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{
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"results": [
{
"id": "mp-1220674",
"created_at": "2022-09-04T14:45:08.396676Z",
"structure_string": "Nb6 Cu4 Se12\n1.0\n-1.765310 -3.065838 0.000000\n-8.824658 3.064729 0.000000\n0.000000 0.000000 -13.878805\nNb Cu Se\n6 4 12\ndirect\n0.444577 0.109924 0.249242 Nb\n0.774949 0.448164 0.250161 Nb\n0.110297 0.777649 0.250483 Nb\n0.888756 0.223409 0.749242 Nb\n0.223037 0.555685 0.750483 Nb\n0.558384 0.885169 0.750161 Nb\n0.445295 0.108819 0.039606 Cu\n0.221114 0.558242 0.960383 Cu\n0.888038 0.224514 0.539606 Cu\n0.112220 0.775092 0.460383 Cu\n0.447886 0.103181 0.629536 Se\n0.773310 0.452330 0.628736 Se\n0.111225 0.777025 0.630378 Se\n0.889085 0.223090 0.368752 Se\n0.226195 0.548664 0.371316 Se\n0.552138 0.896763 0.371407 Se\n0.885447 0.230152 0.129536 Se\n0.222109 0.556309 0.130378 Se\n0.560023 0.881003 0.128736 Se\n0.444248 0.110243 0.868752 Se\n0.781195 0.436570 0.871407 Se\n0.107139 0.784670 0.871316 Se\n",
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{
"id": "mp-685099",
"created_at": "2022-09-04T14:45:08.397207Z",
"structure_string": "Ir7 Se21\n1.0\n6.009590 0.000000 0.000000\n0.029568 6.057034 0.000000\n0.030922 0.624597 17.965554\nIr Se\n7 21\ndirect\n0.000079 0.517750 0.164082 Ir\n0.495220 0.502092 0.330096 Ir\n0.987268 0.491898 0.497491 Ir\n0.492708 0.510108 0.665456 Ir\n0.016972 0.516270 0.829823 Ir\n0.490448 0.529057 0.995295 Ir\n0.994794 0.002712 0.330576 Ir\n0.884490 0.125074 0.198347 Se\n0.612599 0.111389 0.371985 Se\n0.860463 0.111420 0.533991 Se\n0.382324 0.391655 0.202118 Se\n0.372740 0.394531 0.543351 Se\n0.117946 0.402495 0.039072 Se\n0.362780 0.353611 0.884412 Se\n0.116428 0.376134 0.370935 Se\n0.124494 0.380042 0.707740 Se\n0.874072 0.628968 0.290210 Se\n0.873306 0.614034 0.622963 Se\n0.616433 0.630274 0.120444 Se\n0.874472 0.629002 0.954795 Se\n0.607476 0.616538 0.457047 Se\n0.642530 0.505621 0.791120 Se\n0.122456 0.898101 0.125490 Se\n0.375355 0.892451 0.287687 Se\n0.104562 0.884184 0.462939 Se\n0.369668 0.885210 0.690009 Se\n0.196035 0.867449 0.815139 Se\n0.412182 0.895432 0.937453 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ir-Se",
"density": 7.627059714286827,
"density_atomic": 0.04281663791658623,
"volume": 653.9513927868076,
"volume_molar": 14.064954777000729,
"formula_full": "Ir7 Se21",
"formula_reduced": "IrSe3",
"formula_anonymous": "AB3",
"energy": -149.88624811,
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"updated_at": "2021-11-28T01:36:46.577000Z",
"spacegroup": 1
},
{
"id": "mp-554344",
"created_at": "2022-09-04T14:45:08.406984Z",
"structure_string": "Li6 Al2 B4 O12\n1.0\n-5.254461 0.000000 0.000000\n-0.075832 -6.818902 0.000000\n0.346282 2.555134 7.720575\nLi Al B O\n6 2 4 12\ndirect\n0.969343 0.712610 0.218255 Li\n0.247520 0.387265 0.254435 Li\n0.308463 0.592881 0.614754 Li\n0.030657 0.287390 0.781745 Li\n0.691537 0.407119 0.385246 Li\n0.752480 0.612735 0.745565 Li\n0.423038 0.003853 0.229336 Al\n0.576962 0.996147 0.770664 Al\n0.586050 0.773709 0.431131 B\n0.413950 0.226291 0.568869 B\n0.760823 0.263069 0.082462 B\n0.239177 0.736931 0.917538 B\n0.270361 0.174931 0.410753 O\n0.605359 0.367353 0.601962 O\n0.394641 0.632647 0.398038 O\n0.729639 0.825069 0.589247 O\n0.806054 0.165469 0.909089 O\n0.546465 0.198215 0.151750 O\n0.906346 0.418547 0.188981 O\n0.093654 0.581453 0.811019 O\n0.658182 0.866628 0.308420 O\n0.341818 0.133372 0.691580 O\n0.193946 0.834531 0.090911 O\n0.453535 0.801785 0.848250 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-B-Li-O",
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"density_atomic": 0.08675988619959739,
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"formula_full": "Li6 Al2 B4 O12",
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"energy": -171.38504668,
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"spacegroup": 2
},
{
"id": "mp-1189371",
"created_at": "2022-09-04T14:45:10.915477Z",
"structure_string": "V8 B8 Ir4\n1.0\n0.000000 0.000000 -3.072419\n0.000000 -7.212604 0.000000\n-9.293413 0.000000 0.000000\nV B Ir\n8 8 4\ndirect\n0.500000 0.812759 0.133042 V\n0.500000 0.187241 0.866958 V\n0.000000 0.687241 0.633042 V\n0.000000 0.312759 0.366958 V\n0.500000 0.574185 0.860848 V\n0.500000 0.425815 0.139152 V\n0.000000 0.925815 0.360848 V\n0.000000 0.074185 0.639152 V\n0.500000 0.113603 0.459993 B\n0.500000 0.886397 0.540007 B\n0.000000 0.386397 0.959993 B\n0.000000 0.613603 0.040007 B\n0.500000 0.122298 0.268609 B\n0.500000 0.877702 0.731391 B\n0.000000 0.377702 0.768609 B\n0.000000 0.622298 0.231391 B\n0.500000 0.626698 0.395651 Ir\n0.500000 0.373302 0.604349 Ir\n0.000000 0.873302 0.895651 Ir\n0.000000 0.126698 0.104349 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"B",
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],
"chemical_system": "B-Ir-V",
"density": 10.182775427099346,
"density_atomic": 0.09711408607992632,
"volume": 205.94334773989127,
"volume_molar": 6.201099143376265,
"formula_full": "V8 B8 Ir4",
"formula_reduced": "V2B2Ir",
"formula_anonymous": "AB2C2",
"energy": -175.42697491,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:52.938000Z",
"spacegroup": 58
},
{
"id": "mp-1205433",
"created_at": "2022-09-04T14:45:13.972399Z",
"structure_string": "Dy2 In8 Pt8\n1.0\n2.307706 -3.997064 0.000000\n2.307706 3.997064 0.000000\n0.000000 0.000000 20.245452\nDy In Pt\n2 8 8\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.750000 Dy\n0.333333 0.666667 0.958459 In\n0.666667 0.333333 0.041541 In\n0.666667 0.333333 0.458459 In\n0.333333 0.666667 0.541541 In\n0.000000 0.000000 0.357659 In\n0.000000 0.000000 0.642341 In\n0.000000 0.000000 0.857659 In\n0.000000 0.000000 0.142341 In\n0.333333 0.666667 0.405129 Pt\n0.666667 0.333333 0.594871 Pt\n0.666667 0.333333 0.905129 Pt\n0.333333 0.666667 0.094871 Pt\n0.333333 0.666667 0.819202 Pt\n0.666667 0.333333 0.180798 Pt\n0.666667 0.333333 0.319202 Pt\n0.333333 0.666667 0.680798 Pt\n",
"nsites": 18,
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"elements": [
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"In",
"Pt"
],
"chemical_system": "Dy-In-Pt",
"density": 12.467561124637166,
"density_atomic": 0.048194052988196276,
"volume": 373.4900653491121,
"volume_molar": 12.4956096999664,
"formula_full": "Dy2 In8 Pt8",
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"formula_anonymous": "AB4C4",
"energy": -92.31127446,
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"updated_at": "2021-11-28T01:36:56.984000Z",
"spacegroup": 194
},
{
"id": "mp-1184245",
"created_at": "2022-09-04T14:45:13.664354Z",
"structure_string": "Er1 Tm1 Tl2\n1.0\n0.000000 3.764941 3.764941\n3.764941 0.000000 3.764941\n3.764941 3.764941 0.000000\nEr Tm Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"Tm",
"Tl"
],
"chemical_system": "Er-Tl-Tm",
"density": 11.589839477721283,
"density_atomic": 0.037476193377337944,
"volume": 106.73442629898537,
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"formula_full": "Er1 Tm1 Tl2",
"formula_reduced": "ErTmTl2",
"formula_anonymous": "ABC2",
"energy": -14.97211434,
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"updated_at": "2021-11-28T01:36:54.912000Z",
"spacegroup": 225
},
{
"id": "mp-1072994",
"created_at": "2022-09-04T14:45:08.428652Z",
"structure_string": "Mg8 Si12\n1.0\n4.488335 0.000000 0.000000\n2.030271 4.868639 0.000000\n0.917305 0.460138 16.542198\nMg Si\n8 12\ndirect\n0.906929 0.227114 0.699890 Mg\n0.093071 0.772886 0.300110 Mg\n0.581870 0.821858 0.596629 Mg\n0.418130 0.178142 0.403371 Mg\n0.411190 0.215011 0.199702 Mg\n0.588810 0.784989 0.800298 Mg\n0.085489 0.812686 0.097611 Mg\n0.914511 0.187314 0.902389 Mg\n0.875559 0.232403 0.525767 Si\n0.705344 0.604277 0.424037 Si\n0.294656 0.395723 0.575963 Si\n0.124441 0.767597 0.474233 Si\n0.637687 0.656057 0.194810 Si\n0.362313 0.343943 0.805190 Si\n0.374739 0.234543 0.024270 Si\n0.625261 0.765457 0.975730 Si\n0.799200 0.384017 0.075824 Si\n0.200800 0.615983 0.924176 Si\n0.132187 0.668928 0.694624 Si\n0.867813 0.331072 0.305376 Si\n",
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"formula_full": "Mg8 Si12",
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{
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"created_at": "2022-09-04T14:45:11.446774Z",
"structure_string": "Ge2 Sb6\n1.0\n3.349965 -5.802309 0.000000\n3.349965 5.802309 0.000000\n0.000000 0.000000 5.287048\nGe Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n0.173972 0.347944 0.250000 Sb\n0.652056 0.826028 0.250000 Sb\n0.173972 0.826028 0.250000 Sb\n0.826028 0.652056 0.750000 Sb\n0.347944 0.173972 0.750000 Sb\n0.826028 0.173972 0.750000 Sb\n",
"nsites": 8,
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"density": 7.07602732528748,
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"formula_full": "Ge2 Sb6",
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"updated_at": "2021-11-28T01:36:49.640000Z",
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{
"id": "mp-1025578",
"created_at": "2022-09-04T14:45:08.443447Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n1.674049 -2.899538 0.000000\n1.674049 2.899538 0.000000\n0.000000 0.000000 31.022729\nTe W Se S\n2 3 2 2\ndirect\n0.333333 0.666667 0.516974 Te\n0.333333 0.666667 0.639710 Te\n0.000000 0.000000 0.115659 W\n0.000000 0.000000 0.578371 W\n0.333333 0.666667 0.346949 W\n0.000000 0.000000 0.400796 Se\n0.000000 0.000000 0.293071 Se\n0.333333 0.666667 0.066623 S\n0.333333 0.666667 0.164689 S\n",
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"formula_full": "Te2 W3 Se2 S2",
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{
"id": "mp-557633",
"created_at": "2022-09-04T14:45:08.453202Z",
"structure_string": "Sn16 W8 O40\n1.0\n14.106635 0.000000 0.000000\n0.000000 8.217192 0.000000\n0.000000 4.368186 9.972737\nSn W O\n16 8 40\ndirect\n0.102816 0.912289 0.270558 Sn\n0.897184 0.087711 0.729442 Sn\n0.843772 0.552685 0.383244 Sn\n0.652195 0.232773 0.546314 Sn\n0.656228 0.552685 0.883244 Sn\n0.600159 0.694803 0.196819 Sn\n0.399841 0.305197 0.803181 Sn\n0.347805 0.767227 0.453686 Sn\n0.397184 0.912289 0.770558 Sn\n0.847805 0.232773 0.046314 Sn\n0.602816 0.087711 0.229442 Sn\n0.156228 0.447315 0.616756 Sn\n0.152195 0.767227 0.953686 Sn\n0.899841 0.694803 0.696819 Sn\n0.100159 0.305197 0.303181 Sn\n0.343772 0.447315 0.116756 Sn\n0.170794 0.276569 0.969798 W\n0.829206 0.723431 0.030202 W\n0.670794 0.723431 0.530202 W\n0.329206 0.276569 0.469798 W\n0.176453 0.941181 0.601377 W\n0.823547 0.058819 0.398623 W\n0.676453 0.058819 0.898623 W\n0.323547 0.941181 0.101377 W\n0.384379 0.193473 0.653907 O\n0.183756 0.194681 0.562063 O\n0.217185 0.730982 0.578093 O\n0.743696 0.122278 0.724984 O\n0.756304 0.122278 0.224984 O\n0.820064 0.979567 0.984754 O\n0.121874 0.024455 0.419304 O\n0.259573 0.336163 0.298839 O\n0.884379 0.806527 0.846093 O\n0.621874 0.975545 0.080696 O\n0.740427 0.663837 0.701161 O\n0.256304 0.877722 0.275016 O\n0.243696 0.877722 0.775016 O\n0.378126 0.024455 0.919304 O\n0.717185 0.269018 0.921907 O\n0.615621 0.806527 0.346093 O\n0.287532 0.485351 0.495445 O\n0.566838 0.131868 0.809085 O\n0.933162 0.131868 0.309085 O\n0.937623 0.654311 0.118276 O\n0.816244 0.805319 0.437937 O\n0.320064 0.020433 0.515246 O\n0.066838 0.868132 0.690915 O\n0.212468 0.485351 0.995445 O\n0.878126 0.975545 0.580696 O\n0.683756 0.805319 0.937937 O\n0.437623 0.345689 0.381724 O\n0.679936 0.979567 0.484754 O\n0.712468 0.514649 0.504555 O\n0.282815 0.730982 0.078093 O\n0.316244 0.194681 0.062063 O\n0.787532 0.514649 0.004555 O\n0.433162 0.868132 0.190915 O\n0.782815 0.269018 0.421907 O\n0.240427 0.336163 0.798839 O\n0.759573 0.663837 0.201161 O\n0.562377 0.654311 0.618276 O\n0.115621 0.193473 0.153907 O\n0.062377 0.345689 0.881724 O\n0.179936 0.020433 0.015246 O\n",
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{
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],
"chemical_system": "O-Te-Tl-V",
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},
{
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"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n0.000000 0.000000 5.108727\n9.353516 6.027826 0.000000\n-10.146265 7.021851 0.000000\nAg Sb Pb S\n2 6 2 12\ndirect\n0.337693 0.988798 0.271267 Ag\n0.662307 0.488798 0.771267 Ag\n0.748577 0.705073 0.096770 Sb\n0.805221 0.810532 0.409769 Sb\n0.386254 0.490864 0.213442 Sb\n0.613746 0.990864 0.713442 Sb\n0.194779 0.310532 0.909769 Sb\n0.251423 0.205073 0.596770 Sb\n0.836837 0.205893 0.229566 Pb\n0.163163 0.705893 0.729566 Pb\n0.322094 0.331388 0.301007 S\n0.677906 0.831388 0.801007 S\n0.135397 0.743470 0.242849 S\n0.864603 0.243470 0.742849 S\n0.311068 0.085142 0.884740 S\n0.336139 0.428898 0.616507 S\n0.663861 0.928898 0.116507 S\n0.688932 0.585142 0.384740 S\n0.884547 0.348945 0.068582 S\n0.115453 0.848945 0.568582 S\n0.997895 0.610997 0.915501 S\n0.002105 0.110997 0.415501 S\n",
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"elements": [
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],
"chemical_system": "Ag-Pb-S-Sb",
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"formula_full": "Ag2 Sb6 Pb2 S12",
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"updated_at": "2021-11-28T01:36:47.457000Z",
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}
]
}