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{
"id": "mp-776560",
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"structure_string": "Li6 Mn3 V3 P6 O24 F6\n1.0\n12.852420 2.453147 6.718852\n-0.732225 5.298493 0.055697\n-2.034457 -2.804792 6.564727\nLi Mn V P O F\n6 3 3 6 24 6\ndirect\n0.026830 0.401315 0.785978 Li\n0.307560 0.266696 0.880242 Li\n0.360154 0.067993 0.451485 Li\n0.638513 0.932561 0.549463 Li\n0.693607 0.733355 0.117589 Li\n0.972749 0.597959 0.215346 Li\n0.334478 0.667991 0.668083 Mn\n0.497930 0.998936 0.999979 Mn\n0.833656 0.666806 0.666895 Mn\n0.000898 0.999491 0.002571 V\n0.166795 0.331286 0.332520 V\n0.665833 0.333541 0.333485 V\n0.148106 0.972074 0.613587 P\n0.186002 0.692748 0.049758 P\n0.518784 0.361747 0.721218 P\n0.480526 0.637470 0.280333 P\n0.813990 0.304147 0.947714 P\n0.852853 0.029619 0.387817 P\n0.093078 0.064364 0.819464 O\n0.120670 0.702727 0.489636 O\n0.116916 0.199023 0.536774 O\n0.080024 0.699581 0.035337 O\n0.237744 0.596289 0.843952 O\n0.252478 0.972349 0.629972 O\n0.212260 0.962619 0.174159 O\n0.215190 0.467789 0.129054 O\n0.414276 0.361329 0.699871 O\n0.427183 0.734560 0.486078 O\n0.451631 0.869133 0.208051 O\n0.545902 0.632154 0.843434 O\n0.453438 0.368195 0.157852 O\n0.550205 0.132249 0.792498 O\n0.574248 0.274004 0.514489 O\n0.586385 0.630688 0.297442 O\n0.784145 0.534582 0.876699 O\n0.786989 0.036076 0.823947 O\n0.747836 0.034566 0.368157 O\n0.759379 0.394731 0.154621 O\n0.919452 0.299195 0.968203 O\n0.883563 0.797942 0.457076 O\n0.880900 0.297841 0.509537 O\n0.907642 0.938028 0.180518 O\n0.047474 0.286665 0.216961 F\n0.373164 0.968638 0.892151 F\n0.283302 0.363091 0.434308 F\n0.705302 0.614224 0.542920 F\n0.628305 0.053070 0.123126 F\n0.961655 0.718563 0.789649 F\n",
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"formula_full": "Li6 Mn3 V3 P6 O24 F6",
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"spacegroup": 1
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{
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"structure_string": "Cu1 Rh2 Pb1\n1.0\n0.000000 3.166661 3.166661\n3.166661 0.000000 3.166661\n3.166661 3.166661 0.000000\nCu Rh Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n0.750000 0.750000 0.750000 Pb\n",
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"formula_full": "Cu1 Rh2 Pb1",
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"updated_at": "2021-11-28T01:34:24.085000Z",
"spacegroup": 225
},
{
"id": "mp-558690",
"created_at": "2022-09-04T14:39:10.656524Z",
"structure_string": "Zn2 B8 O14\n1.0\n3.274346 -5.456846 0.000000\n3.274346 5.456846 0.000000\n0.000000 0.000000 5.221128\nZn B O\n2 8 14\ndirect\n0.766103 0.766103 0.750000 Zn\n0.233897 0.233897 0.250000 Zn\n0.702429 0.297571 0.500000 B\n0.297571 0.702429 0.000000 B\n0.702429 0.297571 0.000000 B\n0.689564 0.924631 0.250000 B\n0.924631 0.689564 0.250000 B\n0.297571 0.702429 0.500000 B\n0.075369 0.310436 0.750000 B\n0.310436 0.075369 0.750000 B\n0.920341 0.920341 0.250000 O\n0.445806 0.189307 0.976941 O\n0.079659 0.079659 0.750000 O\n0.554194 0.810693 0.023059 O\n0.810693 0.554194 0.476941 O\n0.195503 0.754926 0.250000 O\n0.445806 0.189307 0.523059 O\n0.189307 0.445806 0.976941 O\n0.245074 0.804497 0.750000 O\n0.810693 0.554194 0.023059 O\n0.754926 0.195503 0.250000 O\n0.189307 0.445806 0.523059 O\n0.804497 0.245074 0.750000 O\n0.554194 0.810693 0.476941 O\n",
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"spacegroup": 63
},
{
"id": "mp-28257",
"created_at": "2022-09-04T14:39:23.888296Z",
"structure_string": "S8 O8 F16\n1.0\n7.301630 0.000000 0.000000\n0.000000 5.437658 0.000000\n0.000000 1.899725 14.898571\nS O F\n8 8 16\ndirect\n0.778213 0.535011 0.648867 S\n0.278213 0.464989 0.851133 S\n0.221787 0.464989 0.351133 S\n0.721787 0.535011 0.148867 S\n0.840123 0.952682 0.863771 S\n0.340123 0.047318 0.636229 S\n0.159877 0.047318 0.136229 S\n0.659877 0.952682 0.363771 S\n0.025786 0.972775 0.832371 O\n0.801776 0.494866 0.744476 O\n0.301776 0.505134 0.755524 O\n0.198224 0.505134 0.255524 O\n0.698224 0.494866 0.244476 O\n0.525786 0.027225 0.667629 O\n0.974214 0.027225 0.167629 O\n0.474214 0.972775 0.332371 O\n0.590098 0.768563 0.113393 F\n0.090098 0.231437 0.386607 F\n0.409902 0.231437 0.886607 F\n0.911011 0.334857 0.608902 F\n0.909902 0.768563 0.613393 F\n0.588989 0.334857 0.108902 F\n0.088989 0.665143 0.391098 F\n0.411011 0.665143 0.891098 F\n0.675601 0.135519 0.441173 F\n0.175601 0.864481 0.058827 F\n0.324399 0.864481 0.558827 F\n0.824399 0.135519 0.941173 F\n0.666060 0.702180 0.436195 F\n0.166060 0.297820 0.063805 F\n0.333940 0.297820 0.563805 F\n0.833940 0.702180 0.936195 F\n",
"nsites": 32,
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"elements": [
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],
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"density": 1.932725550465043,
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"volume": 591.5293883771138,
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"formula_full": "S8 O8 F16",
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"updated_at": "2021-11-28T01:34:24.092000Z",
"spacegroup": 14
},
{
"id": "mp-1220804",
"created_at": "2022-09-04T14:39:27.127950Z",
"structure_string": "Na3 Ho3 Ir3 O12\n1.0\n0.000000 0.000000 -3.246390\n-4.799477 -8.312937 0.000000\n-4.562574 8.176161 0.000000\nNa Ho Ir O\n3 3 3 12\ndirect\n0.000000 0.016406 0.000000 Na\n0.500000 0.300463 0.300243 Na\n0.500000 0.000219 0.699757 Na\n0.500000 0.316471 0.658473 Ho\n0.500000 0.657998 0.341527 Ho\n0.500000 0.701936 0.000000 Ho\n0.000000 0.331701 0.000000 Ir\n0.000000 0.672676 0.674766 Ir\n0.000000 0.997910 0.325234 Ir\n0.500000 0.463031 0.000000 O\n0.500000 0.545097 0.544224 O\n0.500000 0.000873 0.455776 O\n0.500000 0.200754 0.000000 O\n0.500000 0.805830 0.820026 O\n0.500000 0.985804 0.179974 O\n0.000000 0.466337 0.250183 O\n0.000000 0.782647 0.539710 O\n0.000000 0.743805 0.192955 O\n0.000000 0.216154 0.749817 O\n0.000000 0.242938 0.460290 O\n0.000000 0.550850 0.807045 O\n",
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],
"chemical_system": "Ho-Ir-Na-O",
"density": 8.831563935981887,
"density_atomic": 0.08382467237723594,
"volume": 250.52289981514937,
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"formula_full": "Na3 Ho3 Ir3 O12",
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"formula_anonymous": "ABCD4",
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"spacegroup": 38
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{
"id": "mp-1233001",
"created_at": "2022-09-04T14:39:25.967897Z",
"structure_string": "Ba3 Li1 As2 O8\n1.0\n5.743624 0.185997 6.500067\n2.585992 5.131906 6.500067\n0.291332 0.185997 8.669211\nBa Li As O\n3 1 2 8\ndirect\n0.787262 0.787262 0.787262 Ba\n0.220952 0.220952 0.220952 Ba\n0.986628 0.986628 0.986628 Ba\n0.101585 0.101585 0.101585 Li\n0.596035 0.596035 0.596035 As\n0.403520 0.403520 0.403520 As\n0.667848 0.667848 0.667848 O\n0.322961 0.322961 0.322961 O\n0.729564 0.729564 0.251113 O\n0.729564 0.251113 0.729564 O\n0.251113 0.729564 0.729564 O\n0.276638 0.758025 0.276638 O\n0.276638 0.276638 0.758025 O\n0.758025 0.276638 0.276638 O\n",
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"formula_full": "Ba3 Li1 As2 O8",
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"spacegroup": 160
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{
"id": "mp-1093892",
"created_at": "2022-09-04T14:39:41.514803Z",
"structure_string": "Ta1 In1 Os2\n1.0\n-4.866465 5.640925 7.728982\n4.866465 -5.640925 7.728982\n4.866465 5.640925 -7.728982\nTa In Os\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.000000 0.273489 0.273489 Os\n0.000000 0.726511 0.726511 Os\n",
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{
"id": "mp-1043146",
"created_at": "2022-09-04T14:39:30.372088Z",
"structure_string": "Mg4 Ni4 Mo4 P8 O36\n1.0\n6.466110 -0.001879 0.003097\n-0.002170 7.617730 -0.002655\n0.006871 -0.005351 14.156618\nMg Ni Mo P O\n4 4 4 8 36\ndirect\n0.750093 0.947317 0.784105 Mg\n0.749986 0.552792 0.283984 Mg\n0.249929 0.052499 0.215891 Mg\n0.250075 0.447315 0.715981 Mg\n0.500010 0.000047 0.000038 Ni\n0.499945 0.499987 0.500044 Ni\n0.999942 0.499964 0.500064 Ni\n0.999952 0.000094 0.999963 Ni\n0.750159 0.358098 0.883022 Mo\n0.249878 0.641975 0.116951 Mo\n0.250208 0.859032 0.617208 Mo\n0.749848 0.141001 0.382786 Mo\n0.250140 0.347582 0.925310 P\n0.749879 0.652497 0.074652 P\n0.750130 0.847461 0.574654 P\n0.249861 0.152522 0.425331 P\n0.750064 0.377890 0.688653 P\n0.249961 0.622028 0.311360 P\n0.250134 0.877755 0.811669 P\n0.749913 0.122235 0.188322 P\n0.042804 0.615356 0.366353 O\n0.542871 0.384657 0.633809 O\n0.957078 0.115343 0.133625 O\n0.457064 0.884478 0.866174 O\n0.957221 0.384556 0.633689 O\n0.457125 0.615240 0.366213 O\n0.042905 0.884687 0.866309 O\n0.542952 0.115550 0.133831 O\n0.249658 0.334599 0.470363 O\n0.750117 0.665363 0.529716 O\n0.750001 0.834535 0.029675 O\n0.249946 0.165544 0.970299 O\n0.749048 0.127905 0.936720 O\n0.250669 0.872206 0.063273 O\n0.250114 0.627419 0.563345 O\n0.749756 0.372450 0.436827 O\n0.749990 0.207409 0.752475 O\n0.250074 0.792539 0.247548 O\n0.249760 0.707451 0.747248 O\n0.750316 0.292547 0.252752 O\n0.431548 0.123593 0.356096 O\n0.931828 0.876765 0.643769 O\n0.568401 0.623390 0.143963 O\n0.068397 0.376607 0.856165 O\n0.568489 0.876492 0.643949 O\n0.068232 0.123194 0.356215 O\n0.431640 0.376633 0.856013 O\n0.931642 0.623422 0.143786 O\n0.749808 0.974078 0.265150 O\n0.250265 0.025877 0.734808 O\n0.250031 0.473995 0.234703 O\n0.749988 0.526020 0.765261 O\n0.750033 0.986332 0.495857 O\n0.250063 0.013545 0.504094 O\n0.249938 0.486713 0.004073 O\n0.750123 0.513420 0.995868 O\n",
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{
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"structure_string": "Pm2 Cu1 Si1\n1.0\n0.000000 3.583137 3.583137\n3.583137 0.000000 3.583137\n3.583137 3.583137 0.000000\nPm Cu Si\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pm\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Si\n",
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{
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