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{
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"results": [
{
"id": "mp-1185142",
"created_at": "2022-09-04T14:44:29.617845Z",
"structure_string": "Dy4 Ga21 Ni10\n1.0\n2.040330 10.487826 0.000000\n-2.040330 10.487826 0.000000\n0.000000 8.914979 12.717210\nDy Ga Ni\n4 21 10\ndirect\n0.770590 0.770590 0.323622 Dy\n0.229410 0.229410 0.676378 Dy\n0.120520 0.120520 0.166281 Dy\n0.879480 0.879480 0.833719 Dy\n0.398681 0.398681 0.497171 Ga\n0.601319 0.601319 0.502829 Ga\n0.385989 0.385989 0.204683 Ga\n0.614011 0.614011 0.795317 Ga\n0.248107 0.248107 0.205876 Ga\n0.751893 0.751893 0.794124 Ga\n0.006599 0.006599 0.409139 Ga\n0.993401 0.993401 0.590861 Ga\n0.627081 0.627081 0.305637 Ga\n0.372919 0.372919 0.694363 Ga\n0.935555 0.935555 0.294851 Ga\n0.064445 0.064445 0.705149 Ga\n0.539966 0.539966 0.131542 Ga\n0.460034 0.460034 0.868458 Ga\n0.881916 0.881916 0.055102 Ga\n0.118084 0.118084 0.944898 Ga\n0.500000 0.500000 0.000000 Ga\n0.297532 0.297532 0.003176 Ga\n0.702468 0.702468 0.996824 Ga\n0.799916 0.799916 0.501646 Ga\n0.200084 0.200084 0.498354 Ga\n0.975734 0.975734 0.105946 Ni\n0.024266 0.024266 0.894054 Ni\n0.347134 0.347134 0.389263 Ni\n0.652866 0.652866 0.610737 Ni\n0.749406 0.749406 0.115388 Ni\n0.250594 0.250594 0.884612 Ni\n0.132207 0.132207 0.397421 Ni\n0.867793 0.867793 0.602579 Ni\n0.502718 0.502718 0.314429 Ni\n0.497282 0.497282 0.685571 Ni\n",
"nsites": 35,
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"elements": [
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"Ga",
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],
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"density": 8.241092074948048,
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"volume": 544.2616416812292,
"volume_molar": 9.364629189922987,
"formula_full": "Dy4 Ga21 Ni10",
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"energy": -157.68386211,
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"updated_at": "2021-11-28T01:36:43.179000Z",
"spacegroup": 12
},
{
"id": "mp-571636",
"created_at": "2022-09-04T14:44:29.644810Z",
"structure_string": "In2 Cl2\n1.0\n2.205718 -6.219938 0.000000\n2.205718 6.219938 0.000000\n0.000000 0.000000 4.544146\nIn Cl\n2 2\ndirect\n0.386379 0.613621 0.750097 In\n0.613621 0.386379 0.250097 In\n0.155539 0.844461 0.765903 Cl\n0.844461 0.155539 0.265903 Cl\n",
"nsites": 4,
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"elements": [
"In",
"Cl"
],
"chemical_system": "Cl-In",
"density": 4.002542522245486,
"density_atomic": 0.032080540457144126,
"volume": 124.68617869276657,
"volume_molar": 18.771942972858827,
"formula_full": "In2 Cl2",
"formula_reduced": "InCl",
"formula_anonymous": "AB",
"energy": -13.67593848,
"energy_per_atom": -3.41898462,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 1.5074,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.243000Z",
"spacegroup": 36
},
{
"id": "mp-23305",
"created_at": "2022-09-04T14:44:29.663380Z",
"structure_string": "Eu4 I8\n1.0\n8.237685 0.000000 0.000000\n0.000000 7.816525 0.000000\n0.000000 1.287319 7.925425\nEu I\n4 8\ndirect\n0.945646 0.215407 0.189874 Eu\n0.445646 0.784593 0.310126 Eu\n0.054354 0.784593 0.810126 Eu\n0.554354 0.215407 0.689874 Eu\n0.769366 0.929528 0.504743 I\n0.269366 0.070472 0.995257 I\n0.230634 0.070472 0.495257 I\n0.730634 0.929528 0.004743 I\n0.889097 0.405807 0.792202 I\n0.389097 0.594193 0.707798 I\n0.110903 0.594193 0.207798 I\n0.610903 0.405807 0.292202 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Eu",
"I"
],
"chemical_system": "Eu-I",
"density": 5.281420023669875,
"density_atomic": 0.023514718457726975,
"volume": 510.3186764312196,
"volume_molar": 25.610090849380825,
"formula_full": "Eu4 I8",
"formula_reduced": "EuI2",
"formula_anonymous": "AB2",
"energy": -75.68479626999999,
"energy_per_atom": -6.307066355833332,
"energy_above_hull": null,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.842000Z",
"spacegroup": 14
},
{
"id": "mp-1203290",
"created_at": "2022-09-04T14:44:20.844248Z",
"structure_string": "Na4 Zn4 B12 H48\n1.0\n4.477952 0.000000 0.000000\n0.000000 8.667875 0.000000\n0.000000 2.287060 18.694845\nNa Zn B H\n4 4 12 48\ndirect\n0.654998 0.314515 0.362089 Na\n0.154998 0.685485 0.137911 Na\n0.345002 0.685485 0.637911 Na\n0.845002 0.314515 0.862089 Na\n0.956259 0.774643 0.393585 Zn\n0.456259 0.225357 0.106415 Zn\n0.043741 0.225357 0.606415 Zn\n0.543741 0.774643 0.893585 Zn\n0.465585 0.277847 0.988116 B\n0.965585 0.722153 0.511884 B\n0.534415 0.722153 0.011884 B\n0.034415 0.277847 0.488116 B\n0.384542 0.594657 0.822936 B\n0.884542 0.405343 0.677064 B\n0.615458 0.405343 0.177064 B\n0.115458 0.594657 0.322936 B\n0.757163 0.998148 0.351253 B\n0.257163 0.001852 0.148747 B\n0.242837 0.001852 0.648747 B\n0.742837 0.998148 0.851253 B\n0.632765 0.177934 0.020873 H\n0.132765 0.822066 0.479127 H\n0.367235 0.822066 0.979127 H\n0.867235 0.177934 0.520873 H\n0.278147 0.336601 0.026603 H\n0.778147 0.663399 0.473397 H\n0.721853 0.663399 0.973397 H\n0.221853 0.336601 0.526603 H\n0.322562 0.210730 0.946592 H\n0.822562 0.789270 0.553408 H\n0.677438 0.789270 0.053408 H\n0.177438 0.210730 0.446592 H\n0.621525 0.384885 0.962773 H\n0.121525 0.615115 0.537227 H\n0.378475 0.615115 0.037227 H\n0.878475 0.384885 0.462773 H\n0.313589 0.646130 0.762911 H\n0.813589 0.353870 0.737089 H\n0.686411 0.353870 0.237089 H\n0.186411 0.646130 0.262911 H\n0.225295 0.662425 0.864701 H\n0.725295 0.337575 0.635299 H\n0.774705 0.337575 0.135299 H\n0.274705 0.662425 0.364701 H\n0.657073 0.613874 0.831145 H\n0.157073 0.386126 0.668855 H\n0.342927 0.386126 0.168855 H\n0.842927 0.613874 0.331145 H\n0.331106 0.456838 0.838435 H\n0.831106 0.543162 0.661565 H\n0.668894 0.543162 0.161565 H\n0.168894 0.456838 0.338435 H\n0.672119 0.058032 0.402741 H\n0.172119 0.941968 0.097259 H\n0.327881 0.941968 0.597259 H\n0.827881 0.058032 0.902741 H\n0.717952 0.068884 0.292855 H\n0.217952 0.931116 0.207145 H\n0.282048 0.931116 0.707145 H\n0.782048 0.068884 0.792855 H\n0.613387 0.874595 0.350530 H\n0.113387 0.125405 0.149470 H\n0.386613 0.125405 0.649470 H\n0.886613 0.874595 0.850530 H\n0.035370 0.978408 0.355804 H\n0.535370 0.021592 0.144196 H\n0.964630 0.021592 0.644196 H\n0.464630 0.978408 0.855804 H\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Na",
"Zn",
"B",
"H"
],
"chemical_system": "B-H-Na-Zn",
"density": 1.216770048401793,
"density_atomic": 0.09371194898724047,
"volume": 725.6278493285704,
"volume_molar": 6.426225070636356,
"formula_full": "Na4 Zn4 B12 H48",
"formula_reduced": "NaZn(BH4)3",
"formula_anonymous": "ABC3D12",
"energy": -271.04004107,
"energy_per_atom": -3.985882956911764,
"energy_above_hull": null,
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"energy_uncorrected": -262.44804107,
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"updated_at": "2021-11-28T01:36:31.983000Z",
"spacegroup": 14
},
{
"id": "mp-1194614",
"created_at": "2022-09-04T14:44:29.712013Z",
"structure_string": "Fe4 H80 C32 N4 Cl16\n1.0\n8.607743 0.000000 0.000000\n0.000000 13.643424 0.000000\n0.000000 0.000000 14.869314\nFe H C N Cl\n4 80 32 4 16\ndirect\n0.721147 0.222275 0.740737 Fe\n0.278853 0.722275 0.259263 Fe\n0.721147 0.722275 0.759263 Fe\n0.278853 0.222275 0.240737 Fe\n0.272310 0.331288 0.914850 H\n0.727690 0.831288 0.085150 H\n0.272310 0.831288 0.585150 H\n0.727690 0.331288 0.414850 H\n0.238172 0.381725 0.023398 H\n0.761828 0.881725 0.976602 H\n0.238172 0.881725 0.476602 H\n0.761828 0.381725 0.523398 H\n0.501856 0.458990 0.023129 H\n0.498144 0.958990 0.976871 H\n0.501856 0.958990 0.476871 H\n0.498144 0.458990 0.523129 H\n0.504714 0.330915 0.004676 H\n0.495286 0.830915 0.995324 H\n0.504714 0.830915 0.495324 H\n0.495286 0.330915 0.504676 H\n0.538474 0.410414 0.912902 H\n0.461526 0.910414 0.087098 H\n0.538474 0.910414 0.587098 H\n0.461526 0.410414 0.412902 H\n0.404581 0.510489 0.828489 H\n0.595419 0.010489 0.171511 H\n0.404581 0.010489 0.671511 H\n0.595419 0.510489 0.328489 H\n0.225328 0.564679 0.796286 H\n0.774672 0.064679 0.203714 H\n0.225328 0.064679 0.703714 H\n0.774672 0.564679 0.296286 H\n0.130032 0.404209 0.736269 H\n0.869968 0.904209 0.263731 H\n0.130032 0.904209 0.763731 H\n0.869968 0.404209 0.236269 H\n0.312383 0.439035 0.691292 H\n0.687617 0.939035 0.308708 H\n0.312383 0.939035 0.808708 H\n0.687617 0.439035 0.191292 H\n0.305372 0.345112 0.772351 H\n0.694628 0.845112 0.227649 H\n0.305372 0.845112 0.727649 H\n0.694628 0.345112 0.272351 H\n0.995298 0.520665 0.869289 H\n0.004702 0.020665 0.130711 H\n0.995298 0.020665 0.630711 H\n0.004702 0.520665 0.369289 H\n0.029891 0.392362 0.875941 H\n0.970109 0.892362 0.124059 H\n0.029891 0.892362 0.624059 H\n0.970109 0.392362 0.375941 H\n0.964576 0.527602 0.038870 H\n0.035424 0.027602 0.961130 H\n0.964576 0.027602 0.461130 H\n0.035424 0.527602 0.538870 H\n0.835853 0.446798 0.984099 H\n0.164147 0.946798 0.015901 H\n0.835853 0.946798 0.515901 H\n0.164147 0.446798 0.484099 H\n0.995565 0.398370 0.044632 H\n0.004435 0.898370 0.955368 H\n0.995565 0.898370 0.455368 H\n0.004435 0.398370 0.544632 H\n0.377279 0.583495 0.968284 H\n0.622721 0.083495 0.031716 H\n0.377279 0.083495 0.531716 H\n0.622721 0.583495 0.468284 H\n0.219976 0.553482 0.040592 H\n0.780024 0.053482 0.959408 H\n0.219976 0.053482 0.459408 H\n0.780024 0.553482 0.540592 H\n0.042034 0.662343 0.948189 H\n0.957966 0.162343 0.051811 H\n0.042034 0.162343 0.551811 H\n0.957966 0.662343 0.448189 H\n0.206996 0.722039 0.992722 H\n0.793004 0.222039 0.007278 H\n0.206996 0.222039 0.507278 H\n0.793004 0.722039 0.492722 H\n0.201629 0.692854 0.876786 H\n0.798371 0.192854 0.123214 H\n0.201629 0.192854 0.623214 H\n0.798371 0.692854 0.376786 H\n0.297292 0.393585 0.959056 C\n0.702708 0.893585 0.040944 C\n0.297292 0.893585 0.540944 C\n0.702708 0.393585 0.459056 C\n0.471389 0.401541 0.974981 C\n0.528611 0.901541 0.025019 C\n0.471389 0.901541 0.525019 C\n0.528611 0.401541 0.474981 C\n0.279866 0.497091 0.820497 C\n0.720134 0.997091 0.179503 C\n0.279866 0.997091 0.679503 C\n0.720134 0.497091 0.320497 C\n0.252626 0.415101 0.752840 C\n0.747374 0.915101 0.247160 C\n0.252626 0.915101 0.747160 C\n0.747374 0.415101 0.252840 C\n0.043694 0.462241 0.911512 C\n0.956306 0.962241 0.088488 C\n0.043694 0.962241 0.588488 C\n0.956306 0.462241 0.411512 C\n0.958476 0.458706 0.001202 C\n0.041524 0.958706 0.998798 C\n0.958476 0.958706 0.498798 C\n0.041524 0.458706 0.501202 C\n0.251294 0.572819 0.971357 C\n0.748706 0.072819 0.028643 C\n0.251294 0.072819 0.528643 C\n0.748706 0.572819 0.471357 C\n0.168904 0.666798 0.943727 C\n0.831096 0.166798 0.056273 C\n0.168904 0.166798 0.556273 C\n0.831096 0.666798 0.443727 C\n0.217751 0.481500 0.915542 N\n0.782249 0.981500 0.084458 N\n0.217751 0.981500 0.584458 N\n0.782249 0.481500 0.415542 N\n0.720906 0.383785 0.730821 Cl\n0.279094 0.883785 0.269179 Cl\n0.720906 0.883785 0.769179 Cl\n0.279094 0.383785 0.230821 Cl\n0.946453 0.176148 0.799353 Cl\n0.053547 0.676148 0.200647 Cl\n0.946453 0.676148 0.700647 Cl\n0.053547 0.176148 0.299353 Cl\n0.692392 0.159119 0.604617 Cl\n0.307608 0.659119 0.395383 Cl\n0.692392 0.659119 0.895383 Cl\n0.307608 0.159119 0.104617 Cl\n0.527099 0.173215 0.826916 Cl\n0.472901 0.673215 0.173084 Cl\n0.527099 0.673215 0.673084 Cl\n0.472901 0.173215 0.326916 Cl\n",
"nsites": 136,
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"elements": [
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"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Fe-H-N",
"density": 1.247261833392115,
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"volume": 1746.2386669003372,
"volume_molar": 7.732422832815135,
"formula_full": "Fe4 H80 C32 N4 Cl16",
"formula_reduced": "FeH20C8NCl4",
"formula_anonymous": "ABC4D8E20",
"energy": -708.17707598,
"energy_per_atom": -5.207184382205883,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:39.503000Z",
"spacegroup": 29
},
{
"id": "mp-561461",
"created_at": "2022-09-04T14:44:31.177324Z",
"structure_string": "Cs2 K1 Mn1 F6\n1.0\n0.000000 4.608941 4.608941\n4.608941 0.000000 4.608941\n4.608941 4.608941 0.000000\nCs K Mn F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Mn\n0.215767 0.784233 0.784233 F\n0.215767 0.215767 0.784233 F\n0.784233 0.784233 0.215767 F\n0.784233 0.215767 0.784233 F\n0.784233 0.215767 0.215767 F\n0.215767 0.784233 0.215767 F\n",
"nsites": 10,
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"elements": [
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"Mn",
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],
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"density": 4.01832665351068,
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"volume": 195.80935717438913,
"volume_molar": 11.791915110292873,
"formula_full": "Cs2 K1 Mn1 F6",
"formula_reduced": "Cs2KMnF6",
"formula_anonymous": "ABC2D6",
"energy": -52.97733905,
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"spacegroup": 225
},
{
"id": "mp-10412",
"created_at": "2022-09-04T14:44:29.740791Z",
"structure_string": "Mn2 Sb4 S8\n1.0\n1.914719 6.338908 0.000000\n-1.914719 6.338908 0.000000\n0.000000 6.232514 14.194796\nMn Sb S\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.354030 0.354030 0.873365 Sb\n0.645970 0.645970 0.126635 Sb\n0.231558 0.231558 0.624190 Sb\n0.768442 0.768442 0.375810 Sb\n0.386547 0.386547 0.460549 S\n0.613453 0.613453 0.539451 S\n0.005808 0.005808 0.836707 S\n0.994192 0.994192 0.163293 S\n0.345266 0.345266 0.037344 S\n0.654734 0.654734 0.962656 S\n0.158197 0.158197 0.333309 S\n0.841803 0.841803 0.666691 S\n",
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"elements": [
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],
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"density": 4.112836594908207,
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"volume": 344.5709392018729,
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"formula_full": "Mn2 Sb4 S8",
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"energy": -76.75636551,
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{
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{
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{
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{
"id": "mp-681992",
"created_at": "2022-09-04T14:44:30.468249Z",
"structure_string": "Zr10 Pb6\n1.0\n4.496087 -7.787452 0.000000\n4.496087 7.787452 0.000000\n0.000000 0.000000 6.213825\nZr Pb\n10 6\ndirect\n0.752388 0.752388 0.250000 Zr\n0.000000 0.247612 0.250000 Zr\n0.752388 0.000000 0.750000 Zr\n0.333333 0.666667 0.500000 Zr\n0.247612 0.000000 0.250000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.752388 0.750000 Zr\n0.333333 0.666667 0.000000 Zr\n0.247612 0.247612 0.750000 Zr\n0.666667 0.333333 0.000000 Zr\n0.610357 0.610357 0.750000 Pb\n0.389643 0.000000 0.750000 Pb\n0.610357 0.000000 0.250000 Pb\n0.000000 0.389643 0.750000 Pb\n0.389643 0.389643 0.250000 Pb\n0.000000 0.610357 0.250000 Pb\n",
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{
"id": "mp-1103174",
"created_at": "2022-09-04T14:44:30.500377Z",
"structure_string": "Tl2 Fe4 S6\n1.0\n4.463634 -5.403415 0.000000\n4.463634 5.403415 0.000000\n0.000000 0.000000 5.148823\nTl Fe S\n2 4 6\ndirect\n0.341581 0.658419 0.750000 Tl\n0.658419 0.341581 0.250000 Tl\n0.142377 0.142377 0.000000 Fe\n0.142377 0.142377 0.500000 Fe\n0.857623 0.857623 0.000000 Fe\n0.857623 0.857623 0.500000 Fe\n0.887676 0.112324 0.750000 S\n0.112324 0.887676 0.250000 S\n0.386600 0.164671 0.750000 S\n0.164671 0.386600 0.250000 S\n0.613400 0.835329 0.250000 S\n0.835329 0.613400 0.750000 S\n",
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}