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{
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"results": [
{
"id": "mp-1218516",
"created_at": "2022-09-04T14:40:15.880541Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n2.828373 -6.244336 0.000000\n2.828373 6.244336 0.000000\n0.000000 0.000000 5.656334\nSr Mn Ru O\n4 1 1 8\ndirect\n0.642358 0.357642 0.000000 Sr\n0.144476 0.855524 0.500000 Sr\n0.855524 0.144476 0.500000 Sr\n0.357642 0.642358 0.000000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ru\n0.754804 0.754804 0.754794 O\n0.245196 0.245196 0.245206 O\n0.245196 0.245196 0.754794 O\n0.754804 0.754804 0.245206 O\n0.838286 0.161714 0.000000 O\n0.342591 0.657409 0.500000 O\n0.657409 0.342591 0.500000 O\n0.161714 0.838286 0.000000 O\n",
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"spacegroup": 65
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{
"id": "mp-973785",
"created_at": "2022-09-04T14:40:16.022188Z",
"structure_string": "Pb2 N2\n1.0\n1.892875 -3.278556 0.000000\n1.892875 3.278556 0.000000\n0.000000 0.000000 6.558980\nPb N\n2 2\ndirect\n0.666667 0.333333 0.870341 Pb\n0.333333 0.666667 0.370341 Pb\n0.666667 0.333333 0.504660 N\n0.333333 0.666667 0.004660 N\n",
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"elements": [
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"N"
],
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"density": 9.024154586219664,
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"volume": 81.40870452387546,
"volume_molar": 12.25636694330067,
"formula_full": "Pb2 N2",
"formula_reduced": "PbN",
"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:34:53.235000Z",
"spacegroup": 186
},
{
"id": "mp-1206073",
"created_at": "2022-09-04T14:40:19.082035Z",
"structure_string": "Hf2 Cu1 Si1 As2\n1.0\n5.181892 0.000000 0.000000\n0.000000 5.181892 0.000000\n0.000000 0.000000 25.586143\nHf Cu Si As\n2 1 1 2\ndirect\n0.500000 0.500000 0.227619 Hf\n0.500000 0.500000 0.772381 Hf\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.682261 As\n0.500000 0.500000 0.317739 As\n",
"nsites": 6,
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"elements": [
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"Cu",
"Si",
"As"
],
"chemical_system": "As-Cu-Hf-Si",
"density": 1.4464347340522428,
"density_atomic": 0.008733125736961524,
"volume": 687.0392320822752,
"volume_molar": 68.95744938736283,
"formula_full": "Hf2 Cu1 Si1 As2",
"formula_reduced": "Hf2CuSiAs2",
"formula_anonymous": "ABC2D2",
"energy": -20.12521956,
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"updated_at": "2021-11-28T01:34:56.182000Z",
"spacegroup": 123
},
{
"id": "mp-1181538",
"created_at": "2022-09-04T14:40:15.884334Z",
"structure_string": "Fe1 Mo6 C8 N2 O20\n1.0\n3.838517 10.296541 0.000000\n-3.838517 10.296541 0.000000\n0.000000 1.891031 8.084431\nFe Mo C N O\n1 6 8 2 20\ndirect\n0.000000 0.000000 0.000000 Fe\n0.090102 0.090102 0.581721 Mo\n0.909898 0.909898 0.418279 Mo\n0.804847 0.326413 0.295627 Mo\n0.326413 0.804847 0.295627 Mo\n0.195153 0.673587 0.704373 Mo\n0.673587 0.195153 0.704373 Mo\n0.376791 0.376791 0.158658 C\n0.623209 0.623209 0.841342 C\n0.192928 0.468100 0.244834 C\n0.468100 0.192928 0.244834 C\n0.807072 0.531900 0.755166 C\n0.531900 0.807072 0.755166 C\n0.314814 0.314814 0.374308 C\n0.685186 0.685186 0.625692 C\n0.288848 0.288848 0.185301 N\n0.711152 0.711152 0.814699 N\n0.175284 0.175284 0.509418 O\n0.824716 0.824716 0.490582 O\n0.538563 0.538563 0.311709 O\n0.461437 0.461437 0.688291 O\n0.825272 0.296114 0.548481 O\n0.296114 0.825272 0.548481 O\n0.174728 0.703886 0.451519 O\n0.703886 0.174728 0.451519 O\n0.077037 0.077037 0.804068 O\n0.922963 0.922963 0.195932 O\n0.867952 0.432295 0.228417 O\n0.432295 0.867952 0.228417 O\n0.132048 0.567705 0.771583 O\n0.567705 0.132048 0.771583 O\n0.057420 0.057420 0.358859 O\n0.942580 0.942580 0.641141 O\n0.848156 0.232356 0.112282 O\n0.232356 0.848156 0.112282 O\n0.151844 0.767644 0.887718 O\n0.767644 0.151844 0.887718 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
"Fe",
"Mo",
"C",
"N",
"O"
],
"chemical_system": "C-Fe-Mo-N-O",
"density": 2.794823005196028,
"density_atomic": 0.05789851809721183,
"volume": 639.0491711355523,
"volume_molar": 10.40120016524223,
"formula_full": "Fe1 Mo6 C8 N2 O20",
"formula_reduced": "FeMo6C8(NO10)2",
"formula_anonymous": "AB2C6D8E20",
"energy": -285.31043615,
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"updated_at": "2021-11-28T01:34:48.432000Z",
"spacegroup": 12
},
{
"id": "mp-627355",
"created_at": "2022-09-04T14:40:15.894882Z",
"structure_string": "Ce8 Ge8 Pt8\n1.0\n4.501637 0.000000 0.000000\n0.000000 7.725284 0.000000\n0.000000 0.000000 14.631157\nCe Ge Pt\n8 8 8\ndirect\n0.500000 0.788848 0.253164 Ce\n0.000000 0.292504 0.500000 Ce\n0.500000 0.702907 0.500000 Ce\n0.000000 0.297093 0.000000 Ce\n0.000000 0.211152 0.246836 Ce\n0.000000 0.211152 0.753164 Ce\n0.500000 0.707496 0.000000 Ce\n0.500000 0.788848 0.746836 Ce\n0.000000 0.911656 0.404802 Ge\n0.000000 0.588929 0.149309 Ge\n0.500000 0.411071 0.649309 Ge\n0.000000 0.588929 0.850691 Ge\n0.500000 0.411071 0.350691 Ge\n0.000000 0.911656 0.595198 Ge\n0.500000 0.088344 0.904802 Ge\n0.500000 0.088344 0.095198 Ge\n0.000000 0.920777 0.890536 Pt\n0.000000 0.920777 0.109464 Pt\n0.500000 0.415642 0.148799 Pt\n0.000000 0.584358 0.648799 Pt\n0.500000 0.415642 0.851201 Pt\n0.500000 0.079223 0.609464 Pt\n0.500000 0.079223 0.390536 Pt\n0.000000 0.584358 0.351201 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Pt"
],
"chemical_system": "Ce-Ge-Pt",
"density": 10.647932912900057,
"density_atomic": 0.047168019929394324,
"volume": 508.8193236842575,
"volume_molar": 12.767423285977502,
"formula_full": "Ce8 Ge8 Pt8",
"formula_reduced": "CeGePt",
"formula_anonymous": "ABC",
"energy": -159.81698399,
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"updated_at": "2021-11-28T01:35:00.123000Z",
"spacegroup": 59
},
{
"id": "mp-781673",
"created_at": "2022-09-04T14:40:15.895978Z",
"structure_string": "Li5 Mn10 B10 O30\n1.0\n5.301455 0.000000 0.000000\n2.365041 5.273758 0.000000\n0.276657 0.253557 22.210948\nLi Mn B O\n5 10 10 30\ndirect\n0.028416 0.142864 0.813037 Li\n0.773416 0.256893 0.587257 Li\n0.226681 0.743238 0.413247 Li\n0.979882 0.853908 0.187814 Li\n0.575996 0.655683 0.988415 Li\n0.526169 0.135456 0.879979 Mn\n0.276109 0.265713 0.520545 Mn\n0.869907 0.077554 0.325459 Mn\n0.325396 0.525542 0.277117 Mn\n0.929627 0.322788 0.076488 Mn\n0.076383 0.668148 0.922656 Mn\n0.671763 0.475736 0.724982 Mn\n0.128609 0.924124 0.675216 Mn\n0.723695 0.734389 0.479768 Mn\n0.475555 0.864270 0.122389 Mn\n0.576714 0.002399 0.749545 B\n0.223446 0.397968 0.650617 B\n0.826709 0.197519 0.455809 B\n0.376223 0.401364 0.145581 B\n0.972632 0.204043 0.943928 B\n0.020693 0.801069 0.052591 B\n0.627805 0.598047 0.856350 B\n0.172077 0.803085 0.544281 B\n0.776864 0.602287 0.350046 B\n0.425632 0.994295 0.250813 B\n0.004689 0.115219 0.408075 O\n0.407793 0.068247 0.798553 O\n0.483326 0.135006 0.294761 O\n0.010009 0.314327 0.659041 O\n0.621326 0.113583 0.466439 O\n0.177635 0.290599 0.932332 O\n0.791157 0.085075 0.740686 O\n0.349644 0.226549 0.105414 O\n0.943269 0.046435 0.898335 O\n0.393943 0.332926 0.601584 O\n0.202948 0.488188 0.192923 O\n0.797238 0.286969 0.990811 O\n0.268724 0.546123 0.694707 O\n0.862816 0.349887 0.501295 O\n0.423104 0.512824 0.868290 O\n0.573126 0.497035 0.130472 O\n0.140122 0.647385 0.498693 O\n0.740403 0.447698 0.306037 O\n0.193413 0.744508 0.004097 O\n0.802961 0.513900 0.808796 O\n0.604806 0.666986 0.398242 O\n0.074106 0.923939 0.102213 O\n0.661999 0.754288 0.901443 O\n0.204127 0.924135 0.258995 O\n0.796753 0.733969 0.056702 O\n0.377462 0.888758 0.533043 O\n0.987857 0.691744 0.341741 O\n0.530498 0.854353 0.705391 O\n0.599404 0.919880 0.201876 O\n0.995458 0.885851 0.591332 O\n",
"nsites": 55,
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"elements": [
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"Mn",
"B",
"O"
],
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"density": 3.1344409161848463,
"density_atomic": 0.08856870966277686,
"volume": 620.9868045883373,
"volume_molar": 6.7993999042428745,
"formula_full": "Li5 Mn10 B10 O30",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -449.56917338,
"energy_per_atom": -8.173984970545455,
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"spacegroup": 1
},
{
"id": "mp-1651930",
"created_at": "2022-09-04T14:40:15.899206Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n3.073941 0.031554 4.986498\n-1.046875 14.428198 0.649183\n-5.890768 -0.260172 0.241291\nLi Mn Co O\n14 8 2 24\ndirect\n0.168195 0.335124 0.327670 Li\n0.169844 0.340880 0.836969 Li\n0.673522 0.827857 0.333587 Li\n0.671311 0.829699 0.836391 Li\n0.165727 0.832546 0.833473 Li\n0.164428 0.832222 0.333182 Li\n0.347926 0.171984 0.182943 Li\n0.344931 0.169369 0.678605 Li\n0.987440 0.496970 0.484038 Li\n0.988057 0.498288 0.982753 Li\n0.841337 0.673577 0.179331 Li\n0.839091 0.672763 0.677642 Li\n0.492905 0.993234 0.992144 Li\n0.486737 0.988612 0.481807 Li\n0.009393 0.993489 0.001192 Mn\n0.006286 0.993779 0.498435 Mn\n0.322184 0.673918 0.171488 Mn\n0.321800 0.674114 0.670184 Mn\n0.835311 0.165965 0.666341 Mn\n0.835669 0.165208 0.165312 Mn\n0.495919 0.499840 0.497759 Mn\n0.495571 0.501328 0.997754 Mn\n0.667606 0.334590 0.329821 Co\n0.674377 0.334773 0.833734 Co\n0.137638 0.076491 0.309435 O\n0.132758 0.075367 0.805483 O\n0.191727 0.593666 0.861946 O\n0.188435 0.594369 0.361327 O\n0.982935 0.236323 0.479553 O\n0.998814 0.245337 0.019076 O\n0.340714 0.421290 0.152248 O\n0.340079 0.417291 0.648549 O\n0.822646 0.414913 0.662088 O\n0.811899 0.415615 0.137559 O\n0.530004 0.247802 0.526163 O\n0.529094 0.244095 0.006666 O\n0.638272 0.582996 0.343126 O\n0.634423 0.583565 0.835973 O\n0.689151 0.082900 0.320143 O\n0.702356 0.089649 0.857457 O\n0.481327 0.741290 0.995004 O\n0.479593 0.741743 0.493464 O\n0.854058 0.926229 0.177709 O\n0.848613 0.928608 0.677899 O\n0.307996 0.924622 0.150623 O\n0.310014 0.926323 0.653543 O\n0.021147 0.744354 0.015639 O\n0.020741 0.745034 0.516773 O\n",
"nsites": 48,
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"elements": [
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"O"
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"density": 3.9527422807114876,
"density_atomic": 0.11001995076141581,
"volume": 436.2845071989769,
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"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
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"energy": -330.8714789,
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"updated_at": "2021-11-28T01:34:55.234000Z",
"spacegroup": 1
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{
"id": "mp-1200369",
"created_at": "2022-09-04T14:40:15.904789Z",
"structure_string": "Zn4 S4 O40\n1.0\n4.195911 3.188385 -0.505768\n4.195911 -3.188385 -0.505768\n-1.015296 0.000000 -24.205823\nZn S O\n4 4 40\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.075795 0.924205 0.250000 Zn\n0.924205 0.075795 0.750000 Zn\n0.382664 0.324170 0.385617 S\n0.675830 0.617336 0.114383 S\n0.617336 0.675830 0.614383 S\n0.324170 0.382664 0.885617 S\n0.094506 0.374153 0.378269 O\n0.625847 0.905494 0.121731 O\n0.905494 0.625847 0.621731 O\n0.374153 0.094506 0.878269 O\n0.507920 0.431638 0.337733 O\n0.568362 0.492080 0.162267 O\n0.492080 0.568362 0.662267 O\n0.431638 0.507920 0.837733 O\n0.415801 0.449954 0.438920 O\n0.550046 0.584199 0.061080 O\n0.584199 0.550046 0.561080 O\n0.449954 0.415801 0.938920 O\n0.510816 0.035911 0.394030 O\n0.964089 0.489184 0.105970 O\n0.489184 0.964089 0.605970 O\n0.035911 0.510816 0.894030 O\n0.870328 0.399417 0.462292 O\n0.600583 0.129672 0.037708 O\n0.129672 0.600583 0.537708 O\n0.399417 0.870328 0.962292 O\n0.152614 0.873103 0.427316 O\n0.126897 0.847386 0.072684 O\n0.847386 0.126897 0.572684 O\n0.873103 0.152614 0.927316 O\n0.739332 0.799084 0.483464 O\n0.200916 0.260668 0.016536 O\n0.260668 0.200916 0.516536 O\n0.799084 0.739332 0.983464 O\n0.676719 0.028457 0.225867 O\n0.971543 0.323281 0.274133 O\n0.323281 0.971543 0.774133 O\n0.028457 0.676719 0.725867 O\n0.085547 0.575167 0.216832 O\n0.424833 0.914453 0.283168 O\n0.914453 0.424833 0.783168 O\n0.575167 0.085547 0.716832 O\n0.869438 0.745837 0.301306 O\n0.254163 0.130562 0.198694 O\n0.130562 0.254163 0.698694 O\n0.745837 0.869438 0.801306 O\n",
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{
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{
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{
"id": "mp-1203019",
"created_at": "2022-09-04T14:40:15.914471Z",
"structure_string": "Ca6 Mn1 Si6 Pb2 S2 O32\n1.0\n6.405176 4.099848 -1.750244\n6.405176 -4.099848 -1.750244\n-0.271473 0.000000 -13.004132\nCa Mn Si Pb S O\n6 1 6 2 2 32\ndirect\n0.445390 0.445390 0.231747 Ca\n0.554610 0.554610 0.768253 Ca\n0.931246 0.466123 0.323818 Ca\n0.466123 0.931246 0.323818 Ca\n0.068754 0.533877 0.676182 Ca\n0.533877 0.068754 0.676182 Ca\n0.500000 0.500000 0.500000 Mn\n0.238673 0.238673 0.485006 Si\n0.761327 0.761327 0.514994 Si\n0.114631 0.761939 0.372230 Si\n0.761939 0.114631 0.372230 Si\n0.885369 0.238061 0.627770 Si\n0.238061 0.885369 0.627770 Si\n0.892552 0.892552 0.130429 Pb\n0.107448 0.107448 0.869571 Pb\n0.232761 0.232761 0.108458 S\n0.767239 0.767239 0.891542 S\n0.275071 0.275071 0.358126 O\n0.724929 0.724929 0.641874 O\n0.674355 0.674355 0.447291 O\n0.325645 0.325645 0.552709 O\n0.001188 0.682153 0.480130 O\n0.682153 0.001188 0.480130 O\n0.998812 0.317847 0.519870 O\n0.317847 0.998812 0.519870 O\n0.097714 0.684160 0.269952 O\n0.684160 0.097714 0.269952 O\n0.902286 0.315840 0.730048 O\n0.315840 0.902286 0.730048 O\n0.679867 0.342887 0.385816 O\n0.342887 0.679867 0.385816 O\n0.320133 0.657113 0.614184 O\n0.657113 0.320133 0.614184 O\n0.002398 0.002398 0.362683 O\n0.997602 0.997602 0.637317 O\n0.219560 0.219560 0.000320 O\n0.780440 0.780440 0.999680 O\n0.345248 0.345248 0.108368 O\n0.654752 0.654752 0.891632 O\n0.034732 0.331869 0.167461 O\n0.331869 0.034732 0.167461 O\n0.965268 0.668131 0.832539 O\n0.668131 0.965268 0.832539 O\n0.729669 0.729669 0.224809 O\n0.270331 0.270331 0.775191 O\n0.736970 0.360893 0.098997 O\n0.360893 0.736970 0.098997 O\n0.263030 0.639107 0.901003 O\n0.639107 0.263030 0.901003 O\n",
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{
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}