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{
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{
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{
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"structure_string": "Si6 N8\n1.0\n-3.244147 3.244147 3.244147\n3.244147 -3.244147 3.244147\n3.244147 3.244147 -3.244147\nSi N\n6 8\ndirect\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.500000 0.000000 0.062750 N\n0.562750 0.500000 0.000000 N\n0.937250 0.937250 0.937250 N\n0.000000 0.562750 0.500000 N\n0.437250 0.437250 0.437250 N\n0.000000 0.062750 0.500000 N\n0.500000 0.000000 0.562750 N\n0.062750 0.500000 0.000000 N\n",
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{
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{
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"structure_string": "Mg2 In4\n1.0\n1.626776 6.370502 0.000000\n-1.626776 6.370502 0.000000\n0.000000 2.058156 7.379844\nMg In\n2 4\ndirect\n0.360287 0.360287 0.027481 Mg\n0.639713 0.639713 0.972519 Mg\n0.027215 0.027215 0.706803 In\n0.304917 0.304917 0.647095 In\n0.695083 0.695083 0.352905 In\n0.972785 0.972785 0.293197 In\n",
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{
"id": "mp-28005",
"created_at": "2022-09-04T14:48:24.132513Z",
"structure_string": "As8 S12 O48\n1.0\n5.472168 0.000000 0.000000\n0.000000 9.595219 0.000000\n0.000000 0.800281 19.836092\nAs S O\n8 12 48\ndirect\n0.729736 0.126536 0.129536 As\n0.229736 0.873464 0.370464 As\n0.270264 0.873464 0.870464 As\n0.770264 0.126536 0.629536 As\n0.692319 0.377677 0.371887 As\n0.192319 0.622323 0.128113 As\n0.307681 0.622323 0.628113 As\n0.807681 0.377677 0.871887 As\n0.854214 0.085818 0.347457 S\n0.354214 0.914182 0.152543 S\n0.145786 0.914182 0.652543 S\n0.645786 0.085818 0.847457 S\n0.910195 0.646106 0.315984 S\n0.410195 0.353894 0.184016 S\n0.089805 0.353894 0.684016 S\n0.589805 0.646106 0.815984 S\n0.569242 0.301196 0.514258 S\n0.069242 0.698804 0.985742 S\n0.430758 0.698804 0.485742 S\n0.930758 0.301196 0.014258 S\n0.915025 0.030084 0.283291 O\n0.415025 0.969916 0.216709 O\n0.084975 0.969916 0.716709 O\n0.584975 0.030084 0.783291 O\n0.607319 0.072544 0.373161 O\n0.107319 0.927456 0.126839 O\n0.392681 0.927456 0.626839 O\n0.892681 0.072544 0.873161 O\n0.037356 0.018924 0.401484 O\n0.537356 0.981076 0.098516 O\n0.962644 0.981076 0.598516 O\n0.462644 0.018924 0.901484 O\n0.928458 0.242690 0.348648 O\n0.428458 0.757310 0.151352 O\n0.071542 0.757310 0.651352 O\n0.571542 0.242690 0.848648 O\n0.110167 0.658461 0.268735 O\n0.662919 0.656747 0.292668 O\n0.337081 0.343253 0.707332 O\n0.837081 0.656747 0.792668 O\n0.727001 0.359298 0.964195 O\n0.227001 0.640702 0.535805 O\n0.272999 0.640702 0.035805 O\n0.772999 0.359298 0.464195 O\n0.811099 0.157657 0.038628 O\n0.311099 0.842343 0.461372 O\n0.188901 0.842343 0.961372 O\n0.688901 0.157657 0.538628 O\n0.149329 0.274434 0.977259 O\n0.649329 0.725566 0.522741 O\n0.850671 0.725566 0.022741 O\n0.350671 0.274434 0.477259 O\n0.936742 0.389361 0.071640 O\n0.436742 0.610639 0.428360 O\n0.063258 0.610639 0.928360 O\n0.563258 0.389361 0.571640 O\n0.553573 0.503481 0.858269 O\n0.053573 0.496519 0.641731 O\n0.446427 0.496519 0.141731 O\n0.946427 0.503481 0.358269 O\n0.549077 0.753579 0.872811 O\n0.049077 0.246421 0.627189 O\n0.450923 0.246421 0.127189 O\n0.950923 0.753579 0.372811 O\n0.389833 0.658461 0.768735 O\n0.889833 0.341539 0.731265 O\n0.610167 0.341539 0.231265 O\n0.162919 0.343253 0.207332 O\n",
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{
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"structure_string": "Li1 Nd2 H6 O6\n1.0\n9.513609 -0.676230 0.000000\n-5.074279 5.697032 0.000000\n0.000000 0.000000 3.854711\nLi Nd H O\n1 2 6 6\ndirect\n0.440331 0.492906 0.750000 Li\n0.245950 0.694097 0.250000 Nd\n0.731311 0.329797 0.750000 Nd\n0.953634 0.740159 0.250000 H\n0.679212 0.978988 0.250000 H\n0.225368 0.300371 0.250000 H\n0.021814 0.271368 0.750000 H\n0.278945 0.018133 0.750000 H\n0.796284 0.754491 0.750000 H\n0.940280 0.599435 0.250000 O\n0.617608 0.040532 0.250000 O\n0.340272 0.485929 0.250000 O\n0.039698 0.416067 0.750000 O\n0.355864 0.976110 0.750000 O\n0.677180 0.571619 0.750000 O\n",
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"elements": [
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"H",
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],
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"density": 3.372647159924898,
"density_atomic": 0.07664957730255241,
"volume": 195.69579543526726,
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"formula_full": "Li1 Nd2 H6 O6",
"formula_reduced": "LiNd2(HO)6",
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},
{
"id": "mp-983446",
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"structure_string": "Rb3 Pm1\n1.0\n0.000000 5.134774 5.134774\n5.134774 0.000000 5.134774\n5.134774 5.134774 0.000000\nRb Pm\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pm\n",
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],
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"formula_full": "Rb3 Pm1",
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"updated_at": "2021-11-28T01:39:30.795000Z",
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},
{
"id": "mp-805503",
"created_at": "2022-09-04T14:48:24.186830Z",
"structure_string": "Li3 Mn5 Cr3 O16\n1.0\n5.840652 0.000000 0.000000\n-2.917924 -5.139517 0.000000\n0.008709 3.337373 -9.634029\nLi Mn Cr O\n3 5 3 16\ndirect\n0.686742 0.237750 0.567968 Li\n0.187473 0.247704 0.060947 Li\n0.319193 0.761545 0.437023 Li\n0.500078 0.003197 0.998386 Mn\n0.750921 0.495988 0.752821 Mn\n0.249852 0.500907 0.249708 Mn\n0.252399 0.499137 0.752413 Mn\n0.751796 0.500789 0.248592 Mn\n0.249909 0.997082 0.753141 Cr\n0.000221 0.998701 0.501293 Cr\n0.753419 0.004200 0.248432 Cr\n0.609776 0.035128 0.871497 O\n0.168179 0.037902 0.871846 O\n0.616098 0.519837 0.354360 O\n0.113978 0.516089 0.856246 O\n0.344824 0.962171 0.635845 O\n0.396687 0.528560 0.131788 O\n0.885786 0.959256 0.636293 O\n0.896606 0.515122 0.638268 O\n0.105923 0.485241 0.363277 O\n0.602718 0.466539 0.868960 O\n0.116764 0.039563 0.365503 O\n0.891445 0.481344 0.148302 O\n0.655334 0.039073 0.364552 O\n0.387522 0.481743 0.646496 O\n0.840185 0.967304 0.129185 O\n0.390465 0.967717 0.130403 O\n",
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"nelements": 4,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.0623655250936,
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"volume": 289.1955373069163,
"volume_molar": 6.450282343800301,
"formula_full": "Li3 Mn5 Cr3 O16",
"formula_reduced": "Li3Mn5Cr3O16",
"formula_anonymous": "A3B3C5D16",
"energy": -125.68295784,
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"energy_above_hull": null,
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},
{
"id": "mp-1176895",
"created_at": "2022-09-04T14:48:24.188989Z",
"structure_string": "Li8 Mn7 Sn1 P12 O48\n1.0\n8.570248 0.000000 0.000000\n0.278467 8.858846 0.000000\n0.041280 0.013059 12.083549\nLi Mn Sn P O\n8 7 1 12 48\ndirect\n0.214545 0.275380 0.819061 Li\n0.216223 0.219591 0.181883 Li\n0.282121 0.782396 0.681938 Li\n0.282765 0.727145 0.315720 Li\n0.715703 0.276491 0.682616 Li\n0.720919 0.216849 0.316678 Li\n0.781834 0.780349 0.819974 Li\n0.785413 0.727696 0.175272 Li\n0.250174 0.035413 0.388401 Mn\n0.247605 0.462253 0.613589 Mn\n0.250997 0.964961 0.885591 Mn\n0.251200 0.537729 0.110526 Mn\n0.747476 0.461382 0.887370 Mn\n0.749256 0.035667 0.111921 Mn\n0.751570 0.964888 0.614507 Mn\n0.749172 0.539236 0.386025 Sn\n0.039301 0.747985 0.500797 P\n0.465312 0.254505 0.999696 P\n0.533136 0.744550 0.000453 P\n0.968022 0.250219 0.501346 P\n0.105429 0.604406 0.850607 P\n0.104931 0.894780 0.142015 P\n0.388837 0.394358 0.351788 P\n0.397155 0.106094 0.647716 P\n0.604582 0.900508 0.354098 P\n0.601646 0.605231 0.654685 P\n0.895652 0.396187 0.143993 P\n0.895007 0.105231 0.853947 P\n0.059962 0.358762 0.575070 O\n0.063793 0.141686 0.427482 O\n0.076068 0.105283 0.842363 O\n0.076999 0.399768 0.154683 O\n0.147793 0.830658 0.422249 O\n0.144382 0.657003 0.585885 O\n0.153756 0.559187 0.969768 O\n0.150683 0.931548 0.023627 O\n0.157108 0.760546 0.816688 O\n0.160329 0.730533 0.175497 O\n0.178282 0.479187 0.773163 O\n0.173752 0.010705 0.221331 O\n0.328151 0.989386 0.729338 O\n0.318834 0.519410 0.273452 O\n0.337234 0.237953 0.318718 O\n0.340722 0.269947 0.679273 O\n0.344634 0.440876 0.471139 O\n0.348868 0.062426 0.532113 O\n0.357220 0.172975 0.921100 O\n0.359210 0.344539 0.085421 O\n0.423558 0.900212 0.343100 O\n0.420563 0.602581 0.662996 O\n0.438773 0.852419 0.926079 O\n0.439285 0.638242 0.075587 O\n0.559177 0.359558 0.923978 O\n0.560421 0.145946 0.073693 O\n0.571904 0.394199 0.342400 O\n0.578655 0.105047 0.659066 O\n0.641794 0.653821 0.916840 O\n0.639575 0.827797 0.079307 O\n0.654764 0.935393 0.471322 O\n0.651236 0.556814 0.537467 O\n0.654637 0.762177 0.685366 O\n0.659281 0.737409 0.317828 O\n0.676996 0.480695 0.731745 O\n0.675144 0.015537 0.273413 O\n0.826606 0.987403 0.773981 O\n0.822430 0.523086 0.220176 O\n0.838027 0.268731 0.821784 O\n0.843663 0.241196 0.180537 O\n0.848589 0.436654 0.024643 O\n0.845965 0.063018 0.970554 O\n0.859643 0.335495 0.415870 O\n0.860741 0.170161 0.582254 O\n0.922982 0.895322 0.153762 O\n0.923600 0.602180 0.842659 O\n0.941053 0.855654 0.573803 O\n0.947173 0.639397 0.429225 O\n",
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],
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"volume": 917.4133361209023,
"volume_molar": 7.269463480554298,
"formula_full": "Li8 Mn7 Sn1 P12 O48",
"formula_reduced": "Li8Mn7Sn(PO4)12",
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"updated_at": "2021-11-28T01:39:29.568000Z",
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}
]
}