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{
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{
"id": "mp-12765",
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"structure_string": "Gd1 C2\n1.0\n-1.866769 1.866769 3.140601\n1.866769 -1.866769 3.140601\n1.866769 1.866769 -3.140601\nGd C\n1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.603586 0.603586 0.000000 C\n0.396414 0.396414 0.000000 C\n",
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{
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{
"id": "mp-1040468",
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"structure_string": "Si6 H2\n1.0\n11.263525 -1.938222 0.000000\n11.263525 1.938222 0.000000\n10.929997 0.000000 3.340490\nSi H\n6 2\ndirect\n0.583797 0.583797 0.583797 Si\n0.416203 0.416203 0.416203 Si\n0.654932 0.654932 0.654932 Si\n0.345068 0.345068 0.345068 Si\n0.227896 0.227896 0.227896 Si\n0.772104 0.772104 0.772104 Si\n0.183178 0.183178 0.183178 H\n0.816822 0.816822 0.816822 H\n",
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},
{
"id": "mp-770725",
"created_at": "2022-09-04T14:46:09.178850Z",
"structure_string": "Rb2 Li4 Mn4 B6 O18\n1.0\n5.216085 0.000000 0.000000\n0.000000 6.609343 0.000000\n0.000000 0.002340 12.573649\nRb Li Mn B O\n2 4 4 6 18\ndirect\n0.209964 0.000000 0.750000 Rb\n0.790036 0.000000 0.250000 Rb\n0.154537 0.497038 0.865410 Li\n0.154537 0.502962 0.634590 Li\n0.845463 0.497038 0.365410 Li\n0.845463 0.502962 0.134590 Li\n0.673238 0.232442 0.561202 Mn\n0.326762 0.232442 0.061202 Mn\n0.673238 0.767558 0.938798 Mn\n0.326762 0.767558 0.438798 Mn\n0.810700 0.193995 0.965870 B\n0.189300 0.193995 0.465870 B\n0.646989 0.500000 0.750000 B\n0.353011 0.500000 0.250000 B\n0.810700 0.806005 0.534130 B\n0.189300 0.806005 0.034130 B\n0.685334 0.054332 0.903956 O\n0.314666 0.054332 0.403956 O\n0.066301 0.241298 0.950180 O\n0.933699 0.241298 0.450180 O\n0.314466 0.291984 0.548832 O\n0.685534 0.291984 0.048832 O\n0.797493 0.415582 0.668180 O\n0.202507 0.415582 0.168180 O\n0.389364 0.500000 0.750000 O\n0.610636 0.500000 0.250000 O\n0.797493 0.584418 0.831820 O\n0.202507 0.584418 0.331820 O\n0.314466 0.708016 0.951168 O\n0.685534 0.708016 0.451168 O\n0.066301 0.758702 0.549820 O\n0.933699 0.758702 0.049820 O\n0.685334 0.945668 0.596044 O\n0.314666 0.945668 0.096044 O\n",
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"elements": [
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],
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"formula_full": "Rb2 Li4 Mn4 B6 O18",
"formula_reduced": "RbLi2Mn2(BO3)3",
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{
"id": "mp-26551",
"created_at": "2022-09-04T14:46:09.190239Z",
"structure_string": "Li8 Co10 P12 O44\n1.0\n6.553992 0.000000 0.000000\n0.000000 10.594139 0.000000\n0.000000 2.969682 12.298912\nLi Co P O\n8 10 12 44\ndirect\n0.368551 0.062788 0.813405 Li\n0.465369 0.120134 0.338077 Li\n0.534631 0.879866 0.661923 Li\n0.868551 0.437212 0.186595 Li\n0.034631 0.620134 0.338077 Li\n0.131449 0.562788 0.813405 Li\n0.631449 0.937212 0.186595 Li\n0.965369 0.379866 0.661923 Li\n0.488736 0.694751 0.341436 Co\n0.258025 0.717566 0.133522 Co\n0.241975 0.217566 0.133522 Co\n0.988736 0.805249 0.658564 Co\n0.511264 0.305249 0.658564 Co\n0.500000 0.500000 0.000000 Co\n0.758025 0.782434 0.866478 Co\n0.741975 0.282434 0.866478 Co\n0.011264 0.194751 0.341436 Co\n0.000000 0.000000 0.000000 Co\n0.265377 0.778376 0.911916 P\n0.773432 0.919879 0.419862 P\n0.098316 0.929365 0.264334 P\n0.765377 0.721624 0.088084 P\n0.226568 0.080121 0.580138 P\n0.234623 0.278376 0.911916 P\n0.273432 0.580121 0.580138 P\n0.598316 0.570635 0.735666 P\n0.401684 0.429365 0.264334 P\n0.734623 0.221624 0.088084 P\n0.901684 0.070635 0.735666 P\n0.726568 0.419879 0.419862 P\n0.566164 0.449780 0.177811 O\n0.203372 0.057485 0.272099 O\n0.917048 0.245254 0.160553 O\n0.277184 0.368293 0.991582 O\n0.195605 0.146590 0.996899 O\n0.777184 0.131707 0.008418 O\n0.804395 0.853410 0.003101 O\n0.730545 0.569946 0.388738 O\n0.551170 0.165154 0.161441 O\n0.993433 0.872393 0.382027 O\n0.448830 0.834846 0.838559 O\n0.751708 0.676394 0.746890 O\n0.391086 0.129824 0.646807 O\n0.296628 0.557485 0.272099 O\n0.933836 0.949780 0.177811 O\n0.304395 0.646590 0.996899 O\n0.891086 0.370176 0.353193 O\n0.269455 0.430054 0.611262 O\n0.051170 0.334846 0.838559 O\n0.263735 0.639935 0.458727 O\n0.222816 0.868293 0.991582 O\n0.948830 0.665154 0.161441 O\n0.493433 0.627607 0.617973 O\n0.108914 0.629824 0.646807 O\n0.506567 0.372393 0.382027 O\n0.722816 0.631707 0.008418 O\n0.236265 0.139935 0.458727 O\n0.608914 0.870176 0.353193 O\n0.703372 0.442515 0.727901 O\n0.251708 0.823606 0.253110 O\n0.748292 0.176394 0.746890 O\n0.230545 0.930054 0.611262 O\n0.006567 0.127607 0.617973 O\n0.736265 0.360065 0.541273 O\n0.248292 0.323606 0.253110 O\n0.417048 0.254746 0.839447 O\n0.066164 0.050220 0.822189 O\n0.082952 0.754746 0.839447 O\n0.763735 0.860065 0.541273 O\n0.433836 0.550220 0.822189 O\n0.796628 0.942515 0.727901 O\n0.582952 0.745254 0.160553 O\n0.769455 0.069946 0.388738 O\n0.695605 0.353410 0.003101 O\n",
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"volume": 853.9614536248713,
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"formula_full": "Li8 Co10 P12 O44",
"formula_reduced": "Li4Co5(P3O11)2",
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"spacegroup": 14
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{
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"structure_string": "Li10 Al2 O8\n1.0\n4.669552 0.000000 0.000000\n0.000000 6.366179 0.000000\n0.000000 0.000000 6.483062\nLi Al O\n10 2 8\ndirect\n0.745348 0.238810 0.197547 Li\n0.745348 0.761190 0.802453 Li\n0.254652 0.738810 0.302453 Li\n0.254652 0.261190 0.697547 Li\n0.254652 0.261190 0.302453 Li\n0.254652 0.738810 0.697547 Li\n0.745348 0.761190 0.197547 Li\n0.745348 0.238810 0.802453 Li\n0.796032 0.000000 0.500000 Li\n0.203968 0.500000 0.000000 Li\n0.224488 0.000000 0.000000 Al\n0.775512 0.500000 0.500000 Al\n0.016580 0.000000 0.231873 O\n0.016580 0.000000 0.768127 O\n0.570818 0.735810 0.500000 O\n0.570818 0.264190 0.500000 O\n0.429182 0.235810 0.000000 O\n0.429182 0.764190 0.000000 O\n0.983420 0.500000 0.731873 O\n0.983420 0.500000 0.268127 O\n",
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{
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"structure_string": "Rb2 Ti4 P6 O24\n1.0\n8.299961 -4.219517 0.000000\n8.299961 4.219517 0.000000\n6.154851 0.000000 6.986521\nRb Ti P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.150843 0.150843 0.150843 Ti\n0.349157 0.349157 0.349157 Ti\n0.849157 0.849157 0.849157 Ti\n0.650843 0.650843 0.650843 Ti\n0.250000 0.970153 0.529847 P\n0.529847 0.250000 0.970153 P\n0.970153 0.529847 0.250000 P\n0.750000 0.029847 0.470153 P\n0.470153 0.750000 0.029847 P\n0.029847 0.470153 0.750000 P\n0.988174 0.347716 0.261440 O\n0.261440 0.988174 0.347716 O\n0.347716 0.261440 0.988174 O\n0.511826 0.238560 0.152284 O\n0.152284 0.511826 0.238560 O\n0.238560 0.152284 0.511826 O\n0.011826 0.652284 0.738560 O\n0.738560 0.011826 0.652284 O\n0.652284 0.738560 0.011826 O\n0.488174 0.761440 0.847716 O\n0.847716 0.488174 0.761440 O\n0.761440 0.847716 0.488174 O\n0.931685 0.070356 0.302292 O\n0.070356 0.302292 0.931685 O\n0.302292 0.931685 0.070356 O\n0.429644 0.568315 0.197708 O\n0.568315 0.197708 0.429644 O\n0.197708 0.429644 0.568315 O\n0.068315 0.929644 0.697708 O\n0.929644 0.697708 0.068315 O\n0.697708 0.068315 0.929644 O\n0.570356 0.431685 0.802292 O\n0.431685 0.802292 0.570356 O\n0.802292 0.570356 0.431685 O\n",
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{
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{
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{
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{
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"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 5.480083491421764,
"density_atomic": 0.08735258858528923,
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"volume_molar": 6.8940610204357125,
"formula_full": "Y1 Cr1 O3",
"formula_reduced": "YCrO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:37:23.541000Z",
"spacegroup": 221
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{
"id": "mp-1187463",
"created_at": "2022-09-04T14:46:09.357009Z",
"structure_string": "Ti1 Be2 Pt1\n1.0\n0.000000 2.863605 2.863605\n2.863605 0.000000 2.863605\n2.863605 2.863605 0.000000\nTi Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.500000 0.500000 0.500000 Pt\n",
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"chemical_system": "Be-Pt-Ti",
"density": 9.227398519945893,
"density_atomic": 0.08517078685623858,
"volume": 46.96445985349035,
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"formula_full": "Ti1 Be2 Pt1",
"formula_reduced": "TiBe2Pt",
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"updated_at": "2021-11-28T01:37:23.035000Z",
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}
]
}