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},
{
"id": "mp-1245258",
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"structure_string": "Ga50 N50\n1.0\n12.018042 0.183399 0.069219\n0.189924 10.943930 -0.050337\n0.053464 -0.061203 11.379915\nGa N\n50 50\ndirect\n0.739377 0.754849 0.546001 Ga\n0.347288 0.335104 0.275411 Ga\n0.926158 0.332744 0.776234 Ga\n0.671300 0.626714 0.326921 Ga\n0.517137 0.288055 0.097383 Ga\n0.570608 0.751970 0.725112 Ga\n0.622121 0.992584 0.923509 Ga\n0.075289 0.584598 0.559825 Ga\n0.752655 0.231735 0.181524 Ga\n0.988821 0.536598 0.980761 Ga\n0.828320 0.759811 0.936454 Ga\n0.083647 0.841997 0.039980 Ga\n0.621614 0.524189 0.581477 Ga\n0.722689 0.278401 0.910270 Ga\n0.081188 0.412074 0.413177 Ga\n0.407780 0.654014 0.876917 Ga\n0.743920 0.083781 0.347108 Ga\n0.723648 0.508458 0.051257 Ga\n0.917026 0.595240 0.199067 Ga\n0.900258 0.058045 0.874101 Ga\n0.975791 0.025370 0.322761 Ga\n0.448427 0.557852 0.094813 Ga\n0.896361 0.362063 0.263811 Ga\n0.367359 0.743572 0.223948 Ga\n0.424196 0.572648 0.646520 Ga\n0.458712 0.156805 0.362794 Ga\n0.217520 0.068563 0.253559 Ga\n0.269053 0.545630 0.394179 Ga\n0.950110 0.785651 0.602423 Ga\n0.699630 0.130651 0.675056 Ga\n0.128585 0.377329 0.191437 Ga\n0.485019 0.726319 0.439168 Ga\n0.272938 0.863803 0.799079 Ga\n0.189006 0.638592 0.844995 Ga\n0.515189 0.935114 0.260540 Ga\n0.133783 0.091589 0.931572 Ga\n0.563330 0.000647 0.551685 Ga\n0.623391 0.777400 0.134167 Ga\n0.246834 0.788213 0.580521 Ga\n0.103278 0.781104 0.334991 Ga\n0.827471 0.933044 0.107951 Ga\n0.826287 0.794934 0.343198 Ga\n0.170208 0.147294 0.472027 Ga\n0.142771 0.331195 0.695336 Ga\n0.355462 0.892770 0.040835 Ga\n0.206658 0.577104 0.130772 Ga\n0.925784 0.229787 0.552296 Ga\n0.330305 0.936019 0.453813 Ga\n0.872978 0.540135 0.462729 Ga\n0.815897 0.584079 0.790270 Ga\n0.615640 0.349000 0.340675 N\n0.082636 0.555135 0.740776 N\n0.720634 0.367435 0.581188 N\n0.082219 0.283506 0.531006 N\n0.098037 0.761750 0.516966 N\n0.112477 0.658429 0.004234 N\n0.991102 0.439048 0.126462 N\n0.702325 0.642761 0.681171 N\n0.403264 0.096016 0.527540 N\n0.533047 0.407585 0.868219 N\n0.807501 0.518734 0.304006 N\n0.601023 0.607004 0.105940 N\n0.351088 0.093175 0.794378 N\n0.706868 0.869743 0.019539 N\n0.421811 0.850767 0.882862 N\n0.442868 0.111013 0.789772 N\n0.526485 0.089596 0.039115 N\n0.807966 0.974444 0.652178 N\n0.224183 0.239179 0.215338 N\n0.849148 0.616125 0.044551 N\n0.263349 0.371872 0.936015 N\n0.301295 0.282747 0.966458 N\n0.373631 0.350142 0.570768 N\n0.964425 0.719980 0.294744 N\n0.087389 0.989352 0.708971 N\n0.226928 0.678146 0.278326 N\n0.576271 0.819640 0.562890 N\n0.591022 0.040656 0.380537 N\n0.077807 0.045488 0.626390 N\n0.005837 0.161829 0.102823 N\n0.873421 0.942680 0.725098 N\n0.934380 0.894763 0.987282 N\n0.306886 0.121325 0.569034 N\n0.883761 0.118700 0.431610 N\n0.363137 0.010715 0.306763 N\n0.101607 0.943005 0.240138 N\n0.489360 0.378106 0.785648 N\n0.915781 0.162450 0.066516 N\n0.988076 0.512884 0.799068 N\n0.721948 0.114069 0.853987 N\n0.835765 0.954087 0.269331 N\n0.566731 0.437286 0.324502 N\n0.813489 0.378536 0.537773 N\n0.207976 0.923429 0.959726 N\n0.680981 0.335191 0.064949 N\n0.345277 0.646589 0.518725 N\n0.527013 0.878421 0.839262 N\n0.472789 0.015022 0.100676 N\n0.459349 0.315634 0.541803 N\n0.792247 0.411451 0.844279 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.64612086109844,
"density_atomic": 0.06683314002839222,
"volume": 1496.2636793291135,
"volume_molar": 9.010710490995425,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:35:59.121000Z",
"spacegroup": 1
},
{
"id": "mp-1216224",
"created_at": "2022-09-04T14:42:45.163281Z",
"structure_string": "Y3 Mn2 Sb3 O14\n1.0\n5.128930 -5.128933 0.156465\n-5.128916 -0.156452 5.128910\n-0.156446 -5.128913 -5.128903\nY Mn Sb O\n3 2 3 14\ndirect\n0.999994 0.499997 0.000003 Y\n0.500006 0.000003 0.000000 Y\n0.499996 0.499997 0.500000 Y\n0.499989 0.500020 0.999986 Mn\n0.000023 0.000017 0.500006 Mn\n0.499998 0.999999 0.500000 Sb\n0.000001 0.499997 0.500002 Sb\n0.000000 0.999999 0.999999 Sb\n0.619138 0.380862 0.119144 O\n0.380860 0.619137 0.880858 O\n0.083415 0.322213 0.177788 O\n0.677786 0.916583 0.177786 O\n0.677788 0.322212 0.583416 O\n0.916584 0.677784 0.822212 O\n0.322214 0.083413 0.822215 O\n0.322214 0.677786 0.416585 O\n0.641326 0.903004 0.596991 O\n0.096993 0.358669 0.596991 O\n0.096991 0.903003 0.141327 O\n0.358671 0.096991 0.403010 O\n0.903008 0.641326 0.403010 O\n0.903006 0.096990 0.858671 O\n",
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"elements": [
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],
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"volume": 282.1836388430712,
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"formula_full": "Y3 Mn2 Sb3 O14",
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},
{
"id": "mp-570188",
"created_at": "2022-09-04T14:42:44.846776Z",
"structure_string": "Zr4 I12\n1.0\n6.660409 0.000000 0.000000\n0.000000 8.125324 0.000000\n0.000000 0.000000 14.087711\nZr I\n4 12\ndirect\n0.236745 0.752295 0.500000 Zr\n0.763255 0.752295 0.500000 Zr\n0.263255 0.247705 0.000000 Zr\n0.736745 0.247705 0.000000 Zr\n0.000000 0.602216 0.649712 I\n0.000000 0.052254 0.500000 I\n0.000000 0.101705 0.853560 I\n0.000000 0.101705 0.146440 I\n0.500000 0.898295 0.353560 I\n0.500000 0.397784 0.149712 I\n0.500000 0.458906 0.500000 I\n0.500000 0.898295 0.646440 I\n0.500000 0.397784 0.850288 I\n0.500000 0.947746 0.000000 I\n0.000000 0.541094 0.000000 I\n0.000000 0.602216 0.350288 I\n",
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],
"chemical_system": "I-Zr",
"density": 4.111605829836228,
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"volume": 762.3984776052682,
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"formula_full": "Zr4 I12",
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}
]
}