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{
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"results": [
{
"id": "mp-1100624",
"created_at": "2022-09-04T14:47:46.288451Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.430968 7.662504 0.000000\n-1.430968 7.662504 0.000000\n0.000000 0.758538 13.241780\nLi Mn Co O\n9 2 5 16\ndirect\n0.432835 0.432835 0.204241 Li\n0.309991 0.309991 0.550920 Li\n0.188203 0.188203 0.934098 Li\n0.066317 0.066317 0.316880 Li\n0.934789 0.934789 0.671691 Li\n0.809622 0.809622 0.076770 Li\n0.690111 0.690111 0.438731 Li\n0.565113 0.565113 0.805520 Li\n0.875028 0.875028 0.375909 Li\n0.001589 0.001589 0.004893 Mn\n0.371991 0.371991 0.873197 Mn\n0.748265 0.748265 0.740042 Co\n0.631896 0.631896 0.126619 Co\n0.494151 0.494151 0.482412 Co\n0.256630 0.256630 0.270400 Co\n0.118395 0.118395 0.624604 Co\n0.420293 0.420293 0.038263 O\n0.278638 0.278638 0.402432 O\n0.159627 0.159627 0.776289 O\n0.044679 0.044679 0.141581 O\n0.916058 0.916058 0.523961 O\n0.788170 0.788170 0.901206 O\n0.664693 0.664693 0.274363 O\n0.532990 0.532990 0.657160 O\n0.475317 0.475317 0.349184 O\n0.339419 0.339419 0.716906 O\n0.211039 0.211039 0.092904 O\n0.082831 0.082831 0.477722 O\n0.961289 0.961289 0.864107 O\n0.836533 0.836533 0.222476 O\n0.710925 0.710925 0.595808 O\n0.582572 0.582572 0.968713 O\n",
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"elements": [
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"formula_full": "Li9 Mn2 Co5 O16",
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"updated_at": "2021-11-28T01:38:17.914000Z",
"spacegroup": 8
},
{
"id": "mp-753915",
"created_at": "2022-09-04T14:47:46.312475Z",
"structure_string": "Cr8 O2 F12\n1.0\n7.221259 0.000000 0.000000\n0.000000 7.221259 0.000000\n0.000000 0.000000 5.320490\nCr O F\n8 2 12\ndirect\n0.000000 0.247963 0.313145 Cr\n0.747963 0.500000 0.813145 Cr\n0.252037 0.500000 0.813145 Cr\n0.000000 0.752037 0.313145 Cr\n0.500000 0.747963 0.186855 Cr\n0.247963 0.000000 0.686855 Cr\n0.752037 0.000000 0.686855 Cr\n0.500000 0.252037 0.186855 Cr\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.716064 0.283936 0.500000 F\n0.283936 0.283936 0.500000 F\n0.000000 0.500000 0.651642 F\n0.000000 0.500000 0.151642 F\n0.283936 0.716064 0.500000 F\n0.716064 0.716064 0.500000 F\n0.783936 0.783936 0.000000 F\n0.216064 0.783936 0.000000 F\n0.500000 0.000000 0.848358 F\n0.500000 0.000000 0.348358 F\n0.783936 0.216064 0.000000 F\n0.216064 0.216064 0.000000 F\n",
"nsites": 22,
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"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.045620968877587,
"density_atomic": 0.07929489090175143,
"volume": 277.445365644788,
"volume_molar": 7.59461384146628,
"formula_full": "Cr8 O2 F12",
"formula_reduced": "Cr4OF6",
"formula_anonymous": "AB4C6",
"energy": -129.9456345,
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"updated_at": "2021-11-28T01:38:19.503000Z",
"spacegroup": 137
},
{
"id": "mp-1224827",
"created_at": "2022-09-04T14:47:46.315616Z",
"structure_string": "Fe3 Ni1\n1.0\n8.322986 -1.251690 0.000000\n8.322986 1.251690 0.000000\n8.134745 0.000000 2.159802\nFe Ni\n3 1\ndirect\n0.250132 0.250132 0.250132 Fe\n0.500000 0.500000 0.500000 Fe\n0.749868 0.749868 0.749868 Fe\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Fe-Ni",
"density": 8.347882740746217,
"density_atomic": 0.08888738094796457,
"volume": 45.000763408043646,
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"formula_full": "Fe3 Ni1",
"formula_reduced": "Fe3Ni",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:38:19.670000Z",
"spacegroup": 166
},
{
"id": "mp-625630",
"created_at": "2022-09-04T14:47:46.374001Z",
"structure_string": "Te8 H8 O24\n1.0\n4.834960 0.000000 0.000000\n0.000000 8.327892 0.000000\n0.000000 0.000000 11.984585\nTe H O\n8 8 24\ndirect\n0.000673 0.464086 0.611971 Te\n0.500673 0.535914 0.388029 Te\n0.500673 0.964086 0.888029 Te\n0.000673 0.035914 0.111971 Te\n0.855365 0.357831 0.938632 Te\n0.355365 0.642169 0.061368 Te\n0.355365 0.857831 0.561368 Te\n0.855365 0.142169 0.438632 Te\n0.594050 0.561557 0.729724 H\n0.094050 0.438443 0.270276 H\n0.094050 0.061557 0.770276 H\n0.594050 0.938443 0.229724 H\n0.393972 0.317386 0.708127 H\n0.893972 0.682614 0.291873 H\n0.893972 0.817386 0.791873 H\n0.393972 0.182614 0.208127 H\n0.741463 0.481893 0.738851 O\n0.241463 0.518107 0.261149 O\n0.241463 0.981893 0.761149 O\n0.741463 0.018107 0.238851 O\n0.499417 0.449812 0.957317 O\n0.999417 0.550188 0.042683 O\n0.999417 0.949812 0.542683 O\n0.499417 0.050188 0.457317 O\n0.699409 0.346496 0.348422 O\n0.199409 0.653504 0.651578 O\n0.199409 0.846496 0.151578 O\n0.699409 0.153504 0.848422 O\n0.240755 0.406660 0.482720 O\n0.740755 0.593340 0.517280 O\n0.740755 0.906660 0.017280 O\n0.240755 0.093340 0.982720 O\n0.795464 0.267745 0.575497 O\n0.295464 0.732255 0.424503 O\n0.295464 0.767745 0.924503 O\n0.795464 0.232255 0.075497 O\n0.195705 0.333693 0.722335 O\n0.695705 0.666307 0.277665 O\n0.695705 0.833693 0.777665 O\n0.195705 0.166307 0.222335 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.861764443242206,
"density_atomic": 0.08289131348798384,
"volume": 482.5596110960229,
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"formula_full": "Te8 H8 O24",
"formula_reduced": "TeHO3",
"formula_anonymous": "ABC3",
"energy": -225.3740884,
"energy_per_atom": -5.63435221,
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"updated_at": "2021-11-28T01:38:22.064000Z",
"spacegroup": 33
},
{
"id": "mp-1196774",
"created_at": "2022-09-04T14:47:46.384998Z",
"structure_string": "Th8 V16 Te8 O96\n1.0\n11.716637 0.000000 0.000000\n0.000000 12.729396 0.000000\n0.000000 0.000000 13.272359\nTh V Te O\n8 16 8 96\ndirect\n0.940860 0.342937 0.327812 Th\n0.559140 0.842937 0.672188 Th\n0.440860 0.657063 0.172188 Th\n0.059140 0.157063 0.827812 Th\n0.059140 0.657063 0.672188 Th\n0.440860 0.157063 0.327812 Th\n0.559140 0.342937 0.827812 Th\n0.940860 0.842937 0.172188 Th\n0.576946 0.419961 0.295551 V\n0.923054 0.919961 0.704449 V\n0.076946 0.580039 0.204449 V\n0.423054 0.080039 0.795551 V\n0.423054 0.580039 0.704449 V\n0.076946 0.080039 0.295551 V\n0.923054 0.419961 0.795551 V\n0.576946 0.919961 0.204449 V\n0.183966 0.435397 0.501726 V\n0.316034 0.935397 0.498274 V\n0.683966 0.564603 0.998274 V\n0.816034 0.064603 0.001726 V\n0.816034 0.564603 0.498274 V\n0.683966 0.064603 0.501726 V\n0.316034 0.435397 0.001726 V\n0.183966 0.935397 0.998274 V\n0.773916 0.574529 0.242190 Te\n0.726084 0.074529 0.757810 Te\n0.273916 0.425471 0.257810 Te\n0.226084 0.925471 0.742190 Te\n0.226084 0.425471 0.757810 Te\n0.273916 0.925471 0.242190 Te\n0.726084 0.574529 0.742190 Te\n0.773916 0.074529 0.257810 Te\n0.557217 0.420138 0.418125 O\n0.942783 0.920138 0.581875 O\n0.057217 0.579862 0.081875 O\n0.442783 0.079862 0.918125 O\n0.442783 0.579862 0.581875 O\n0.057217 0.079862 0.418125 O\n0.942783 0.420138 0.918125 O\n0.557217 0.920138 0.081875 O\n0.554398 0.293117 0.259039 O\n0.945602 0.793117 0.740961 O\n0.054398 0.706883 0.240961 O\n0.445602 0.206883 0.759039 O\n0.445602 0.706883 0.740961 O\n0.054398 0.206883 0.259039 O\n0.945602 0.293117 0.759039 O\n0.554398 0.793117 0.240961 O\n0.431206 0.472904 0.241564 O\n0.068794 0.972904 0.758436 O\n0.931206 0.527096 0.258436 O\n0.568794 0.027096 0.741564 O\n0.568794 0.527096 0.758436 O\n0.931206 0.027096 0.241564 O\n0.068794 0.472904 0.741564 O\n0.431206 0.972904 0.258436 O\n0.608225 0.569256 0.238598 O\n0.891775 0.069256 0.761402 O\n0.108225 0.430744 0.261402 O\n0.391775 0.930744 0.738598 O\n0.391775 0.430744 0.761402 O\n0.108225 0.930744 0.238598 O\n0.891775 0.569256 0.738598 O\n0.608225 0.069256 0.261402 O\n0.743481 0.427671 0.279677 O\n0.756519 0.927671 0.720323 O\n0.243481 0.572329 0.220323 O\n0.256519 0.072329 0.779677 O\n0.256519 0.572329 0.720323 O\n0.243481 0.072329 0.279677 O\n0.756519 0.427671 0.779677 O\n0.743481 0.927671 0.220323 O\n0.085320 0.349191 0.454749 O\n0.414680 0.849191 0.545251 O\n0.585320 0.650809 0.045251 O\n0.914680 0.150809 0.954749 O\n0.914680 0.650809 0.545251 O\n0.585320 0.150809 0.454749 O\n0.414680 0.349191 0.954749 O\n0.085320 0.849191 0.045251 O\n0.123461 0.551164 0.533245 O\n0.376539 0.051164 0.466755 O\n0.623461 0.448836 0.966755 O\n0.876539 0.948836 0.033245 O\n0.876539 0.448836 0.466755 O\n0.623461 0.948836 0.533245 O\n0.376539 0.551164 0.033245 O\n0.123461 0.051164 0.966755 O\n0.241021 0.382787 0.614917 O\n0.258979 0.882787 0.385083 O\n0.741021 0.617213 0.885083 O\n0.758979 0.117213 0.114917 O\n0.758979 0.617213 0.385083 O\n0.741021 0.117213 0.614917 O\n0.258979 0.382787 0.114917 O\n0.241021 0.882787 0.885083 O\n0.284121 0.459351 0.402212 O\n0.215879 0.959351 0.597788 O\n0.784121 0.540649 0.097788 O\n0.715879 0.040649 0.902212 O\n0.715879 0.540649 0.597788 O\n0.784121 0.040649 0.402212 O\n0.215879 0.459351 0.902212 O\n0.284121 0.959351 0.097788 O\n0.806692 0.715568 0.209763 O\n0.693308 0.215568 0.790237 O\n0.306692 0.284432 0.290237 O\n0.193308 0.784432 0.709763 O\n0.193308 0.284432 0.790237 O\n0.306692 0.784432 0.209763 O\n0.693308 0.715568 0.709763 O\n0.806692 0.215568 0.290237 O\n0.956937 0.220151 0.486191 O\n0.543063 0.720151 0.513809 O\n0.456937 0.779849 0.013809 O\n0.043063 0.279849 0.986191 O\n0.043063 0.779849 0.513809 O\n0.456937 0.279849 0.486191 O\n0.543063 0.220151 0.986191 O\n0.956937 0.720151 0.013809 O\n0.893253 0.313225 0.143541 O\n0.606747 0.813225 0.856459 O\n0.393253 0.686775 0.356459 O\n0.106747 0.186775 0.643541 O\n0.106747 0.686775 0.856459 O\n0.393253 0.186775 0.143541 O\n0.606747 0.313225 0.643541 O\n0.893253 0.813225 0.356459 O\n",
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"elements": [
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],
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"density": 4.385660352404891,
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"volume": 1979.5154351148024,
"volume_molar": 9.313219208479678,
"formula_full": "Th8 V16 Te8 O96",
"formula_reduced": "ThV2TeO12",
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"energy": -938.12229906,
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"updated_at": "2021-11-28T01:38:18.843000Z",
"spacegroup": 61
},
{
"id": "mp-771567",
"created_at": "2022-09-04T14:47:46.773346Z",
"structure_string": "Li1 Ti3 Mn1 Cr1 P6 O24\n1.0\n7.476015 -4.309570 0.000000\n7.476015 4.309570 0.000000\n4.991751 0.000000 7.038865\nLi Ti Mn Cr P O\n1 3 1 1 6 24\ndirect\n0.999760 0.999760 0.999760 Li\n0.140720 0.140720 0.140720 Ti\n0.355128 0.355128 0.355128 Ti\n0.858145 0.858145 0.858145 Ti\n0.500643 0.500643 0.500643 Mn\n0.643063 0.643063 0.643063 Cr\n0.750163 0.039561 0.460006 P\n0.957285 0.541533 0.249227 P\n0.541533 0.249227 0.957285 P\n0.460006 0.750163 0.039561 P\n0.039561 0.460006 0.750163 P\n0.249227 0.957285 0.541533 P\n0.915637 0.061768 0.268471 O\n0.806246 0.999870 0.624531 O\n0.732183 0.084465 0.943436 O\n0.882767 0.493557 0.693161 O\n0.584743 0.235429 0.443540 O\n0.765391 0.554902 0.414624 O\n0.943436 0.732183 0.084465 O\n0.192834 0.001757 0.376879 O\n0.498690 0.308006 0.121879 O\n0.376879 0.192834 0.001757 O\n0.308006 0.121879 0.498690 O\n0.554902 0.414624 0.765390 O\n0.443540 0.584743 0.235429 O\n0.693161 0.882767 0.493557 O\n0.624531 0.806246 0.999870 O\n0.493557 0.693161 0.882767 O\n0.061768 0.268471 0.915637 O\n0.235429 0.443540 0.584743 O\n0.414624 0.765390 0.554902 O\n0.121879 0.498690 0.308006 O\n0.001757 0.376879 0.192834 O\n0.999870 0.624531 0.806246 O\n0.268471 0.915637 0.061768 O\n0.084465 0.943436 0.732183 O\n",
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"formula_full": "Li1 Ti3 Mn1 Cr1 P6 O24",
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"energy": -300.10405023,
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"spacegroup": 146
},
{
"id": "mp-1203497",
"created_at": "2022-09-04T14:47:46.317175Z",
"structure_string": "Sr20 Pt16\n1.0\n-7.896372 0.000000 0.000000\n0.000000 0.000000 -8.223405\n0.000000 -15.734105 0.000000\nSr Pt\n20 16\ndirect\n0.342754 0.827931 0.878780 Sr\n0.842754 0.672069 0.621220 Sr\n0.657246 0.172069 0.378781 Sr\n0.157246 0.327931 0.121219 Sr\n0.657246 0.172069 0.121219 Sr\n0.157246 0.327931 0.378781 Sr\n0.342754 0.827931 0.621220 Sr\n0.842754 0.672069 0.878780 Sr\n0.498620 0.318867 0.904684 Sr\n0.998620 0.181133 0.595316 Sr\n0.501380 0.681133 0.404684 Sr\n0.001380 0.818867 0.095316 Sr\n0.501380 0.681133 0.095316 Sr\n0.001380 0.818867 0.404684 Sr\n0.498620 0.318867 0.595316 Sr\n0.998620 0.181133 0.904684 Sr\n0.184265 0.486912 0.750000 Sr\n0.684265 0.013088 0.750000 Sr\n0.815735 0.513088 0.250000 Sr\n0.315735 0.986912 0.250000 Sr\n0.331640 0.030025 0.039466 Pt\n0.831640 0.469975 0.460534 Pt\n0.668360 0.969975 0.539466 Pt\n0.168360 0.530025 0.960534 Pt\n0.668360 0.969975 0.960534 Pt\n0.168360 0.530025 0.539466 Pt\n0.331640 0.030025 0.460534 Pt\n0.831640 0.469975 0.039466 Pt\n0.551921 0.601441 0.750000 Pt\n0.051921 0.898559 0.750000 Pt\n0.448079 0.398559 0.250000 Pt\n0.948079 0.101441 0.250000 Pt\n0.298282 0.130788 0.750000 Pt\n0.798282 0.369212 0.750000 Pt\n0.701718 0.869212 0.250000 Pt\n0.201718 0.630788 0.250000 Pt\n",
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