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{
"id": "mp-769529",
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"structure_string": "Na10 Mn4 P4 C4 O28\n1.0\n5.227996 0.000000 0.000000\n0.130346 11.223657 0.000000\n0.101285 3.181582 10.783986\nNa Mn P C O\n10 4 4 4 28\ndirect\n0.241491 0.114198 0.125254 Na\n0.750273 0.370630 0.371678 Na\n0.753877 0.627897 0.123819 Na\n0.756015 0.117810 0.629971 Na\n0.242727 0.585786 0.333701 Na\n0.757273 0.414214 0.666299 Na\n0.243985 0.882190 0.370029 Na\n0.249727 0.629370 0.628322 Na\n0.246123 0.372103 0.876181 Na\n0.758509 0.885802 0.874746 Na\n0.777194 0.299581 0.054963 Mn\n0.219194 0.191366 0.447180 Mn\n0.780806 0.808634 0.552820 Mn\n0.222806 0.700419 0.945037 Mn\n0.705217 0.084076 0.331574 P\n0.298873 0.416225 0.163882 P\n0.701127 0.583775 0.836118 P\n0.294783 0.915924 0.668426 P\n0.276097 0.837431 0.088405 C\n0.266168 0.346244 0.593946 C\n0.733832 0.653756 0.406054 C\n0.723903 0.162569 0.911595 C\n0.794640 0.136156 0.194025 O\n0.406451 0.092318 0.336565 O\n0.165128 0.340813 0.087731 O\n0.819291 0.162897 0.411903 O\n0.598616 0.401564 0.148862 O\n0.207027 0.052590 0.620484 O\n0.230157 0.557507 0.118049 O\n0.229994 0.373863 0.303462 O\n0.471554 0.303801 0.553167 O\n0.480782 0.797235 0.045339 O\n0.059874 0.798701 0.049711 O\n0.043125 0.317431 0.560278 O\n0.729385 0.096284 0.838449 O\n0.716824 0.581620 0.334235 O\n0.283176 0.418380 0.665765 O\n0.270615 0.903716 0.161551 O\n0.956875 0.682569 0.439722 O\n0.940126 0.201299 0.950289 O\n0.528446 0.696199 0.446833 O\n0.519218 0.202765 0.954661 O\n0.769843 0.442493 0.881951 O\n0.792973 0.947410 0.379516 O\n0.770006 0.626137 0.696538 O\n0.401384 0.598436 0.851138 O\n0.180709 0.837103 0.588097 O\n0.834872 0.659187 0.912269 O\n0.593549 0.907682 0.663435 O\n0.205360 0.863844 0.805975 O\n",
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"formula_reduced": "Na5Mn2P2(CO7)2",
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"spacegroup": 2
},
{
"id": "mp-1343966",
"created_at": "2022-09-04T14:39:46.377152Z",
"structure_string": "Co9 O13\n1.0\n1.501412 4.912937 0.000000\n-1.501412 4.912937 0.000000\n0.000000 2.498196 16.748643\nCo O\n9 13\ndirect\n0.500000 0.500000 0.500000 Co\n0.351597 0.351597 0.042954 Co\n0.648403 0.648403 0.957046 Co\n0.250798 0.250798 0.416911 Co\n0.749202 0.749202 0.583089 Co\n0.062044 0.062044 0.126842 Co\n0.937956 0.937956 0.873158 Co\n0.012608 0.012608 0.325294 Co\n0.987392 0.987392 0.674706 Co\n0.000000 0.000000 0.000000 O\n0.108589 0.108589 0.226405 O\n0.891411 0.891411 0.773595 O\n0.704197 0.704197 0.064302 O\n0.295803 0.295803 0.935698 O\n0.429437 0.429437 0.131735 O\n0.570563 0.570563 0.868265 O\n0.380063 0.380063 0.330367 O\n0.619937 0.619937 0.669633 O\n0.609706 0.609706 0.395548 O\n0.390294 0.390294 0.604452 O\n0.866540 0.866540 0.473946 O\n0.133460 0.133460 0.526054 O\n",
"nsites": 22,
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"elements": [
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"formula_full": "Co9 O13",
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"spacegroup": 12
},
{
"id": "mp-865467",
"created_at": "2022-09-04T14:39:47.170141Z",
"structure_string": "Pm2 Sn1 Au1\n1.0\n0.000000 3.788632 3.788632\n3.788632 0.000000 3.788632\n3.788632 3.788632 0.000000\nPm Sn Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Au\n",
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"density": 9.247250137317062,
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"updated_at": "2021-11-28T01:34:33.661000Z",
"spacegroup": 225
},
{
"id": "mp-1026717",
"created_at": "2022-09-04T14:39:33.429591Z",
"structure_string": "Sr1 Mg14 Si1\n1.0\n6.556527 0.126559 0.000000\n-3.168660 5.488280 0.000000\n0.000000 0.000000 10.466417\nSr Mg Si\n1 14 1\ndirect\n0.149680 0.824839 0.125000 Sr\n0.158544 0.329271 0.625000 Mg\n0.167393 0.833696 0.625000 Mg\n0.642068 0.331258 0.125000 Mg\n0.664706 0.327012 0.625000 Mg\n0.642068 0.810809 0.125000 Mg\n0.664706 0.837693 0.625000 Mg\n0.338652 0.175724 0.383406 Mg\n0.338652 0.175724 0.866594 Mg\n0.338652 0.662929 0.383406 Mg\n0.338652 0.662929 0.866594 Mg\n0.847132 0.173566 0.357369 Mg\n0.847132 0.173566 0.892631 Mg\n0.828294 0.664147 0.390207 Mg\n0.828294 0.664147 0.859793 Mg\n0.205379 0.352689 0.125000 Si\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Si-Sr",
"density": 1.9882420579537805,
"density_atomic": 0.04201444522203503,
"volume": 380.8214035778483,
"volume_molar": 14.333500604791062,
"formula_full": "Sr1 Mg14 Si1",
"formula_reduced": "SrMg14Si",
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"updated_at": "2021-11-28T01:34:33.659000Z",
"spacegroup": 38
},
{
"id": "mp-1188427",
"created_at": "2022-09-04T14:39:43.959802Z",
"structure_string": "Dy8 Te12\n1.0\n0.000000 6.156561 13.211531\n4.353821 0.000000 13.211531\n4.353821 6.156561 0.000000\nDy Te\n8 12\ndirect\n0.332678 0.332678 0.167322 Dy\n0.167322 0.167322 0.332678 Dy\n0.917322 0.917322 0.082678 Dy\n0.082678 0.082678 0.917322 Dy\n0.999811 0.999811 0.500189 Dy\n0.500189 0.500189 0.999811 Dy\n0.250189 0.250189 0.749811 Dy\n0.749811 0.749811 0.250189 Dy\n0.998730 0.501270 0.501270 Te\n0.501270 0.998730 0.998730 Te\n0.251270 0.748730 0.748730 Te\n0.748730 0.251270 0.251270 Te\n0.665742 0.168687 0.834006 Te\n0.834006 0.331565 0.665742 Te\n0.331565 0.834006 0.168687 Te\n0.168687 0.665742 0.331565 Te\n0.584258 0.081313 0.415994 Te\n0.415994 0.918435 0.584258 Te\n0.918435 0.415994 0.081313 Te\n0.081313 0.584258 0.918435 Te\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Dy-Te",
"density": 6.6378547760914355,
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"volume": 708.2586715050421,
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"formula_full": "Dy8 Te12",
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"updated_at": "2021-11-28T01:34:33.656000Z",
"spacegroup": 70
},
{
"id": "mp-1220707",
"created_at": "2022-09-04T14:39:49.886868Z",
"structure_string": "Na2 Zn4 Cd2 F14\n1.0\n-3.680310 3.734696 5.261147\n3.680310 -3.734696 5.261147\n3.680310 3.734696 -5.261147\nNa Zn Cd F\n2 4 2 14\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.332550 0.591980 0.170109 F\n0.921871 0.162441 0.329891 F\n0.327772 0.577772 0.750000 F\n0.913196 0.163196 0.750000 F\n0.332550 0.162441 0.740570 F\n0.921871 0.591980 0.759430 F\n0.667450 0.408020 0.829891 F\n0.078129 0.837559 0.670109 F\n0.672228 0.422228 0.250000 F\n0.086804 0.836804 0.250000 F\n0.667450 0.837559 0.259430 F\n0.078129 0.408020 0.240570 F\n0.633392 0.883392 0.750000 F\n0.366608 0.116608 0.250000 F\n",
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{
"id": "mp-975173",
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"structure_string": "Rb1 Y1 O3\n1.0\n4.543095 0.000000 0.000000\n0.000000 4.543095 0.000000\n0.000000 0.000000 4.543095\nRb Y O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-559337",
"created_at": "2022-09-04T14:39:14.939186Z",
"structure_string": "Nd14 S12 Cl18\n1.0\n6.742773 0.000000 0.000000\n0.000000 7.018496 0.000000\n0.000000 3.317230 24.349942\nNd S Cl\n14 12 18\ndirect\n0.711210 0.750000 0.000000 Nd\n0.304306 0.876325 0.857304 Nd\n0.717232 0.506707 0.579110 Nd\n0.288790 0.250000 0.000000 Nd\n0.695694 0.376325 0.857304 Nd\n0.695464 0.636795 0.283566 Nd\n0.282768 0.006707 0.579110 Nd\n0.304536 0.363205 0.716434 Nd\n0.695464 0.863205 0.716434 Nd\n0.304536 0.136795 0.283566 Nd\n0.717232 0.993293 0.420890 Nd\n0.695694 0.123675 0.142696 Nd\n0.282768 0.493293 0.420890 Nd\n0.304306 0.623675 0.142696 Nd\n0.448067 0.617562 0.783475 S\n0.464853 0.926153 0.071414 S\n0.551933 0.382438 0.216525 S\n0.464853 0.573847 0.928586 S\n0.535147 0.426153 0.071414 S\n0.447707 0.811660 0.359400 S\n0.552293 0.188340 0.640600 S\n0.535147 0.073847 0.928586 S\n0.552293 0.311660 0.359400 S\n0.551933 0.117562 0.783475 S\n0.447707 0.688340 0.640600 S\n0.448067 0.882438 0.216525 S\n0.932268 0.732218 0.811070 Cl\n0.067732 0.267782 0.188930 Cl\n0.894591 0.622512 0.442225 Cl\n0.083743 0.031443 0.680783 Cl\n0.083743 0.468557 0.319217 Cl\n0.956285 0.437260 0.940413 Cl\n0.551598 0.250000 0.500000 Cl\n0.105409 0.377488 0.557775 Cl\n0.043715 0.562740 0.059587 Cl\n0.894591 0.877488 0.557775 Cl\n0.916257 0.531443 0.680783 Cl\n0.448402 0.750000 0.500000 Cl\n0.105409 0.122512 0.442225 Cl\n0.916257 0.968557 0.319217 Cl\n0.956285 0.062740 0.059587 Cl\n0.932268 0.767782 0.188930 Cl\n0.043715 0.937260 0.940413 Cl\n0.067732 0.232218 0.811070 Cl\n",
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"formula_full": "Nd14 S12 Cl18",
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{
"id": "mp-667314",
"created_at": "2022-09-04T14:39:13.246853Z",
"structure_string": "Ba18 Ta4 N24\n1.0\n8.172024 0.000000 0.000000\n0.363162 9.790937 0.000000\n0.927685 2.995766 12.516011\nBa Ta N\n18 4 24\ndirect\n0.468036 0.621101 0.127329 Ba\n0.988900 0.929399 0.267664 Ba\n0.457227 0.924486 0.264448 Ba\n0.265772 0.701501 0.848319 Ba\n0.961351 0.751379 0.625516 Ba\n0.008368 0.381490 0.891714 Ba\n0.542773 0.075514 0.735552 Ba\n0.172877 0.584357 0.380506 Ba\n0.011100 0.070601 0.732336 Ba\n0.531964 0.378899 0.872671 Ba\n0.827123 0.415643 0.619494 Ba\n0.038649 0.248621 0.374484 Ba\n0.502228 0.667070 0.580728 Ba\n0.256579 0.014726 0.001859 Ba\n0.743421 0.985274 0.998141 Ba\n0.734228 0.298499 0.151681 Ba\n0.991632 0.618510 0.108286 Ba\n0.497772 0.332930 0.419272 Ba\n0.730602 0.702153 0.878403 Ta\n0.730628 0.636372 0.338618 Ta\n0.269372 0.363628 0.661382 Ta\n0.269398 0.297847 0.121597 Ta\n0.196172 0.548000 0.692950 N\n0.262268 0.467846 0.004359 N\n0.214283 0.946213 0.447690 N\n0.261059 0.937266 0.534587 N\n0.709266 0.636341 0.745013 N\n0.753535 0.791775 0.209392 N\n0.302821 0.924386 0.622629 N\n0.148101 0.319576 0.546345 N\n0.542734 0.827680 0.912086 N\n0.784736 0.197822 0.820323 N\n0.697179 0.075614 0.377371 N\n0.737732 0.532154 0.995641 N\n0.803828 0.452000 0.307050 N\n0.503931 0.368318 0.619595 N\n0.215264 0.802178 0.179677 N\n0.738941 0.062734 0.465413 N\n0.785717 0.053787 0.552310 N\n0.062017 0.196998 0.127184 N\n0.290734 0.363659 0.254987 N\n0.851899 0.680424 0.453655 N\n0.937983 0.803002 0.872816 N\n0.496069 0.631682 0.380405 N\n0.457266 0.172320 0.087914 N\n0.246465 0.208225 0.790608 N\n",
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