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{
"id": "mp-1210451",
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{
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"structure_string": "Na3 In1 Br6\n1.0\n0.000000 5.553446 5.553446\n5.553446 0.000000 5.553446\n5.553446 5.553446 0.000000\nNa In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.757772 0.242228 0.242228 Br\n0.242228 0.242228 0.757772 Br\n0.242228 0.757772 0.757772 Br\n0.242228 0.757772 0.242228 Br\n0.757772 0.242228 0.757772 Br\n0.757772 0.757772 0.242228 Br\n",
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{
"id": "mp-729796",
"created_at": "2022-09-04T14:43:37.904946Z",
"structure_string": "Bi4 C12 O36\n1.0\n8.472574 0.000000 0.000000\n0.000000 9.598289 0.000000\n0.000000 1.542599 9.994146\nBi C O\n4 12 36\ndirect\n0.092687 0.815518 0.912888 Bi\n0.592687 0.184482 0.587112 Bi\n0.907313 0.184482 0.087112 Bi\n0.407313 0.815518 0.412888 Bi\n0.974910 0.514130 0.071163 C\n0.474910 0.485870 0.428837 C\n0.025090 0.485870 0.928837 C\n0.525090 0.514130 0.571163 C\n0.380471 0.919435 0.726105 C\n0.880471 0.080565 0.773895 C\n0.619529 0.080565 0.273895 C\n0.119529 0.919435 0.226106 C\n0.382495 0.027748 0.825731 C\n0.882495 0.972252 0.674269 C\n0.617505 0.972252 0.174269 C\n0.117505 0.027748 0.325731 C\n0.984180 0.638914 0.095169 O\n0.484180 0.361086 0.404831 O\n0.015820 0.361086 0.904831 O\n0.515820 0.638914 0.595169 O\n0.927138 0.409334 0.153965 O\n0.427138 0.590666 0.346035 O\n0.072862 0.590666 0.846035 O\n0.572862 0.409334 0.653965 O\n0.288677 0.814869 0.747131 O\n0.788677 0.185131 0.752869 O\n0.711323 0.185131 0.252869 O\n0.211323 0.814869 0.247131 O\n0.469916 0.946063 0.624379 O\n0.969916 0.053937 0.875621 O\n0.530084 0.053937 0.375621 O\n0.030084 0.946063 0.124379 O\n0.458504 0.142330 0.790357 O\n0.958504 0.857670 0.709643 O\n0.541496 0.857670 0.209643 O\n0.041496 0.142330 0.290357 O\n0.305606 0.997248 0.932090 O\n0.805606 0.002752 0.567910 O\n0.694394 0.002752 0.067910 O\n0.194394 0.997248 0.432090 O\n0.652549 0.774428 0.912042 O\n0.152549 0.225572 0.587958 O\n0.347451 0.225572 0.087958 O\n0.847451 0.774428 0.412042 O\n0.451033 0.652062 0.005503 O\n0.951033 0.347938 0.494497 O\n0.548967 0.347938 0.994497 O\n0.048967 0.652062 0.505503 O\n0.099418 0.340735 0.519871 O\n0.599418 0.659265 0.980129 O\n0.900582 0.659265 0.480129 O\n0.400582 0.340735 0.019871 O\n",
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"elements": [
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"density": 3.179155232882336,
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"volume": 812.7460780191233,
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"formula_full": "Bi4 C12 O36",
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"formula_anonymous": "AB3C9",
"energy": -345.51758827,
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"spacegroup": 14
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{
"id": "mp-1397292",
"created_at": "2022-09-04T14:43:38.329884Z",
"structure_string": "Mo1 W1 O6\n1.0\n2.745054 4.725613 0.000000\n-2.745054 4.725613 0.000000\n0.000000 3.218271 4.501919\nMo W O\n1 1 6\ndirect\n0.489516 0.489516 0.496458 Mo\n0.989436 0.989436 0.995352 W\n0.744988 0.254166 0.198102 O\n0.252810 0.750450 0.699438 O\n0.748965 0.748965 0.192394 O\n0.254166 0.744988 0.198102 O\n0.750450 0.252810 0.699438 O\n0.250757 0.250757 0.695858 O\n",
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"volume": 116.79835259020578,
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"formula_full": "Mo1 W1 O6",
"formula_reduced": "MoWO6",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:36:14.160000Z",
"spacegroup": 8
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{
"id": "mp-863383",
"created_at": "2022-09-04T14:43:35.614295Z",
"structure_string": "Li4 Ni8 O4 F12\n1.0\n0.000000 -4.231169 -4.231217\n0.000001 4.305662 -4.305701\n8.607900 0.000001 -0.000002\nLi Ni O F\n4 8 4 12\ndirect\n0.750000 0.027280 0.106271 Li\n0.750000 0.527280 0.393729 Li\n0.250000 0.472720 0.606271 Li\n0.250000 0.972720 0.893729 Li\n0.500000 0.499999 0.000001 Ni\n0.999999 0.500000 0.999999 Ni\n0.250001 0.246011 0.261758 Ni\n0.250001 0.746011 0.238240 Ni\n0.999999 0.000001 0.500001 Ni\n0.499999 0.999999 0.500000 Ni\n0.749999 0.753989 0.738242 Ni\n0.750000 0.253989 0.761759 Ni\n0.749997 0.292024 0.985694 O\n0.749997 0.792024 0.514306 O\n0.250003 0.207976 0.485693 O\n0.250003 0.707976 0.014306 O\n0.750004 0.750116 0.980088 F\n0.011667 0.995049 0.248785 F\n0.488330 0.995048 0.248786 F\n0.488330 0.495048 0.251214 F\n0.011667 0.495049 0.251215 F\n0.750003 0.250116 0.519911 F\n0.249997 0.749884 0.480088 F\n0.511671 0.504952 0.748786 F\n0.988333 0.504951 0.748785 F\n0.511670 0.004952 0.751214 F\n0.988333 0.004951 0.751215 F\n0.249997 0.249884 0.019912 F\n",
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"volume": 313.64036114492166,
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{
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"created_at": "2022-09-04T14:43:38.691736Z",
"structure_string": "Hf2 S1 N2\n1.0\n-1.755514 2.076835 5.732730\n1.755514 -2.076835 5.732730\n1.755514 2.076835 -5.732730\nHf S N\n2 1 2\ndirect\n0.825671 0.325671 0.500000 Hf\n0.174329 0.674329 0.500000 Hf\n0.000000 0.000000 0.000000 S\n0.720588 0.720588 0.000000 N\n0.279412 0.279412 0.000000 N\n",
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{
"id": "mp-1342473",
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"structure_string": "Sr4 Al2 Ga2 Ni4 O14\n1.0\n2.588058 11.414725 0.000000\n-2.588058 11.414725 0.000000\n0.000000 0.651547 5.607677\nSr Al Ga Ni O\n4 2 2 4 14\ndirect\n0.844678 0.349853 0.252615 Sr\n0.155285 0.639685 0.746410 Sr\n0.349853 0.844678 0.752615 Sr\n0.639685 0.155285 0.246410 Sr\n0.498990 0.995788 0.499700 Al\n0.995788 0.498990 0.999700 Al\n0.301131 0.689792 0.206559 Ga\n0.689792 0.301131 0.706559 Ga\n0.072104 0.536397 0.364796 Ni\n0.458238 0.922218 0.137490 Ni\n0.536397 0.072104 0.864796 Ni\n0.922218 0.458238 0.637490 Ni\n0.281691 0.153980 0.825865 O\n0.365324 0.622045 0.874888 O\n0.153980 0.281691 0.325865 O\n0.724312 0.114170 0.809291 O\n0.414962 0.221983 0.529412 O\n0.221983 0.414962 0.029412 O\n0.622045 0.365324 0.374888 O\n0.711591 0.840879 0.176841 O\n0.840879 0.711591 0.676841 O\n0.114170 0.724312 0.309291 O\n0.283575 0.864928 0.211467 O\n0.864928 0.283575 0.711467 O\n0.771157 0.580742 0.971742 O\n0.580742 0.771157 0.471742 O\n",
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{
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"structure_string": "Na4 Gd4 Ti4 O16\n1.0\n5.311026 0.000000 0.000000\n0.000000 5.423285 0.000000\n0.000000 0.000000 12.654087\nNa Gd Ti O\n4 4 4 16\ndirect\n0.750000 0.991727 0.586268 Na\n0.750000 0.491727 0.413732 Na\n0.250000 0.008273 0.413732 Na\n0.250000 0.508273 0.586268 Na\n0.750000 0.977469 0.893393 Gd\n0.750000 0.477469 0.106607 Gd\n0.250000 0.022531 0.106607 Gd\n0.250000 0.522531 0.893393 Gd\n0.750000 0.991811 0.265201 Ti\n0.750000 0.491811 0.734799 Ti\n0.250000 0.008189 0.734799 Ti\n0.250000 0.508189 0.265201 Ti\n0.000000 0.750000 0.215479 O\n0.500000 0.250000 0.784521 O\n0.000000 0.250000 0.784521 O\n0.500000 0.750000 0.215479 O\n0.000000 0.750000 0.756350 O\n0.500000 0.250000 0.243650 O\n0.000000 0.250000 0.243650 O\n0.500000 0.750000 0.756350 O\n0.750000 0.064921 0.065249 O\n0.750000 0.564921 0.934751 O\n0.250000 0.935079 0.934751 O\n0.250000 0.435079 0.065249 O\n0.750000 0.958436 0.403437 O\n0.750000 0.458436 0.596563 O\n0.250000 0.041564 0.596563 O\n0.250000 0.541564 0.403437 O\n",
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{
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"structure_string": "Sr6 Al2 N6\n1.0\n7.661494 -0.000028 0.000000\n-3.830770 6.634851 0.000000\n0.000000 0.000000 5.395857\nSr Al N\n6 2 6\ndirect\n0.927822 0.640655 0.250000 Sr\n0.712833 0.072177 0.250000 Sr\n0.359345 0.287167 0.250000 Sr\n0.072178 0.359345 0.750000 Sr\n0.287167 0.927823 0.750000 Sr\n0.640655 0.712833 0.750000 Sr\n0.666662 0.333330 0.750000 Al\n0.333338 0.666670 0.250000 Al\n0.893931 0.589510 0.750000 N\n0.695580 0.106071 0.750000 N\n0.410492 0.304420 0.750000 N\n0.106069 0.410490 0.250000 N\n0.304420 0.893929 0.250000 N\n0.589508 0.695580 0.250000 N\n",
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{
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