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{
"count": 146323,
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"results": [
{
"id": "mp-29905",
"created_at": "2022-09-04T14:40:19.128776Z",
"structure_string": "Mn36 Nb8 Ge32\n1.0\n5.073213 0.000000 0.000000\n0.000000 13.200191 0.000000\n0.000000 0.000000 16.037408\nMn Nb Ge\n36 8 32\ndirect\n0.494092 0.865715 0.174659 Mn\n0.994092 0.134285 0.825341 Mn\n0.005908 0.365715 0.325341 Mn\n0.505908 0.634285 0.674659 Mn\n0.505908 0.134285 0.825341 Mn\n0.005908 0.865715 0.174659 Mn\n0.994092 0.634285 0.674659 Mn\n0.494092 0.365715 0.325341 Mn\n0.498559 0.560570 0.121906 Mn\n0.998559 0.439430 0.878094 Mn\n0.001441 0.060570 0.378094 Mn\n0.501441 0.939430 0.621906 Mn\n0.501441 0.439430 0.878094 Mn\n0.001441 0.560570 0.121906 Mn\n0.998559 0.939430 0.621906 Mn\n0.498559 0.060570 0.378094 Mn\n0.750000 0.566146 0.304057 Mn\n0.250000 0.433854 0.695943 Mn\n0.750000 0.066146 0.195943 Mn\n0.250000 0.933854 0.804057 Mn\n0.750000 0.635413 0.841814 Mn\n0.250000 0.364587 0.158186 Mn\n0.750000 0.135413 0.658186 Mn\n0.250000 0.864587 0.341814 Mn\n0.750000 0.954044 0.907502 Mn\n0.250000 0.045956 0.092498 Mn\n0.750000 0.454044 0.592498 Mn\n0.250000 0.545956 0.407502 Mn\n0.750000 0.625573 0.504639 Mn\n0.250000 0.374427 0.495361 Mn\n0.750000 0.125573 0.995361 Mn\n0.250000 0.874427 0.004639 Mn\n0.750000 0.811240 0.751358 Mn\n0.250000 0.188760 0.248642 Mn\n0.750000 0.311240 0.748642 Mn\n0.250000 0.688760 0.251358 Mn\n0.750000 0.863720 0.457863 Nb\n0.250000 0.136280 0.542137 Nb\n0.750000 0.363720 0.042137 Nb\n0.250000 0.636280 0.957863 Nb\n0.750000 0.750295 0.027785 Nb\n0.250000 0.249705 0.972215 Nb\n0.750000 0.250295 0.472215 Nb\n0.250000 0.749705 0.527785 Nb\n0.504022 0.709018 0.381028 Ge\n0.004022 0.290982 0.618972 Ge\n0.995978 0.209018 0.118972 Ge\n0.495978 0.790982 0.881028 Ge\n0.495978 0.290982 0.618972 Ge\n0.995978 0.709018 0.381028 Ge\n0.004022 0.790982 0.881028 Ge\n0.504022 0.209018 0.118972 Ge\n0.750000 0.705192 0.196874 Ge\n0.250000 0.294808 0.803126 Ge\n0.750000 0.205192 0.303126 Ge\n0.250000 0.794808 0.696874 Ge\n0.750000 0.916973 0.300056 Ge\n0.250000 0.083027 0.699944 Ge\n0.750000 0.416973 0.199944 Ge\n0.250000 0.583027 0.800056 Ge\n0.750000 0.554073 0.982640 Ge\n0.250000 0.445927 0.017360 Ge\n0.750000 0.054073 0.517360 Ge\n0.250000 0.945927 0.482640 Ge\n0.750000 0.953630 0.064325 Ge\n0.250000 0.046370 0.935675 Ge\n0.750000 0.453630 0.435675 Ge\n0.250000 0.546370 0.564325 Ge\n0.750000 0.771201 0.602572 Ge\n0.250000 0.228799 0.397428 Ge\n0.750000 0.271201 0.897428 Ge\n0.250000 0.728799 0.102572 Ge\n0.750000 0.993397 0.756229 Ge\n0.250000 0.006603 0.243771 Ge\n0.750000 0.493397 0.743771 Ge\n0.250000 0.506603 0.256229 Ge\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Ge"
],
"chemical_system": "Ge-Mn-Nb",
"density": 7.801100535472434,
"density_atomic": 0.07076460752669624,
"volume": 1073.9832051118024,
"volume_molar": 8.510102677709506,
"formula_full": "Mn36 Nb8 Ge32",
"formula_reduced": "Mn9(NbGe4)2",
"formula_anonymous": "A2B8C9",
"energy": -573.29508606,
"energy_per_atom": -7.543356395526316,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -573.29508606,
"band_gap": 0.0211000000000005,
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"is_magnetic": true,
"total_magnetization": 85.276219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.286000Z",
"spacegroup": 62
},
{
"id": "mp-1213446",
"created_at": "2022-09-04T14:47:13.386945Z",
"structure_string": "K4 Fe6 S12 O76\n1.0\n4.857044 -8.412647 0.000000\n4.857044 8.412647 0.000000\n0.000000 0.000000 19.117945\nK Fe S O\n4 6 12 76\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.819757 0.040291 0.750000 Fe\n0.180243 0.959709 0.250000 Fe\n0.220534 0.180243 0.750000 Fe\n0.779466 0.819757 0.250000 Fe\n0.959709 0.779466 0.750000 Fe\n0.040291 0.220534 0.250000 Fe\n0.677759 0.735097 0.860469 S\n0.322241 0.264903 0.139531 S\n0.057339 0.322241 0.860469 S\n0.322241 0.264903 0.360469 S\n0.942661 0.677759 0.139531 S\n0.677759 0.735097 0.639531 S\n0.264903 0.942661 0.860469 S\n0.942661 0.677759 0.360469 S\n0.735097 0.057339 0.139531 S\n0.057339 0.322241 0.639531 S\n0.735097 0.057339 0.360469 S\n0.264903 0.942661 0.639531 S\n0.666667 0.333333 0.880506 O\n0.333333 0.666667 0.119494 O\n0.333333 0.666667 0.380506 O\n0.666667 0.333333 0.619494 O\n0.722563 0.774567 0.933588 O\n0.277437 0.225433 0.066412 O\n0.052004 0.277437 0.933588 O\n0.277437 0.225433 0.433588 O\n0.947996 0.722563 0.066412 O\n0.722563 0.774567 0.566412 O\n0.225433 0.947996 0.933588 O\n0.947996 0.722563 0.433588 O\n0.774567 0.052004 0.066412 O\n0.052004 0.277437 0.566412 O\n0.774567 0.052004 0.433588 O\n0.225433 0.947996 0.566412 O\n0.630709 0.092868 0.750000 O\n0.369291 0.907132 0.250000 O\n0.462159 0.369291 0.750000 O\n0.537841 0.630709 0.250000 O\n0.907132 0.537841 0.750000 O\n0.092868 0.462159 0.250000 O\n0.642958 0.143931 0.941065 O\n0.357042 0.856069 0.058935 O\n0.500973 0.357042 0.941065 O\n0.357042 0.856069 0.441065 O\n0.499027 0.642958 0.058935 O\n0.642958 0.143931 0.558935 O\n0.856069 0.499027 0.941065 O\n0.499027 0.642958 0.441065 O\n0.143931 0.500973 0.058935 O\n0.500973 0.357042 0.558935 O\n0.143931 0.500973 0.441065 O\n0.856069 0.499027 0.558935 O\n0.515922 0.601475 0.850559 O\n0.484078 0.398525 0.149441 O\n0.085552 0.484078 0.850559 O\n0.484078 0.398525 0.350559 O\n0.914448 0.515922 0.149441 O\n0.515922 0.601475 0.649441 O\n0.398525 0.914448 0.850559 O\n0.914448 0.515922 0.350559 O\n0.601475 0.085552 0.149441 O\n0.085552 0.484078 0.649441 O\n0.601475 0.085552 0.350559 O\n0.398525 0.914448 0.649441 O\n0.901576 0.205635 0.825990 O\n0.098424 0.794365 0.174010 O\n0.304059 0.098424 0.825990 O\n0.098424 0.794365 0.325990 O\n0.695941 0.901576 0.174010 O\n0.901576 0.205635 0.674010 O\n0.794365 0.695941 0.825990 O\n0.695941 0.901576 0.325990 O\n0.205635 0.304059 0.174010 O\n0.304059 0.098424 0.674010 O\n0.205635 0.304059 0.325990 O\n0.794365 0.695941 0.674010 O\n0.666667 0.333333 0.499912 O\n0.333333 0.666667 0.500088 O\n0.333333 0.666667 0.999912 O\n0.666667 0.333333 0.000088 O\n0.689743 0.878968 0.823739 O\n0.310257 0.121032 0.176261 O\n0.189225 0.310257 0.823739 O\n0.310257 0.121032 0.323739 O\n0.810775 0.689743 0.176261 O\n0.689743 0.878968 0.676261 O\n0.121032 0.810775 0.823739 O\n0.810775 0.689743 0.323739 O\n0.878968 0.189225 0.176261 O\n0.189225 0.310257 0.676261 O\n0.878968 0.189225 0.323739 O\n0.121032 0.810775 0.676261 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
"nsites": 98,
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"elements": [
"K",
"Fe",
"S",
"O"
],
"chemical_system": "Fe-K-O-S",
"density": 2.223698431403832,
"density_atomic": 0.06272637186375805,
"volume": 1562.3412782881244,
"volume_molar": 9.600652135723895,
"formula_full": "K4 Fe6 S12 O76",
"formula_reduced": "K2Fe3(S3O19)2",
"formula_anonymous": "A2B3C6D38",
"energy": -563.24036454,
"energy_per_atom": -5.7473506585714285,
"energy_above_hull": null,
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"band_gap": 0.0211999999999998,
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"updated_at": "2021-11-28T01:38:01.443000Z",
"spacegroup": 176
},
{
"id": "mp-1212672",
"created_at": "2022-09-04T14:43:10.345250Z",
"structure_string": "Gd12 B4 Br12\n1.0\n-5.698906 5.698906 5.698906\n5.698906 -5.698906 5.698906\n5.698906 5.698906 -5.698906\nGd B Br\n12 4 12\ndirect\n0.460460 0.480230 0.230230 Gd\n0.750000 0.230230 0.269770 Gd\n0.750000 0.019770 0.480230 Gd\n0.230230 0.460460 0.480230 Gd\n0.269770 0.750000 0.230230 Gd\n0.039540 0.269770 0.019770 Gd\n0.019770 0.039540 0.269770 Gd\n0.480230 0.750000 0.019770 Gd\n0.480230 0.230230 0.460460 Gd\n0.019770 0.480230 0.750000 Gd\n0.269770 0.019770 0.039540 Gd\n0.230230 0.269770 0.750000 Gd\n0.250000 0.250000 0.250000 B\n0.500000 0.000000 0.250000 B\n0.000000 0.250000 0.500000 B\n0.250000 0.500000 0.000000 B\n0.250000 0.757912 0.742088 Br\n0.515825 0.507912 0.757912 Br\n0.984175 0.742088 0.992088 Br\n0.742088 0.250000 0.757912 Br\n0.992088 0.984175 0.742088 Br\n0.250000 0.992088 0.507912 Br\n0.757912 0.515825 0.507912 Br\n0.507912 0.250000 0.992088 Br\n0.757912 0.742088 0.250000 Br\n0.742088 0.992088 0.984175 Br\n0.992088 0.507912 0.250000 Br\n0.507912 0.757912 0.515825 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Gd",
"B",
"Br"
],
"chemical_system": "B-Br-Gd",
"density": 6.480014788587577,
"density_atomic": 0.037820177187945864,
"volume": 740.345553138345,
"volume_molar": 15.923089757282762,
"formula_full": "Gd12 B4 Br12",
"formula_reduced": "Gd3BBr3",
"formula_anonymous": "AB3C3",
"energy": -257.99432645,
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"updated_at": "2021-11-28T01:36:13.467000Z",
"spacegroup": 214
},
{
"id": "mp-773636",
"created_at": "2022-09-04T14:47:30.528729Z",
"structure_string": "Fe19 Si12 O48\n1.0\n7.703508 0.000000 0.000000\n1.653560 11.322689 0.000000\n3.036647 3.852252 10.361936\nFe Si O\n19 12 48\ndirect\n0.000000 0.000000 0.500000 Fe\n0.264364 0.005107 0.228512 Fe\n0.256218 0.008364 0.725393 Fe\n0.319826 0.341490 0.995145 Fe\n0.682180 0.163197 0.993910 Fe\n0.071545 0.329881 0.273769 Fe\n0.071524 0.325009 0.771061 Fe\n0.331546 0.335558 0.500231 Fe\n0.600559 0.337024 0.230210 Fe\n0.588439 0.337449 0.720009 Fe\n0.680174 0.658510 0.004855 Fe\n0.317820 0.836803 0.006090 Fe\n0.411561 0.662551 0.279991 Fe\n0.399441 0.662976 0.769790 Fe\n0.668454 0.664442 0.499769 Fe\n0.928476 0.674991 0.228939 Fe\n0.928455 0.670119 0.726231 Fe\n0.743782 0.991636 0.274607 Fe\n0.735636 0.994893 0.771488 Fe\n0.384482 0.134904 0.403477 Si\n0.337123 0.095804 0.907215 Si\n0.985513 0.237544 0.096956 Si\n0.324847 0.569160 0.097557 Si\n0.948818 0.196005 0.596783 Si\n0.276873 0.531653 0.598269 Si\n0.723127 0.468347 0.401731 Si\n0.051182 0.803995 0.403217 Si\n0.675153 0.430840 0.902443 Si\n0.014487 0.762456 0.903044 Si\n0.662877 0.904196 0.092785 Si\n0.615518 0.865096 0.596523 Si\n0.261309 0.001647 0.056059 O\n0.160254 0.193023 0.168730 O\n0.268287 0.034032 0.390444 O\n0.019361 0.044054 0.668252 O\n0.365730 0.126319 0.552559 O\n0.595505 0.139150 0.319532 O\n0.320769 0.286792 0.329764 O\n0.865121 0.126346 0.108637 O\n0.217176 0.452276 0.108368 O\n0.060263 0.299577 0.609235 O\n0.185383 0.144393 0.820284 O\n0.458914 0.998165 0.832423 O\n0.588491 0.333742 0.051613 O\n0.082455 0.319062 0.946984 O\n0.201522 0.667838 0.166975 O\n0.870177 0.327306 0.178956 O\n0.504015 0.521551 0.162275 O\n0.604983 0.366699 0.390393 O\n0.454687 0.206318 0.906407 O\n0.333389 0.379880 0.674349 O\n0.739785 0.183222 0.683196 O\n0.064329 0.527631 0.681861 O\n0.296499 0.535954 0.451614 O\n0.969552 0.206854 0.446864 O\n0.703501 0.464046 0.548386 O\n0.030448 0.793146 0.553136 O\n0.935671 0.472369 0.318139 O\n0.260215 0.816778 0.316804 O\n0.666611 0.620120 0.325651 O\n0.545313 0.793682 0.093593 O\n0.395017 0.633301 0.609607 O\n0.495985 0.478449 0.837725 O\n0.798478 0.332162 0.833025 O\n0.129823 0.672694 0.821044 O\n0.917545 0.680938 0.053016 O\n0.411509 0.666258 0.948387 O\n0.541086 0.001835 0.167577 O\n0.814617 0.855607 0.179716 O\n0.939737 0.700423 0.390765 O\n0.134879 0.873654 0.891363 O\n0.782824 0.547724 0.891632 O\n0.679231 0.713208 0.670236 O\n0.404495 0.860850 0.680468 O\n0.634270 0.873681 0.447441 O\n0.980639 0.955946 0.331748 O\n0.731713 0.965968 0.609556 O\n0.839746 0.806977 0.831270 O\n0.738691 0.998353 0.943941 O\n",
"nsites": 79,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-O-Si",
"density": 3.979596074544226,
"density_atomic": 0.08740737324951513,
"volume": 903.8139125229717,
"volume_molar": 6.8897400026071685,
"formula_full": "Fe19 Si12 O48",
"formula_reduced": "Fe19(SiO4)12",
"formula_anonymous": "A12B19C48",
"energy": -648.01237331,
"energy_per_atom": -8.202688269746837,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:16.459000Z",
"spacegroup": 2
},
{
"id": "mp-849955",
"created_at": "2022-09-04T14:44:59.317631Z",
"structure_string": "Li9 Mn15 Fe6 O36\n1.0\n-5.105991 0.000000 0.000000\n-2.520658 -4.558255 0.000000\n-1.358398 -0.377390 29.404098\nLi Mn Fe O\n9 15 6 36\ndirect\n0.677531 0.146592 0.000518 Li\n0.664465 0.848423 0.339136 Li\n0.006417 0.837551 0.672673 Li\n0.978731 0.857727 0.161974 Li\n0.327942 0.836337 0.495681 Li\n0.656651 0.852365 0.830408 Li\n0.008696 0.154066 0.080733 Li\n0.334433 0.156033 0.416646 Li\n0.665239 0.153245 0.749865 Li\n0.328645 0.855295 0.249522 Mn\n0.663856 0.846302 0.582317 Mn\n0.001776 0.849274 0.916058 Mn\n0.671331 0.165636 0.249377 Mn\n0.003617 0.168175 0.582671 Mn\n0.662489 0.844781 0.083513 Mn\n0.333869 0.153524 0.917731 Mn\n0.995586 0.843021 0.416794 Mn\n0.667399 0.486424 0.163318 Mn\n0.330478 0.838142 0.750691 Mn\n0.993404 0.491111 0.495931 Mn\n0.010073 0.491865 0.001908 Mn\n0.332153 0.494853 0.831636 Mn\n0.346329 0.477809 0.336725 Mn\n0.677093 0.478980 0.670115 Mn\n0.341654 0.493446 0.083429 Fe\n0.677260 0.478612 0.416871 Fe\n0.011242 0.471316 0.750989 Fe\n0.999929 0.498980 0.249780 Fe\n0.331981 0.505550 0.582523 Fe\n0.669558 0.501201 0.916522 Fe\n0.364404 0.508964 0.212162 O\n0.661472 0.547498 0.541636 O\n0.361915 0.155850 0.288215 O\n0.652585 0.479136 0.286561 O\n0.347488 0.190789 0.047612 O\n0.003941 0.550434 0.876918 O\n0.671793 0.169491 0.618412 O\n0.000135 0.480587 0.619678 O\n0.675684 0.162999 0.382517 O\n0.650719 0.170685 0.118287 O\n0.364770 0.779473 0.122150 O\n0.002643 0.157456 0.954137 O\n0.337192 0.445397 0.957695 O\n0.009445 0.151107 0.714904 O\n0.990800 0.161783 0.451404 O\n0.699806 0.775414 0.454708 O\n0.958657 0.184799 0.207027 O\n0.655407 0.859608 0.214014 O\n0.331130 0.150259 0.786057 O\n0.041213 0.776768 0.790143 O\n0.290217 0.210899 0.541335 O\n0.007049 0.842526 0.547622 O\n0.684699 0.525424 0.046333 O\n0.993561 0.854551 0.284368 O\n0.999385 0.810972 0.048486 O\n0.614018 0.195119 0.875118 O\n0.331967 0.849214 0.881025 O\n0.984054 0.546725 0.378745 O\n0.357230 0.801289 0.619636 O\n0.952936 0.552269 0.123758 O\n0.352643 0.785371 0.380647 O\n0.321796 0.539047 0.712830 O\n0.721785 0.808498 0.957863 O\n0.286665 0.541940 0.456224 O\n0.681461 0.787425 0.713776 O\n0.626477 0.533819 0.790443 O\n",
"nsites": 66,
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"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.361669479233183,
"density_atomic": 0.0964400467035035,
"volume": 684.3630032958325,
"volume_molar": 6.24443990421795,
"formula_full": "Li9 Mn15 Fe6 O36",
"formula_reduced": "Li3Mn5(FeO6)2",
"formula_anonymous": "A2B3C5D12",
"energy": -511.71740227,
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"structure_string": "Eu12 Rh4\n1.0\n6.584124 0.000000 0.000000\n0.000000 7.707020 0.000000\n0.000000 0.000000 9.937965\nEu Rh\n12 4\ndirect\n0.336050 0.670672 0.069129 Eu\n0.163950 0.170672 0.430871 Eu\n0.663950 0.329328 0.569129 Eu\n0.836050 0.829328 0.930871 Eu\n0.663950 0.329328 0.930871 Eu\n0.836050 0.829328 0.569129 Eu\n0.336050 0.670672 0.430871 Eu\n0.163950 0.170672 0.069129 Eu\n0.857730 0.541558 0.250000 Eu\n0.642270 0.041558 0.250000 Eu\n0.142270 0.458442 0.750000 Eu\n0.357730 0.958442 0.750000 Eu\n0.052770 0.881769 0.250000 Rh\n0.447230 0.381769 0.250000 Rh\n0.947230 0.118231 0.750000 Rh\n0.552770 0.618231 0.750000 Rh\n",
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"elements": [
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],
"chemical_system": "Eu-Rh",
"density": 7.36006403624854,
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"volume": 504.291850993933,
"volume_molar": 18.980728192540067,
"formula_full": "Eu12 Rh4",
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"updated_at": "2021-11-28T01:38:21.143000Z",
"spacegroup": 62
},
{
"id": "mp-1099952",
"created_at": "2022-09-04T14:45:59.489864Z",
"structure_string": "Ca28 Mg4 Co28 Cu4 O80\n1.0\n-0.030040 -0.043764 10.656230\n11.022482 0.000855 -0.030741\n-5.495081 14.781470 -5.373809\nCa Mg Co Cu O\n28 4 28 4 80\ndirect\n0.302127 0.062379 0.609648 Ca\n0.305822 0.561827 0.608214 Ca\n0.807859 0.068398 0.608662 Ca\n0.804695 0.565421 0.106880 Ca\n0.805187 0.563816 0.608504 Ca\n0.194753 0.431089 0.389679 Ca\n0.204876 0.438687 0.891779 Ca\n0.193765 0.933688 0.386859 Ca\n0.200174 0.936605 0.896417 Ca\n0.696178 0.435674 0.391706 Ca\n0.692502 0.441821 0.890044 Ca\n0.695225 0.935069 0.389328 Ca\n0.694932 0.936950 0.894287 Ca\n0.051054 0.289200 0.109933 Ca\n0.059035 0.296531 0.608313 Ca\n0.056738 0.790515 0.608089 Ca\n0.554672 0.290922 0.108784 Ca\n0.556498 0.303051 0.611156 Ca\n0.557084 0.791389 0.106556 Ca\n0.549489 0.790202 0.608696 Ca\n0.447244 0.203920 0.386505 Ca\n0.445527 0.207014 0.888921 Ca\n0.443005 0.703244 0.385256 Ca\n0.447277 0.697988 0.889144 Ca\n0.947407 0.203292 0.388423 Ca\n0.944506 0.206597 0.891638 Ca\n0.943891 0.706577 0.389372 Ca\n0.951042 0.706864 0.898162 Ca\n0.285427 0.068943 0.113554 Mg\n0.297848 0.567286 0.105462 Mg\n0.785897 0.073367 0.112470 Mg\n0.028744 0.787914 0.114095 Mg\n0.008409 0.999282 0.005574 Co\n0.004487 0.999652 0.498782 Co\n0.010883 0.504404 0.005181 Co\n0.005035 0.500260 0.500174 Co\n0.505345 0.996756 0.999737 Co\n0.505864 0.001789 0.501362 Co\n0.509074 0.503317 0.003479 Co\n0.503730 0.499926 0.499049 Co\n0.258861 0.252097 0.005012 Co\n0.255895 0.247929 0.500036 Co\n0.258733 0.752543 0.005127 Co\n0.252779 0.748786 0.498459 Co\n0.756660 0.249044 0.000905 Co\n0.755110 0.249597 0.498424 Co\n0.761549 0.756002 0.003694 Co\n0.753482 0.750999 0.500122 Co\n0.098665 0.083805 0.240458 Co\n0.108634 0.092615 0.752310 Co\n0.109071 0.596627 0.249430 Co\n0.601764 0.092239 0.246631 Co\n0.613489 0.094727 0.750335 Co\n0.599637 0.590636 0.242974 Co\n0.356164 0.401640 0.244130 Co\n0.344765 0.895978 0.237927 Co\n0.856581 0.401135 0.248694 Co\n0.865241 0.408649 0.751197 Co\n0.854490 0.908235 0.244018 Co\n0.861362 0.905117 0.754920 Co\n0.105404 0.599283 0.752799 Cu\n0.614703 0.607546 0.755094 Cu\n0.358941 0.407158 0.750601 Cu\n0.356010 0.900760 0.749998 Cu\n0.124083 0.118488 0.484763 O\n0.117872 0.114794 0.985062 O\n0.119817 0.617832 0.480395 O\n0.131242 0.615542 0.993309 O\n0.620892 0.118437 0.481064 O\n0.619892 0.118578 0.987674 O\n0.620939 0.623473 0.487668 O\n0.623492 0.622244 0.985192 O\n0.154227 0.386771 0.029683 O\n0.134260 0.378983 0.509635 O\n0.152742 0.891999 0.027400 O\n0.134261 0.876287 0.510763 O\n0.637492 0.378421 0.014482 O\n0.636665 0.378138 0.512260 O\n0.657485 0.894933 0.028305 O\n0.628791 0.883739 0.508837 O\n0.376770 0.111480 0.486270 O\n0.370852 0.126050 0.985251 O\n0.367537 0.616773 0.481396 O\n0.376302 0.619851 0.987896 O\n0.871074 0.118100 0.483218 O\n0.871412 0.113442 0.989849 O\n0.870849 0.615726 0.484367 O\n0.874571 0.620401 0.987844 O\n0.391348 0.404348 0.027866 O\n0.381727 0.374842 0.504596 O\n0.391234 0.897566 0.023647 O\n0.384650 0.881882 0.514767 O\n0.895694 0.387390 0.016815 O\n0.884247 0.380834 0.511167 O\n0.908092 0.887417 0.034861 O\n0.881553 0.881560 0.510400 O\n0.103398 0.102368 0.136879 O\n0.087803 0.103760 0.642721 O\n0.088799 0.623232 0.144061 O\n0.083127 0.593062 0.633900 O\n0.610832 0.109850 0.145555 O\n0.595145 0.107792 0.640577 O\n0.597750 0.601594 0.136752 O\n0.575957 0.593381 0.634973 O\n0.446222 0.401337 0.356392 O\n0.445114 0.408078 0.871511 O\n0.430870 0.895147 0.350653 O\n0.446876 0.896627 0.866777 O\n0.943189 0.397146 0.360413 O\n0.959906 0.396971 0.861101 O\n0.945449 0.897210 0.353015 O\n0.943138 0.900768 0.870366 O\n0.342728 0.264363 0.143116 O\n0.334753 0.287503 0.633679 O\n0.343705 0.767422 0.135308 O\n0.324026 0.784438 0.630147 O\n0.838395 0.272594 0.142665 O\n0.838571 0.291016 0.636883 O\n0.841973 0.783576 0.136657 O\n0.839737 0.788390 0.645599 O\n0.187205 0.199156 0.352681 O\n0.198634 0.217164 0.862062 O\n0.194817 0.713334 0.361948 O\n0.194882 0.714818 0.875252 O\n0.684164 0.209707 0.360364 O\n0.703186 0.217517 0.860343 O\n0.681175 0.710555 0.353793 O\n0.702884 0.721115 0.874959 O\n0.411981 0.059125 0.234017 O\n0.435716 0.066157 0.750535 O\n0.410437 0.562027 0.231762 O\n0.434120 0.568168 0.750220 O\n0.912898 0.068847 0.235249 O\n0.925626 0.067558 0.751741 O\n0.927233 0.562501 0.247286 O\n0.923009 0.573686 0.753400 O\n0.176696 0.434412 0.247959 O\n0.181931 0.437403 0.750424 O\n0.157438 0.916129 0.233350 O\n0.166543 0.928859 0.752617 O\n0.675676 0.433345 0.249118 O\n0.691507 0.435816 0.752074 O\n0.675007 0.932220 0.247777 O\n0.678412 0.931666 0.751498 O\n",
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"elements": [
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"Mg",
"Co",
"Cu",
"O"
],
"chemical_system": "Ca-Co-Cu-Mg-O",
"density": 4.217982842335511,
"density_atomic": 0.08306221155019651,
"volume": 1733.6403318972227,
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"formula_full": "Ca28 Mg4 Co28 Cu4 O80",
"formula_reduced": "Ca7MgCo7CuO20",
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"energy": -974.86489592,
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"updated_at": "2021-11-28T01:37:16.984000Z",
"spacegroup": 1
}
]
}