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{
"id": "mp-1225984",
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"structure_string": "Cs1 Mn2 P6 O18\n1.0\n0.036826 0.000000 -6.393071\n-4.903079 -6.834011 2.103962\n-4.903079 6.834011 2.103962\nCs Mn P O\n1 2 6 18\ndirect\n0.534625 0.945217 0.945217 Cs\n0.002401 0.775352 0.225587 Mn\n0.002401 0.225587 0.775352 Mn\n0.099176 0.406427 0.185394 P\n0.099176 0.185394 0.406427 P\n0.899948 0.593399 0.814051 P\n0.899948 0.814051 0.593399 P\n0.499577 0.713969 0.285158 P\n0.499577 0.285158 0.713969 P\n0.101546 0.349204 0.349204 O\n0.898206 0.649840 0.649840 O\n0.365928 0.517923 0.237214 O\n0.365928 0.237214 0.517923 O\n0.633453 0.481561 0.762333 O\n0.633453 0.762333 0.481561 O\n0.952050 0.517127 0.179002 O\n0.952050 0.179002 0.517127 O\n0.050549 0.485566 0.821798 O\n0.050549 0.821798 0.485566 O\n0.046788 0.256425 0.035622 O\n0.046788 0.035622 0.256425 O\n0.948077 0.743728 0.962223 O\n0.948077 0.962223 0.743728 O\n0.661735 0.734874 0.185654 O\n0.661735 0.185654 0.734874 O\n0.339279 0.264495 0.814658 O\n0.339279 0.814658 0.264495 O\n",
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{
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"structure_string": "Sr5 U5 O19\n1.0\n6.893204 0.000000 0.000000\n-2.309801 7.417636 0.000000\n-1.145038 -1.955098 8.450884\nSr U O\n5 5 19\ndirect\n0.803119 0.103476 0.603943 Sr\n0.386706 0.294528 0.798773 Sr\n0.604733 0.701301 0.204068 Sr\n0.999011 0.498864 0.997285 Sr\n0.204652 0.905026 0.392308 Sr\n0.782168 0.599697 0.600629 U\n0.596836 0.198728 0.193825 U\n0.998482 0.006216 0.002843 U\n0.413044 0.807683 0.812809 U\n0.202598 0.387363 0.390868 U\n0.331185 0.036142 0.964427 O\n0.438654 0.983520 0.667518 O\n0.035178 0.197965 0.873747 O\n0.729838 0.406655 0.728254 O\n0.157102 0.196443 0.522564 O\n0.366296 0.612596 0.939449 O\n0.939936 0.250039 0.178153 O\n0.925512 0.422935 0.466849 O\n0.747609 0.837603 0.776616 O\n0.546651 0.435803 0.375267 O\n0.396914 0.574484 0.616886 O\n0.255447 0.147631 0.225855 O\n0.075979 0.722890 0.768809 O\n0.634941 0.389143 0.068296 O\n0.852546 0.793127 0.472041 O\n0.244843 0.596264 0.277288 O\n0.960598 0.801303 0.117861 O\n0.572774 0.020012 0.334618 O\n0.660565 0.960204 0.036390 O\n",
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"elements": [
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"formula_full": "Sr5 U5 O19",
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"spacegroup": 1
},
{
"id": "mp-1185028",
"created_at": "2022-09-04T14:44:28.231666Z",
"structure_string": "Li2 Ca1 Al1\n1.0\n0.000000 3.486686 3.486686\n3.486686 0.000000 3.486686\n3.486686 3.486686 0.000000\nLi Ca Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Al\n",
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"formula_full": "Li2 Ca1 Al1",
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{
"id": "mp-1579322",
"created_at": "2022-09-04T14:44:28.235516Z",
"structure_string": "Cr2 Sb2 P4 O16\n1.0\n10.878012 0.000751 -0.523293\n0.000411 5.892763 -0.000047\n-0.243120 -0.000053 4.943920\nCr Sb P O\n2 2 4 16\ndirect\n0.201763 0.749589 0.427760 Cr\n0.798228 0.250249 0.572168 Cr\n0.266258 0.249931 0.955106 Sb\n0.733781 0.750165 0.044873 Sb\n0.072390 0.249877 0.381402 P\n0.377691 0.750013 0.880466 P\n0.622310 0.250045 0.119555 P\n0.927580 0.750093 0.618607 P\n0.067975 0.750028 0.672099 O\n0.108763 0.250044 0.691589 O\n0.131563 0.040389 0.244695 O\n0.131471 0.459442 0.244569 O\n0.311487 0.952793 0.701041 O\n0.311540 0.547111 0.701055 O\n0.331387 0.749868 0.163041 O\n0.485116 0.250032 0.122187 O\n0.514893 0.750014 0.877902 O\n0.668606 0.249950 0.836987 O\n0.688508 0.047218 0.298999 O\n0.688505 0.452847 0.298963 O\n0.868500 0.540544 0.755389 O\n0.868452 0.959672 0.755312 O\n0.891233 0.750042 0.308390 O\n0.931998 0.250042 0.327845 O\n",
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"formula_full": "Cr2 Sb2 P4 O16",
"formula_reduced": "CrSb(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -186.11053186,
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"spacegroup": 11
},
{
"id": "mp-1400342",
"created_at": "2022-09-04T14:44:28.240466Z",
"structure_string": "Zn2 Co3 O8\n1.0\n2.832718 5.073123 0.000000\n-2.832718 5.073123 0.000000\n0.000000 1.639516 4.535412\nZn Co O\n2 3 8\ndirect\n0.718392 0.718392 0.343057 Zn\n0.281608 0.281608 0.656943 Zn\n0.000000 0.000000 0.500000 Co\n0.743687 0.256313 0.000000 Co\n0.256313 0.743687 0.000000 Co\n0.396462 0.396462 0.932004 O\n0.603538 0.603538 0.067996 O\n0.896174 0.896174 0.914743 O\n0.103826 0.103826 0.085257 O\n0.336297 0.886245 0.600044 O\n0.886245 0.336297 0.600044 O\n0.113755 0.663703 0.399956 O\n0.663703 0.113755 0.399956 O\n",
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"chemical_system": "Co-O-Zn",
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"volume": 130.35433390242275,
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"formula_full": "Zn2 Co3 O8",
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"energy": -80.13135024,
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{
"id": "mp-1208985",
"created_at": "2022-09-04T14:44:28.241668Z",
"structure_string": "Sm4 Se8 O32\n1.0\n6.597124 0.000000 0.000000\n0.000000 7.156704 0.000000\n0.000000 0.000000 16.156061\nSm Se O\n4 8 32\ndirect\n0.118023 0.404372 0.223602 Sm\n0.381977 0.595628 0.723602 Sm\n0.881977 0.904372 0.276398 Sm\n0.618023 0.095628 0.776398 Sm\n0.143887 0.115684 0.716746 Se\n0.356113 0.884316 0.216746 Se\n0.856113 0.615684 0.783254 Se\n0.643887 0.384316 0.283254 Se\n0.135059 0.222250 0.442491 Se\n0.364941 0.777750 0.942491 Se\n0.864941 0.722250 0.057509 Se\n0.635059 0.277750 0.557509 Se\n0.192346 0.073617 0.229700 O\n0.307654 0.926383 0.729700 O\n0.807654 0.573617 0.270300 O\n0.692346 0.426383 0.770300 O\n0.469920 0.408885 0.206620 O\n0.030080 0.591115 0.706620 O\n0.530080 0.908885 0.293380 O\n0.969920 0.091115 0.793380 O\n0.996528 0.293203 0.525290 O\n0.503472 0.706797 0.025290 O\n0.003472 0.793203 0.974710 O\n0.496528 0.206797 0.474710 O\n0.185057 0.722212 0.259293 O\n0.314943 0.277788 0.759293 O\n0.814943 0.222212 0.240707 O\n0.685057 0.777788 0.740707 O\n0.998036 0.545170 0.100712 O\n0.501964 0.454830 0.600712 O\n0.001964 0.045170 0.399288 O\n0.498036 0.954830 0.899288 O\n0.123469 0.178581 0.039195 O\n0.376531 0.821419 0.539195 O\n0.876531 0.678581 0.460805 O\n0.623469 0.321419 0.960805 O\n0.158112 0.392083 0.370578 O\n0.341888 0.607917 0.870578 O\n0.841888 0.892083 0.129422 O\n0.658112 0.107917 0.629422 O\n0.610633 0.235124 0.026478 O\n0.889367 0.764876 0.526478 O\n0.389367 0.735124 0.473522 O\n0.110633 0.264876 0.973522 O\n",
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"formula_full": "Sm4 Se8 O32",
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{
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"structure_string": "Mg6 Al1 Co1 O8\n1.0\n8.554400 0.000000 0.000000\n0.000000 4.236773 0.000000\n0.000000 0.000000 4.236773\nMg Al Co O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259344 0.000000 0.500000 Mg\n0.740656 0.000000 0.500000 Mg\n0.259344 0.500000 0.000000 Mg\n0.740656 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Co\n0.212911 0.000000 0.000000 O\n0.787089 0.000000 0.000000 O\n0.248285 0.500000 0.500000 O\n0.751715 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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{
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:45.805000Z",
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},
{
"id": "mp-1244909",
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"chemical_system": "Al-O",
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"formula_full": "Al40 O60",
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}
]
}