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{
"id": "mp-30665",
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"structure_string": "Ga68 Rh40\n1.0\n5.879876 0.000000 0.000000\n0.000000 5.879876 0.000000\n0.000000 0.000000 48.233912\nGa Rh\n68 40\ndirect\n0.171668 0.171668 0.250000 Ga\n0.171668 0.828332 0.750000 Ga\n0.828332 0.171668 0.750000 Ga\n0.828332 0.828332 0.250000 Ga\n0.347099 0.233069 0.015159 Ga\n0.233069 0.652901 0.984841 Ga\n0.766931 0.347099 0.984841 Ga\n0.652901 0.766931 0.015159 Ga\n0.233069 0.347099 0.484841 Ga\n0.766931 0.652901 0.484841 Ga\n0.652901 0.233069 0.515159 Ga\n0.347099 0.766931 0.515159 Ga\n0.798904 0.156272 0.044989 Ga\n0.156272 0.201096 0.955011 Ga\n0.843728 0.798904 0.955011 Ga\n0.201096 0.843728 0.044989 Ga\n0.156272 0.798904 0.455011 Ga\n0.843728 0.201096 0.455011 Ga\n0.201096 0.156272 0.544989 Ga\n0.798904 0.843728 0.544989 Ga\n0.166935 0.322716 0.073782 Ga\n0.322716 0.833065 0.926218 Ga\n0.677284 0.166935 0.926218 Ga\n0.833065 0.677284 0.073782 Ga\n0.322716 0.166935 0.426218 Ga\n0.677284 0.833065 0.426218 Ga\n0.833065 0.322716 0.573782 Ga\n0.166935 0.677284 0.573782 Ga\n0.662565 0.315479 0.102525 Ga\n0.315479 0.337435 0.897475 Ga\n0.684521 0.662565 0.897475 Ga\n0.337435 0.684521 0.102525 Ga\n0.315479 0.662565 0.397475 Ga\n0.684521 0.337435 0.397475 Ga\n0.337435 0.315479 0.602525 Ga\n0.662565 0.684521 0.602525 Ga\n0.288671 0.154410 0.131541 Ga\n0.154410 0.711329 0.868459 Ga\n0.845590 0.288671 0.868459 Ga\n0.711329 0.845590 0.131541 Ga\n0.154410 0.288671 0.368459 Ga\n0.845590 0.711329 0.368459 Ga\n0.711329 0.154410 0.631541 Ga\n0.288671 0.845590 0.631541 Ga\n0.847729 0.244666 0.161634 Ga\n0.244666 0.152271 0.838366 Ga\n0.755334 0.847729 0.838366 Ga\n0.152271 0.755334 0.161634 Ga\n0.244666 0.847729 0.338366 Ga\n0.755334 0.152271 0.338366 Ga\n0.152271 0.244666 0.661634 Ga\n0.847729 0.755334 0.661634 Ga\n0.278615 0.346489 0.191972 Ga\n0.346489 0.721385 0.808028 Ga\n0.653511 0.278615 0.808028 Ga\n0.721385 0.653511 0.191972 Ga\n0.346489 0.278615 0.308028 Ga\n0.653511 0.721385 0.308028 Ga\n0.721385 0.346489 0.691972 Ga\n0.278615 0.653511 0.691972 Ga\n0.659249 0.192039 0.221301 Ga\n0.192039 0.340751 0.778699 Ga\n0.807961 0.659249 0.778699 Ga\n0.340751 0.807961 0.221301 Ga\n0.192039 0.659249 0.278699 Ga\n0.807961 0.340751 0.278699 Ga\n0.340751 0.192039 0.721301 Ga\n0.659249 0.807961 0.721301 Ga\n0.500000 0.500000 0.250000 Rh\n0.500000 0.500000 0.750000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.098742 Rh\n0.000000 0.000000 0.901258 Rh\n0.000000 0.000000 0.401258 Rh\n0.000000 0.000000 0.598742 Rh\n0.000000 0.000000 0.201255 Rh\n0.000000 0.000000 0.798745 Rh\n0.000000 0.000000 0.298745 Rh\n0.000000 0.000000 0.701255 Rh\n0.500000 0.500000 0.051587 Rh\n0.500000 0.500000 0.948413 Rh\n0.500000 0.500000 0.448413 Rh\n0.500000 0.500000 0.551587 Rh\n0.500000 0.500000 0.149405 Rh\n0.500000 0.500000 0.850595 Rh\n0.500000 0.500000 0.350595 Rh\n0.500000 0.500000 0.649405 Rh\n0.000000 0.500000 0.025974 Rh\n0.500000 0.000000 0.974026 Rh\n0.500000 0.000000 0.474026 Rh\n0.000000 0.500000 0.525974 Rh\n0.000000 0.500000 0.123509 Rh\n0.500000 0.000000 0.876491 Rh\n0.500000 0.000000 0.376491 Rh\n0.000000 0.500000 0.623509 Rh\n0.000000 0.500000 0.226557 Rh\n0.500000 0.000000 0.773443 Rh\n0.500000 0.000000 0.273443 Rh\n0.000000 0.500000 0.726557 Rh\n0.000000 0.500000 0.324693 Rh\n0.500000 0.000000 0.675307 Rh\n0.500000 0.000000 0.175307 Rh\n0.000000 0.500000 0.824693 Rh\n0.000000 0.500000 0.424272 Rh\n0.500000 0.000000 0.575728 Rh\n0.500000 0.000000 0.075728 Rh\n0.000000 0.500000 0.924272 Rh\n",
"nsites": 108,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 8.819942408395255,
"density_atomic": 0.06476418937301287,
"volume": 1667.5882311746097,
"volume_molar": 9.29856579430826,
"formula_full": "Ga68 Rh40",
"formula_reduced": "Ga17Rh10",
"formula_anonymous": "A10B17",
"energy": -565.12003087,
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"energy_uncorrected": -565.12003087,
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"updated_at": "2021-11-28T01:35:15.891000Z",
"spacegroup": 116
},
{
"id": "mp-569825",
"created_at": "2022-09-04T14:41:54.048847Z",
"structure_string": "Dy10 Si17\n1.0\n-3.352789 4.135814 9.610987\n3.352789 -4.135814 9.610987\n3.352789 4.135814 -9.610987\nDy Si\n10 17\ndirect\n0.755406 0.760629 0.516035 Dy\n0.451697 0.962909 0.015060 Dy\n0.848121 0.367913 0.015272 Dy\n0.947849 0.962909 0.511211 Dy\n0.151879 0.167151 0.519792 Dy\n0.352641 0.367913 0.519792 Dy\n0.244594 0.760629 0.005224 Dy\n0.548303 0.563363 0.511211 Dy\n0.052151 0.563363 0.015060 Dy\n0.647359 0.167151 0.015272 Dy\n0.714378 0.669239 0.954861 Si\n0.199079 0.578020 0.378940 Si\n0.000000 0.080655 0.080655 Si\n0.699510 0.295478 0.595968 Si\n0.800921 0.179861 0.378940 Si\n0.895765 0.504754 0.608989 Si\n0.417144 0.871996 0.454852 Si\n0.104235 0.713224 0.608989 Si\n0.300490 0.896458 0.595968 Si\n0.582856 0.037708 0.454852 Si\n0.000000 0.430650 0.430650 Si\n0.879640 0.843787 0.964148 Si\n0.399829 0.500502 0.100673 Si\n0.120360 0.084508 0.964148 Si\n0.285622 0.240482 0.954861 Si\n0.500000 0.389403 0.889403 Si\n0.600171 0.700844 0.100673 Si\n",
"nsites": 27,
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"elements": [
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],
"chemical_system": "Dy-Si",
"density": 6.549079970794174,
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"volume": 533.0834541689895,
"volume_molar": 11.890013325306162,
"formula_full": "Dy10 Si17",
"formula_reduced": "Dy10Si17",
"formula_anonymous": "A10B17",
"energy": -155.20757175,
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"updated_at": "2021-11-28T01:35:35.634000Z",
"spacegroup": 44
},
{
"id": "mp-568548",
"created_at": "2022-09-04T14:45:54.267751Z",
"structure_string": "Mg10 B16 Ir19\n1.0\n-5.321679 5.321679 5.321679\n5.321679 -5.321679 5.321679\n5.321679 5.321679 -5.321679\nMg B Ir\n10 16 19\ndirect\n0.347373 0.347373 0.000000 Mg\n0.000000 0.000000 0.333749 Mg\n0.000000 0.347373 0.347373 Mg\n0.652627 0.652627 0.000000 Mg\n0.666251 0.666251 0.666251 Mg\n0.000000 0.333749 0.000000 Mg\n0.000000 0.652627 0.652627 Mg\n0.333749 0.000000 0.000000 Mg\n0.652627 0.000000 0.652627 Mg\n0.347373 0.000000 0.347373 Mg\n0.000000 0.751590 0.424281 B\n0.327308 0.575719 0.575719 B\n0.000000 0.424281 0.751590 B\n0.000000 0.776807 0.000000 B\n0.223193 0.223193 0.223193 B\n0.248410 0.672692 0.248410 B\n0.424281 0.000000 0.751590 B\n0.424281 0.751590 0.000000 B\n0.776807 0.000000 0.000000 B\n0.248410 0.248410 0.672692 B\n0.575719 0.327308 0.575719 B\n0.000000 0.000000 0.776807 B\n0.751590 0.000000 0.424281 B\n0.575719 0.575719 0.327308 B\n0.672692 0.248410 0.248410 B\n0.751590 0.424281 0.000000 B\n0.677664 0.000000 0.182069 Ir\n0.000000 0.182069 0.677664 Ir\n0.500000 0.250000 0.750000 Ir\n0.504405 0.322336 0.322336 Ir\n0.677664 0.182069 0.000000 Ir\n0.817931 0.817931 0.495595 Ir\n0.000000 0.677664 0.182069 Ir\n0.495595 0.817931 0.817931 Ir\n0.182069 0.677664 0.000000 Ir\n0.322336 0.504405 0.322336 Ir\n0.500000 0.750000 0.250000 Ir\n0.182069 0.000000 0.677664 Ir\n0.750000 0.500000 0.250000 Ir\n0.322336 0.322336 0.504405 Ir\n0.250000 0.750000 0.500000 Ir\n0.817931 0.495595 0.817931 Ir\n0.750000 0.250000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.500000 0.750000 Ir\n",
"nsites": 45,
"nelements": 3,
"elements": [
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"B",
"Ir"
],
"chemical_system": "B-Ir-Mg",
"density": 11.205724301511774,
"density_atomic": 0.07464599277988511,
"volume": 602.84548874171,
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"formula_full": "Mg10 B16 Ir19",
"formula_reduced": "Mg10B16Ir19",
"formula_anonymous": "A10B16C19",
"energy": -312.01800475,
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"updated_at": "2021-11-28T01:37:13.661000Z",
"spacegroup": 217
},
{
"id": "mp-675768",
"created_at": "2022-09-04T14:44:59.427548Z",
"structure_string": "Dy14 Ti10 O41\n1.0\n3.654012 6.300799 0.000000\n-3.654012 6.300799 0.000000\n0.000000 0.229083 17.672923\nDy Ti O\n14 10 41\ndirect\n0.344289 0.344289 0.186505 Dy\n0.515898 0.515898 0.998634 Dy\n0.828247 0.828247 0.159479 Dy\n0.834498 0.344875 0.167319 Dy\n0.979176 0.979176 0.990943 Dy\n0.344875 0.834498 0.167319 Dy\n0.500854 0.500854 0.504863 Dy\n0.500978 0.002113 0.500625 Dy\n0.668184 0.668184 0.335359 Dy\n0.002113 0.500978 0.500625 Dy\n0.165705 0.165705 0.834962 Dy\n0.184978 0.669899 0.824406 Dy\n0.326505 0.326505 0.665381 Dy\n0.669899 0.184978 0.824406 Dy\n0.018661 0.489247 0.003034 Ti\n0.489247 0.018661 0.003034 Ti\n0.681200 0.161063 0.335922 Ti\n0.161062 0.681200 0.335922 Ti\n0.164538 0.164538 0.333866 Ti\n0.335897 0.835896 0.665363 Ti\n0.664037 0.664037 0.835783 Ti\n0.835896 0.335897 0.665363 Ti\n0.834566 0.834566 0.667049 Ti\n0.002342 0.002342 0.501321 Ti\n0.797011 0.797011 0.028841 O\n0.700840 0.144985 0.217233 O\n0.861439 0.307600 0.040763 O\n0.144985 0.700840 0.217233 O\n0.496140 0.496140 0.123897 O\n0.292311 0.856737 0.322110 O\n0.458927 0.458927 0.340740 O\n0.270374 0.865113 0.555947 O\n0.165159 0.165159 0.219531 O\n0.307600 0.861439 0.040763 O\n0.483564 0.058187 0.109804 O\n0.667505 0.667505 0.460591 O\n0.460660 0.083794 0.347371 O\n0.675312 0.675312 0.210594 O\n0.856737 0.292311 0.322110 O\n0.865113 0.270374 0.555947 O\n0.142437 0.142437 0.445698 O\n0.936319 0.531698 0.636969 O\n0.137075 0.137075 0.684848 O\n0.885032 0.515625 0.903405 O\n0.058187 0.483564 0.109804 O\n0.083794 0.460660 0.347371 O\n0.856834 0.856834 0.329909 O\n0.865981 0.865981 0.557434 O\n0.147077 0.714186 0.447008 O\n0.531698 0.936319 0.636969 O\n0.135081 0.723643 0.691547 O\n0.332406 0.332406 0.541100 O\n0.327637 0.327637 0.789789 O\n0.515625 0.885032 0.903405 O\n0.616008 0.175241 0.963128 O\n0.796392 0.796392 0.776527 O\n0.513978 0.513978 0.869706 O\n0.714186 0.147077 0.447008 O\n0.723643 0.135081 0.691547 O\n0.530213 0.530213 0.638205 O\n0.822863 0.378001 0.773892 O\n0.175241 0.616008 0.963128 O\n0.997174 0.997174 0.870365 O\n0.219792 0.219792 0.961392 O\n0.378001 0.822863 0.773892 O\n",
"nsites": 65,
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"elements": [
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],
"chemical_system": "Dy-O-Ti",
"density": 6.957517972259837,
"density_atomic": 0.07987472591542122,
"volume": 813.7743103973595,
"volume_molar": 7.539482221668971,
"formula_full": "Dy14 Ti10 O41",
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"energy": -590.13746996,
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"updated_at": "2021-11-28T01:36:47.901000Z",
"spacegroup": 8
},
{
"id": "mp-676167",
"created_at": "2022-09-04T14:45:26.057930Z",
"structure_string": "Tb14 Ti10 O41\n1.0\n3.658675 6.310339 0.000000\n-3.658675 6.310339 0.000000\n0.000000 0.224274 17.695344\nTb Ti O\n14 10 41\ndirect\n0.833900 0.833900 0.170414 Tb\n0.000994 0.000994 0.001695 Tb\n0.833979 0.335037 0.167240 Tb\n0.335037 0.833979 0.167240 Tb\n0.498369 0.498369 0.500429 Tb\n0.661789 0.661789 0.331668 Tb\n0.516660 0.002271 0.491219 Tb\n0.002271 0.516660 0.491219 Tb\n0.311380 0.311380 0.657972 Tb\n0.168413 0.677330 0.834032 Tb\n0.849889 0.849889 0.665311 Tb\n0.677330 0.168413 0.834032 Tb\n0.677567 0.677567 0.854208 Tb\n0.162010 0.162010 0.826065 Tb\n0.014277 0.493858 0.003936 Ti\n0.493858 0.014277 0.003936 Ti\n0.497199 0.497199 0.001598 Ti\n0.169204 0.668780 0.332153 Ti\n0.998042 0.998042 0.502140 Ti\n0.335650 0.335650 0.169207 Ti\n0.167393 0.167393 0.333474 Ti\n0.668780 0.169204 0.332153 Ti\n0.822040 0.352933 0.669457 Ti\n0.352933 0.822040 0.669457 Ti\n0.792199 0.792199 0.010076 O\n0.602621 0.198822 0.222708 O\n0.793213 0.417873 0.014823 O\n0.000833 0.000833 0.126620 O\n0.198822 0.602621 0.222708 O\n0.469702 0.469702 0.351321 O\n0.474774 0.474774 0.112541 O\n0.222001 0.849795 0.568051 O\n0.269546 0.865011 0.303679 O\n0.199893 0.199893 0.224358 O\n0.417873 0.793213 0.014823 O\n0.478647 0.049224 0.113742 O\n0.467546 0.058614 0.357760 O\n0.665669 0.665669 0.207595 O\n0.865011 0.269546 0.303679 O\n0.661054 0.661054 0.456070 O\n0.849795 0.222001 0.568051 O\n0.128073 0.128073 0.694780 O\n0.130044 0.130044 0.442200 O\n0.948683 0.508465 0.629980 O\n0.032966 0.479227 0.884927 O\n0.848162 0.848162 0.536396 O\n0.863617 0.863617 0.304760 O\n0.049224 0.478647 0.113742 O\n0.058614 0.467546 0.357760 O\n0.154133 0.711815 0.439680 O\n0.195867 0.642054 0.707119 O\n0.329985 0.329985 0.537578 O\n0.508465 0.948683 0.629980 O\n0.479227 0.032966 0.884927 O\n0.829541 0.829541 0.790796 O\n0.623973 0.190509 0.989025 O\n0.711815 0.154133 0.439680 O\n0.554116 0.554116 0.628455 O\n0.499373 0.499373 0.887246 O\n0.642054 0.195867 0.707119 O\n0.817538 0.393249 0.775637 O\n0.008432 0.008432 0.876462 O\n0.190509 0.623973 0.989025 O\n0.393249 0.817538 0.775637 O\n0.190842 0.190842 0.996564 O\n",
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"elements": [
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"density": 6.827648893659312,
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"formula_full": "Tb14 Ti10 O41",
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"updated_at": "2021-11-28T01:37:02.515000Z",
"spacegroup": 8
},
{
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0.840559 Si\n0.395377 0.435393 0.175840 Si\n0.270845 0.154203 0.020171 Si\n0.293119 0.854350 0.159441 Si\n0.237762 0.145692 0.345956 Si\n0.227506 0.985571 0.298214 Si\n0.895377 0.064607 0.324160 Si\n0.737762 0.354308 0.154044 Si\n0.641133 0.939722 0.173675 Si\n0.514343 0.247882 0.992515 Si\n0.772494 0.014429 0.701786 Si\n0.485657 0.752118 0.007485 Si\n0.789052 0.180521 0.476340 Si\n0.210948 0.819479 0.523660 Si\n0.710948 0.680521 0.976340 Si\n0.262238 0.645692 0.845956 Si\n0.255914 0.772445 0.457464 Si\n0.858867 0.439722 0.673675 Si\n0.727506 0.514429 0.201786 Si\n0.770845 0.345797 0.479829 Si\n0.604623 0.564607 0.824160 Si\n0.183634 0.525522 0.698655 Si\n0.141133 0.560278 0.326325 Si\n0.744086 0.227555 0.542536 Si\n0.229155 0.654203 0.520171 Si\n0.206881 0.354350 0.659441 Si\n0.985657 0.747882 0.492515 Si\n0.729155 0.845797 0.979829 Si\n0.014343 0.252118 0.507485 Si\n0.755914 0.727555 0.042536 Si\n0.289052 0.319479 0.023660 Si\n0.793119 0.645650 0.340559 Si\n0.316366 0.025522 0.198655 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"updated_at": "2021-11-28T01:34:30.863000Z",
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},
{
"id": "mp-766145",
"created_at": "2022-09-04T14:40:07.187356Z",
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},
{
"id": "mp-1203385",
"created_at": "2022-09-04T14:39:11.233047Z",
"structure_string": "Lu10 Mn13 C18\n1.0\n-4.961596 4.961596 4.961596\n4.961596 -4.961596 4.961596\n4.961596 4.961596 -4.961596\nLu Mn C\n10 13 18\ndirect\n0.500000 0.750000 0.250000 Lu\n0.750000 0.500000 0.250000 Lu\n0.250000 0.750000 0.500000 Lu\n0.250000 0.500000 0.750000 Lu\n0.500000 0.250000 0.750000 Lu\n0.750000 0.250000 0.500000 Lu\n0.411367 0.000000 0.000000 Lu\n0.000000 0.411367 0.000000 Lu\n0.000000 0.000000 0.411367 Lu\n0.588633 0.588633 0.588633 Lu\n0.000000 0.000000 0.000000 Mn\n0.665484 0.820028 0.000000 Mn\n0.845456 0.179972 0.179972 Mn\n0.665484 0.000000 0.820028 Mn\n0.820028 0.665484 0.000000 Mn\n0.000000 0.665484 0.820028 Mn\n0.179972 0.845456 0.179972 Mn\n0.179972 0.179972 0.845456 Mn\n0.000000 0.820028 0.665484 Mn\n0.820028 0.000000 0.665484 Mn\n0.334516 0.334516 0.154544 Mn\n0.154544 0.334516 0.334516 Mn\n0.334516 0.154544 0.334516 Mn\n0.702640 0.223509 0.000000 C\n0.479130 0.776491 0.776491 C\n0.702640 0.000000 0.223509 C\n0.223509 0.702640 0.000000 C\n0.000000 0.702640 0.223509 C\n0.776491 0.479130 0.776491 C\n0.776491 0.776491 0.479130 C\n0.000000 0.223509 0.702640 C\n0.223509 0.000000 0.702640 C\n0.297360 0.297360 0.520870 C\n0.520870 0.297360 0.297360 C\n0.297360 0.520870 0.297360 C\n0.569401 0.569401 0.000000 C\n0.000000 0.430599 0.430599 C\n0.569401 0.000000 0.569401 C\n0.000000 0.569401 0.569401 C\n0.430599 0.000000 0.430599 C\n0.430599 0.430599 0.000000 C\n",
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],
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}
]
}