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{
"id": "mp-1194749",
"created_at": "2022-09-04T14:43:57.880093Z",
"structure_string": "Cs8 Zn4 Ge12 Se32\n1.0\n7.800768 0.000000 0.000000\n0.000000 13.775947 0.000000\n0.000000 0.000000 18.029401\nCs Zn Ge Se\n8 4 12 32\ndirect\n0.751955 0.626660 0.053156 Cs\n0.748045 0.373340 0.553156 Cs\n0.251955 0.873340 0.946844 Cs\n0.248045 0.126660 0.446844 Cs\n0.254330 0.809361 0.347114 Cs\n0.245670 0.190639 0.847114 Cs\n0.754330 0.690639 0.652886 Cs\n0.745670 0.309361 0.152886 Cs\n0.992687 0.497458 0.348228 Zn\n0.507313 0.502542 0.848228 Zn\n0.492687 0.002542 0.651772 Zn\n0.007313 0.997458 0.151772 Zn\n0.764704 0.044802 0.321549 Ge\n0.735296 0.955198 0.821549 Ge\n0.264704 0.455198 0.678451 Ge\n0.235296 0.544802 0.178451 Ge\n0.736808 0.945529 0.482891 Ge\n0.763192 0.054471 0.982891 Ge\n0.236808 0.554471 0.517109 Ge\n0.263192 0.445529 0.017109 Ge\n0.515641 0.980629 0.152547 Ge\n0.984359 0.019371 0.652547 Ge\n0.015641 0.519371 0.847453 Ge\n0.484359 0.480629 0.347453 Ge\n0.990681 0.603802 0.236368 Se\n0.509319 0.396198 0.736368 Se\n0.490681 0.896198 0.763632 Se\n0.009319 0.103802 0.263632 Se\n0.987126 0.606837 0.459100 Se\n0.512874 0.393163 0.959100 Se\n0.487126 0.893163 0.540900 Se\n0.012874 0.106837 0.040900 Se\n0.761012 0.882059 0.154505 Se\n0.738988 0.117941 0.654505 Se\n0.261012 0.617941 0.845495 Se\n0.238988 0.382059 0.345495 Se\n0.764472 0.614333 0.849867 Se\n0.735528 0.385667 0.349867 Se\n0.264472 0.885667 0.150133 Se\n0.235528 0.114333 0.650133 Se\n0.764257 0.876267 0.360340 Se\n0.735743 0.123733 0.860340 Se\n0.264257 0.623733 0.639660 Se\n0.235743 0.376267 0.139660 Se\n0.740113 0.114377 0.444742 Se\n0.759887 0.885623 0.944742 Se\n0.240113 0.385623 0.555258 Se\n0.259887 0.614377 0.055258 Se\n0.496680 0.588057 0.240029 Se\n0.003320 0.411943 0.740029 Se\n0.996680 0.911943 0.759971 Se\n0.503320 0.088057 0.259971 Se\n0.494858 0.594559 0.451426 Se\n0.005142 0.405441 0.951426 Se\n0.994858 0.905441 0.548574 Se\n0.505142 0.094559 0.048574 Se\n",
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],
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"formula_full": "Cs8 Zn4 Ge12 Se32",
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"updated_at": "2021-11-28T01:36:07.938000Z",
"spacegroup": 19
},
{
"id": "mp-8881",
"created_at": "2022-09-04T14:43:39.906177Z",
"structure_string": "Al2 As2\n1.0\n2.022765 -3.503531 0.000000\n2.022765 3.503531 0.000000\n0.000000 0.000000 6.649241\nAl As\n2 2\ndirect\n0.333333 0.666667 0.000760 Al\n0.666667 0.333333 0.500760 Al\n0.333333 0.666667 0.375240 As\n0.666667 0.333333 0.875240 As\n",
"nsites": 4,
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"volume": 94.2439466541768,
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"formula_full": "Al2 As2",
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"updated_at": "2021-11-28T01:36:21.069000Z",
"spacegroup": 186
},
{
"id": "mp-23353",
"created_at": "2022-09-04T14:43:58.198335Z",
"structure_string": "Cu2 Hg1 I4\n1.0\n-3.102915 3.102915 6.292509\n3.102915 -3.102915 6.292509\n3.102915 3.102915 -6.292509\nCu Hg I\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Hg\n0.633176 0.633176 0.534605 I\n0.901429 0.366824 0.000000 I\n0.098571 0.098571 0.465395 I\n0.366824 0.901429 0.000000 I\n",
"nsites": 7,
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],
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"density": 5.723582169337429,
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"volume": 242.3391578960871,
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"formula_full": "Cu2 Hg1 I4",
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"formula_anonymous": "AB2C4",
"energy": -17.717442669999997,
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"spacegroup": 121
},
{
"id": "mp-1519332",
"created_at": "2022-09-04T14:43:58.356775Z",
"structure_string": "Eu1 Mn1 Sn1 W1 O6\n1.0\n0.000000 -4.076412 -4.076412\n4.076412 -0.000000 -4.076412\n4.076412 -4.076412 0.000000\nEu Mn Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.738800 0.261200 0.261200 O\n0.261200 0.738800 0.738800 O\n0.738800 0.261200 0.738800 O\n0.261200 0.738800 0.261200 O\n0.738800 0.738800 0.261200 O\n0.261200 0.261200 0.738800 O\n",
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"density_atomic": 0.07381349855943022,
"volume": 135.47657535767118,
"volume_molar": 8.158590064866432,
"formula_full": "Eu1 Mn1 Sn1 W1 O6",
"formula_reduced": "EuMnSnWO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:36:25.698000Z",
"spacegroup": 216
},
{
"id": "mp-756452",
"created_at": "2022-09-04T14:43:58.780503Z",
"structure_string": "Sm4 Dy4 O12\n1.0\n5.801912 0.000000 0.000000\n0.000000 6.059173 0.000000\n0.000000 0.000000 8.477487\nSm Dy O\n4 4 12\ndirect\n0.986946 0.051456 0.250000 Sm\n0.486946 0.448544 0.750000 Sm\n0.513054 0.551456 0.250000 Sm\n0.013054 0.948544 0.750000 Sm\n0.500000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.640686 0.073596 0.750000 O\n0.180607 0.183879 0.572579 O\n0.180607 0.183879 0.927421 O\n0.680607 0.316121 0.427421 O\n0.680607 0.316121 0.072579 O\n0.140686 0.426404 0.250000 O\n0.859314 0.573596 0.750000 O\n0.319393 0.683879 0.927421 O\n0.319393 0.683879 0.572579 O\n0.819393 0.816121 0.072579 O\n0.819393 0.816121 0.427421 O\n0.359314 0.926404 0.250000 O\n",
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"elements": [
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"volume": 298.02426282522254,
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"formula_full": "Sm4 Dy4 O12",
"formula_reduced": "SmDyO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:06.939000Z",
"spacegroup": 62
},
{
"id": "mp-776880",
"created_at": "2022-09-04T14:43:58.792264Z",
"structure_string": "Li4 Fe4 Ni2 P6 O24\n1.0\n8.344821 -0.281221 -0.198496\n3.958929 7.455624 -0.191785\n3.958929 2.316428 7.089236\nLi Fe Ni P O\n4 4 2 6 24\ndirect\n0.750000 0.141920 0.358080 Li\n0.250000 0.847819 0.652181 Li\n0.649476 0.249462 0.849743 Li\n0.850524 0.650257 0.250538 Li\n0.146978 0.146400 0.141924 Fe\n0.353022 0.358076 0.353600 Fe\n0.651928 0.652428 0.654186 Fe\n0.848072 0.845814 0.847572 Fe\n0.005871 0.998315 0.995525 Ni\n0.494129 0.504475 0.501685 Ni\n0.061286 0.747701 0.440861 P\n0.438714 0.059139 0.752299 P\n0.750000 0.441924 0.058076 P\n0.250000 0.545986 0.954014 P\n0.552804 0.955575 0.252027 P\n0.947196 0.247973 0.544425 P\n0.112936 0.314405 0.487412 O\n0.325422 0.501592 0.108675 O\n0.063673 0.910682 0.252207 O\n0.531728 0.107303 0.320064 O\n0.032931 0.813058 0.597221 O\n0.255917 0.594245 0.423514 O\n0.244083 0.076486 0.905755 O\n0.436327 0.247793 0.589318 O\n0.174578 0.391325 0.998408 O\n0.600383 0.419092 0.257606 O\n0.100667 0.743086 0.936248 O\n0.387064 0.012588 0.185595 O\n0.595803 0.028363 0.819716 O\n0.899617 0.242394 0.080908 O\n0.399333 0.563752 0.756914 O\n0.816410 0.595810 0.031271 O\n0.562422 0.760000 0.401828 O\n0.748856 0.931400 0.099542 O\n0.751144 0.400458 0.568600 O\n0.968272 0.179936 0.392697 O\n0.467069 0.902779 0.686942 O\n0.937578 0.098172 0.740000 O\n0.683590 0.468729 0.904190 O\n0.904197 0.680284 0.471637 O\n",
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],
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"formula_full": "Li4 Fe4 Ni2 P6 O24",
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{
"id": "mp-849321",
"created_at": "2022-09-04T14:43:37.214299Z",
"structure_string": "Li8 Mn4 Si16 O40\n1.0\n10.023851 0.000000 0.000000\n0.000000 7.116276 0.000000\n0.000000 5.932281 13.750809\nLi Mn Si O\n8 4 16 40\ndirect\n0.839607 0.967810 0.413664 Li\n0.087776 0.546345 0.757876 Li\n0.587776 0.453655 0.742124 Li\n0.339607 0.032190 0.086336 Li\n0.660393 0.967810 0.913664 Li\n0.412224 0.546345 0.257876 Li\n0.912224 0.453655 0.242124 Li\n0.160393 0.032190 0.586336 Li\n0.861899 0.792395 0.655634 Mn\n0.361899 0.207605 0.844366 Mn\n0.638101 0.792395 0.155634 Mn\n0.138101 0.207605 0.344366 Mn\n0.727116 0.644430 0.865010 Si\n0.448885 0.679107 0.835404 Si\n0.025862 0.091229 0.168877 Si\n0.267802 0.785393 0.460336 Si\n0.767802 0.214607 0.039664 Si\n0.525862 0.908771 0.331123 Si\n0.772884 0.644430 0.365010 Si\n0.051115 0.679107 0.335404 Si\n0.948885 0.320893 0.664596 Si\n0.227116 0.355570 0.634990 Si\n0.474138 0.091229 0.668877 Si\n0.232198 0.785393 0.960336 Si\n0.732198 0.214607 0.539664 Si\n0.974138 0.908771 0.831123 Si\n0.551115 0.320893 0.164596 Si\n0.272884 0.355570 0.134990 Si\n0.546924 0.158507 0.279408 O\n0.691246 0.277220 0.121378 O\n0.187624 0.969138 0.475271 O\n0.985704 0.186928 0.247268 O\n0.418965 0.276136 0.106050 O\n0.717711 0.649573 0.756866 O\n0.176047 0.178610 0.121202 O\n0.420104 0.852906 0.420848 O\n0.776458 0.419636 0.939512 O\n0.920104 0.147094 0.079152 O\n0.676047 0.821390 0.378798 O\n0.966720 0.551166 0.654979 O\n0.466720 0.448834 0.845021 O\n0.276458 0.580364 0.560488 O\n0.918965 0.723864 0.393950 O\n0.485704 0.813072 0.252732 O\n0.687624 0.030862 0.024729 O\n0.191246 0.722780 0.378622 O\n0.046924 0.841493 0.220592 O\n0.217711 0.350427 0.743134 O\n0.782289 0.649573 0.256866 O\n0.953076 0.158507 0.779408 O\n0.808754 0.277220 0.621378 O\n0.312376 0.969138 0.975271 O\n0.514296 0.186928 0.747268 O\n0.081035 0.276136 0.606050 O\n0.723542 0.419636 0.439512 O\n0.533280 0.551166 0.154979 O\n0.033280 0.448834 0.345021 O\n0.323953 0.178610 0.621202 O\n0.079896 0.852906 0.920848 O\n0.223542 0.580364 0.060488 O\n0.579896 0.147094 0.579152 O\n0.823953 0.821390 0.878798 O\n0.282289 0.350427 0.243134 O\n0.581035 0.723864 0.893950 O\n0.014296 0.813072 0.752732 O\n0.812376 0.030862 0.524729 O\n0.308754 0.722780 0.878622 O\n0.453076 0.841493 0.720592 O\n",
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"formula_full": "Li8 Mn4 Si16 O40",
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{
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