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{
"id": "mp-1193778",
"created_at": "2022-09-04T14:42:09.089608Z",
"structure_string": "Rb2 Al2 H16 N8\n1.0\n0.000000 0.000000 5.774480\n7.744466 0.000000 0.000000\n0.000000 7.744466 0.000000\nRb Al H N\n2 2 16 8\ndirect\n0.277102 0.750000 0.750000 Rb\n0.722898 0.250000 0.250000 Rb\n0.000000 0.250000 0.750000 Al\n0.000000 0.750000 0.250000 Al\n0.367680 0.592711 0.184556 H\n0.367680 0.907289 0.315444 H\n0.367680 0.184556 0.907289 H\n0.367680 0.315444 0.592711 H\n0.632320 0.407289 0.815444 H\n0.632320 0.092711 0.684556 H\n0.632320 0.815444 0.092711 H\n0.632320 0.684556 0.407289 H\n0.160489 0.490427 0.083831 H\n0.160489 0.009573 0.416169 H\n0.160489 0.083831 0.009573 H\n0.160489 0.416169 0.490427 H\n0.839511 0.509573 0.916169 H\n0.839511 0.990427 0.583831 H\n0.839511 0.916169 0.990427 H\n0.839511 0.583831 0.509573 H\n0.208115 0.608194 0.130680 N\n0.208115 0.891806 0.369320 N\n0.208115 0.130680 0.891806 N\n0.208115 0.369320 0.608194 N\n0.791885 0.391806 0.869320 N\n0.791885 0.108194 0.630680 N\n0.791885 0.869320 0.108194 N\n0.791885 0.630680 0.391806 N\n",
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{
"id": "mp-1073545",
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},
{
"id": "mp-1223889",
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"structure_string": "Ho2 Fe2 Cu2\n1.0\n-2.525277 2.550382 3.762721\n2.525277 -2.550382 3.762721\n2.525277 2.550382 -3.762721\nHo Fe Cu\n2 2 2\ndirect\n0.372412 0.122412 0.250000 Ho\n0.627588 0.877588 0.750000 Ho\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
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{
"id": "mp-1251134",
"created_at": "2022-09-04T14:42:09.110754Z",
"structure_string": "V8 Zn12 Si12 O48\n1.0\n-5.952123 5.952123 5.952123\n5.952123 -5.952123 5.952123\n5.952123 5.952123 -5.952123\nV Zn Si O\n8 12 12 48\ndirect\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.375000 0.125000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.250000 0.875000 0.625000 Zn\n0.125000 0.250000 0.375000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.875000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.585853 0.893810 0.376356 O\n0.376356 0.585853 0.893810 O\n0.290503 0.307957 0.914147 O\n0.482546 0.606190 0.192043 O\n0.307957 0.893810 0.017454 O\n0.123644 0.017454 0.209497 O\n0.376356 0.290503 0.482546 O\n0.893810 0.376356 0.585853 O\n0.192043 0.209497 0.585853 O\n0.482546 0.376356 0.290503 O\n0.893810 0.017454 0.307957 O\n0.606190 0.914147 0.123644 O\n0.914147 0.123644 0.606190 O\n0.290503 0.482546 0.376356 O\n0.585853 0.192043 0.209497 O\n0.209497 0.585853 0.192043 O\n0.017454 0.307957 0.893810 O\n0.914147 0.290503 0.307957 O\n0.017454 0.209497 0.123644 O\n0.807957 0.790503 0.414147 O\n0.192043 0.482546 0.606190 O\n0.606190 0.192043 0.482546 O\n0.209497 0.123644 0.017454 O\n0.123644 0.606190 0.914147 O\n0.414147 0.106190 0.623644 O\n0.623644 0.414147 0.106190 O\n0.709497 0.692043 0.085853 O\n0.517454 0.393810 0.807957 O\n0.692043 0.106190 0.982546 O\n0.876356 0.982546 0.790503 O\n0.623644 0.709497 0.517454 O\n0.106190 0.623644 0.414147 O\n0.876356 0.393810 0.085853 O\n0.790503 0.876356 0.982546 O\n0.393810 0.807957 0.517454 O\n0.692043 0.085853 0.709497 O\n0.807957 0.517454 0.393810 O\n0.982546 0.790503 0.876356 O\n0.085853 0.709497 0.692043 O\n0.982546 0.692043 0.106190 O\n0.790503 0.414147 0.807957 O\n0.414147 0.807957 0.790503 O\n0.709497 0.517454 0.623644 O\n0.085853 0.876356 0.393810 O\n0.393810 0.085853 0.876356 O\n0.106190 0.982546 0.692043 O\n0.517454 0.623644 0.709497 O\n0.307957 0.914147 0.290503 O\n",
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"volume": 843.4817359372853,
"volume_molar": 6.349457177879354,
"formula_full": "V8 Zn12 Si12 O48",
"formula_reduced": "V2Zn3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -589.00103306,
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{
"id": "mp-610430",
"created_at": "2022-09-04T14:42:09.116589Z",
"structure_string": "Bi4 Br12\n1.0\n10.244327 0.000000 0.000000\n0.000000 7.290692 0.000000\n0.000000 2.585427 7.853716\nBi Br\n4 12\ndirect\n0.815864 0.970658 0.164948 Bi\n0.315864 0.029342 0.335052 Bi\n0.184136 0.029342 0.835052 Bi\n0.684136 0.970658 0.664948 Bi\n0.750828 0.683478 0.961060 Br\n0.250828 0.316522 0.538940 Br\n0.249172 0.316522 0.038940 Br\n0.591985 0.212519 0.831856 Br\n0.908015 0.212519 0.331856 Br\n0.749172 0.683478 0.461060 Br\n0.408015 0.787481 0.168144 Br\n0.059349 0.796647 0.188927 Br\n0.559349 0.203353 0.311073 Br\n0.440651 0.796647 0.688927 Br\n0.091985 0.787481 0.668144 Br\n0.940651 0.203353 0.811073 Br\n",
"nsites": 16,
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"elements": [
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{
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"structure_string": "V4 Co6 N8\n1.0\n5.517597 -0.229480 0.090660\n-4.413900 5.640432 0.000000\n-0.041282 -0.032305 5.643538\nV Co N\n4 6 8\ndirect\n0.642333 0.194582 0.652985 V\n0.357667 0.552249 0.847015 V\n0.357667 0.805418 0.347015 V\n0.642333 0.447751 0.152985 V\n0.242528 0.014685 0.011206 Co\n0.757472 0.772157 0.488794 Co\n0.757472 0.985315 0.988794 Co\n0.242528 0.227843 0.511206 Co\n0.000000 0.667498 0.750000 Co\n0.000000 0.332502 0.250000 Co\n0.213972 0.944896 0.530318 N\n0.786028 0.730924 0.969682 N\n0.786028 0.055104 0.469682 N\n0.213972 0.269076 0.030318 N\n0.703520 0.241540 0.993504 N\n0.296480 0.538019 0.506496 N\n0.296480 0.758460 0.006496 N\n0.703520 0.461981 0.493504 N\n",
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{
"id": "mp-1570562",
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"structure_string": "Li24 Ni4 O16\n1.0\n-0.000074 0.000254 4.664856\n6.640672 6.560643 0.000260\n-6.637429 6.558561 0.000496\nLi Ni O\n24 4 16\ndirect\n0.700235 0.251746 0.998305 Li\n0.700215 0.748255 0.501721 Li\n0.200406 0.252323 0.997724 Li\n0.200406 0.747691 0.502309 Li\n0.301603 0.752487 0.002399 Li\n0.301520 0.247517 0.497564 Li\n0.801446 0.751881 0.001823 Li\n0.801541 0.248122 0.498140 Li\n0.747969 0.281708 0.249038 Li\n0.748618 0.781710 0.752102 Li\n0.748644 0.497865 0.468275 Li\n0.748194 0.001070 0.968398 Li\n0.748559 0.502109 0.031654 Li\n0.748198 0.998954 0.531665 Li\n0.747955 0.718355 0.250960 Li\n0.748676 0.218190 0.747873 Li\n0.248416 0.281619 0.747150 Li\n0.252566 0.781638 0.251848 Li\n0.248390 0.502871 0.968207 Li\n0.252777 0.998098 0.468265 Li\n0.248345 0.497086 0.531681 Li\n0.252783 0.001923 0.031822 Li\n0.248447 0.718330 0.752826 Li\n0.252528 0.218482 0.248149 Li\n0.765421 0.000135 0.250064 Ni\n0.239054 0.500191 0.249968 Ni\n0.238908 0.999922 0.750125 Ni\n0.740833 0.500019 0.749955 Ni\n0.960435 0.134648 0.115416 O\n0.962500 0.629449 0.620595 O\n0.962533 0.370502 0.879381 O\n0.960460 0.865315 0.384591 O\n0.462950 0.131311 0.879376 O\n0.462894 0.629257 0.381411 O\n0.462806 0.370836 0.118587 O\n0.462867 0.868708 0.620702 O\n0.040575 0.634488 0.117673 O\n0.040718 0.132105 0.615566 O\n0.040622 0.867813 0.884550 O\n0.040714 0.365663 0.382189 O\n0.538305 0.871099 0.121196 O\n0.540282 0.365569 0.615633 O\n0.540376 0.634357 0.884303 O\n0.538306 0.128946 0.378827 O\n",
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{
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{
"id": "mp-1183954",
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{
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}