976 O\n0.062550 0.927612 0.624976 O\n0.972320 0.682955 0.121455 O\n0.682955 0.972320 0.621455 O\n0.820578 0.347977 0.455482 O\n0.347977 0.820578 0.955482 O\n0.186153 0.384406 0.444821 O\n0.384406 0.186153 0.944821 O\n0.435105 0.912114 0.288465 O\n0.912114 0.435105 0.788465 O\n0.764073 0.841030 0.310216 O\n0.841030 0.764073 0.810216 O\n0.290450 0.010176 0.111844 O\n0.010176 0.290450 0.611844 O\n",
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