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{
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"results": [
{
"id": "mp-559227",
"created_at": "2022-09-04T14:47:11.009049Z",
"structure_string": "Rb4 Ge4 Bi4 S16\n1.0\n6.959456 0.000000 0.000000\n0.000000 6.719370 0.000000\n0.000000 5.714580 17.374903\nRb Ge Bi S\n4 4 4 16\ndirect\n0.756946 0.286967 0.465097 Rb\n0.256946 0.713033 0.034903 Rb\n0.243054 0.713033 0.534903 Rb\n0.743054 0.286967 0.965097 Rb\n0.229652 0.205065 0.341021 Ge\n0.729652 0.794935 0.158979 Ge\n0.770348 0.794935 0.658979 Ge\n0.270348 0.205065 0.841021 Ge\n0.811180 0.238545 0.221821 Bi\n0.688820 0.238545 0.721821 Bi\n0.311180 0.761455 0.278179 Bi\n0.188820 0.761455 0.778179 Bi\n0.516601 0.986371 0.865628 S\n0.761022 0.583467 0.087455 S\n0.010322 0.001122 0.853530 S\n0.489678 0.001122 0.353530 S\n0.989678 0.998878 0.146470 S\n0.330656 0.409784 0.719125 S\n0.238978 0.416533 0.912545 S\n0.983399 0.986371 0.365628 S\n0.261022 0.416533 0.412545 S\n0.016601 0.013629 0.634372 S\n0.738978 0.583467 0.587455 S\n0.669344 0.590216 0.280875 S\n0.510322 0.998878 0.646470 S\n0.830656 0.590216 0.780875 S\n0.169344 0.409784 0.219125 S\n0.483399 0.013629 0.134372 S\n",
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"S"
],
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"volume": 812.5053665882533,
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"formula_full": "Rb4 Ge4 Bi4 S16",
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"formula_anonymous": "ABCD4",
"energy": -129.98031031,
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"spacegroup": 14
},
{
"id": "mp-1021692",
"created_at": "2022-09-04T14:47:11.010886Z",
"structure_string": "La2 Mg12 V2\n1.0\n5.124935 0.000000 0.000000\n0.000000 6.657126 0.000000\n0.000000 0.000000 11.445805\nLa Mg V\n2 12 2\ndirect\n0.500000 0.500000 0.174769 La\n0.500000 0.000000 0.674769 La\n0.000000 0.239832 0.078679 Mg\n0.000000 0.760168 0.078679 Mg\n0.000000 0.500000 0.833807 Mg\n0.500000 0.240956 0.919061 Mg\n0.500000 0.759044 0.919061 Mg\n0.500000 0.500000 0.661610 Mg\n0.000000 0.739832 0.578679 Mg\n0.000000 0.260168 0.578679 Mg\n0.000000 0.000000 0.333807 Mg\n0.500000 0.740956 0.419061 Mg\n0.500000 0.259044 0.419061 Mg\n0.500000 0.000000 0.161610 Mg\n0.000000 0.500000 0.334335 V\n0.000000 0.000000 0.834335 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"V"
],
"chemical_system": "La-Mg-V",
"density": 2.8548228113777046,
"density_atomic": 0.04097306960538093,
"volume": 390.50039828841005,
"volume_molar": 14.697802283305428,
"formula_full": "La2 Mg12 V2",
"formula_reduced": "LaMg6V",
"formula_anonymous": "ABC6",
"energy": -44.1821115,
"energy_per_atom": -2.76138196875,
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"updated_at": "2021-11-28T01:37:58.144000Z",
"spacegroup": 38
},
{
"id": "mp-1225837",
"created_at": "2022-09-04T14:47:11.019154Z",
"structure_string": "Cu8 Pt2 O10\n1.0\n5.188982 0.000000 0.000000\n0.000000 4.237821 0.000000\n0.000000 1.908493 10.601182\nCu Pt O\n8 2 10\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.103488 0.804338 Cu\n0.500000 0.704827 0.602369 Cu\n0.500000 0.295173 0.397631 Cu\n0.500000 0.896512 0.195662 Cu\n0.000000 0.582852 0.801007 Cu\n0.000000 0.417148 0.198993 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.194101 0.604465 Pt\n0.000000 0.805899 0.395535 Pt\n0.748832 0.297017 0.903303 O\n0.745443 0.892434 0.707473 O\n0.743376 0.500000 0.500000 O\n0.745443 0.107566 0.292527 O\n0.748832 0.702983 0.096697 O\n0.251168 0.297017 0.903303 O\n0.254557 0.892434 0.707473 O\n0.256624 0.500000 0.500000 O\n0.254557 0.107566 0.292527 O\n0.251168 0.702983 0.096697 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cu-O-Pt",
"density": 7.540032277499923,
"density_atomic": 0.08579281782422728,
"volume": 233.1197471678351,
"volume_molar": 7.019399656901571,
"formula_full": "Cu8 Pt2 O10",
"formula_reduced": "Cu4PtO5",
"formula_anonymous": "AB4C5",
"energy": -112.32566202,
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"updated_at": "2021-11-28T01:37:58.083000Z",
"spacegroup": 10
},
{
"id": "mp-1406221",
"created_at": "2022-09-04T14:47:11.025531Z",
"structure_string": "Mg6 Si8\n1.0\n5.647669 0.000000 0.000000\n-1.533176 6.582766 0.000000\n-1.650569 -3.541636 6.834509\nMg Si\n6 8\ndirect\n0.065656 0.411525 0.524307 Mg\n0.567554 0.248030 0.437614 Mg\n0.502937 0.839801 0.809300 Mg\n0.399013 0.239685 0.905071 Mg\n0.036171 0.033400 0.389309 Mg\n0.910718 0.758668 0.158001 Mg\n0.898916 0.626305 0.806931 Si\n0.835823 0.166278 0.967153 Si\n0.031986 0.408294 0.100077 Si\n0.458080 0.495756 0.138953 Si\n0.086769 0.025358 0.748455 Si\n0.364593 0.789920 0.515342 Si\n0.675271 0.609714 0.566283 Si\n0.420042 0.846995 0.179927 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.421412318194495,
"density_atomic": 0.05509891705168004,
"volume": 254.0884784880381,
"volume_molar": 10.929689878208555,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -21.47299838,
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"updated_at": "2021-11-28T01:37:59.969000Z",
"spacegroup": 1
},
{
"id": "mp-557748",
"created_at": "2022-09-04T14:47:11.004257Z",
"structure_string": "Sb8 Ir8 C16 O16 F48\n1.0\n13.233113 0.000000 0.000000\n0.000000 13.233113 0.000000\n0.000000 0.000000 9.738983\nSb Ir C O F\n8 8 16 16 48\ndirect\n0.947322 0.700567 0.397793 Sb\n0.552678 0.200567 0.897793 Sb\n0.700567 0.052678 0.602207 Sb\n0.200567 0.447322 0.102207 Sb\n0.447322 0.799433 0.897793 Sb\n0.299433 0.947322 0.602207 Sb\n0.052678 0.299433 0.397793 Sb\n0.799433 0.552678 0.102207 Sb\n0.085071 0.085431 0.073654 Ir\n0.914929 0.914569 0.073654 Ir\n0.585431 0.585071 0.426346 Ir\n0.585071 0.414569 0.573654 Ir\n0.414929 0.585431 0.573654 Ir\n0.414569 0.414929 0.426346 Ir\n0.914569 0.085071 0.926346 Ir\n0.085431 0.914929 0.926346 Ir\n0.066765 0.789276 0.835371 C\n0.433235 0.289276 0.335371 C\n0.657023 0.649803 0.563263 C\n0.210724 0.066765 0.164629 C\n0.566765 0.710724 0.335371 C\n0.933235 0.210724 0.835371 C\n0.350197 0.657023 0.436737 C\n0.157023 0.850197 0.063263 C\n0.842977 0.149803 0.063263 C\n0.649803 0.342977 0.436737 C\n0.789276 0.933235 0.164629 C\n0.289276 0.566765 0.664629 C\n0.149803 0.157023 0.936737 C\n0.850197 0.842977 0.936737 C\n0.710724 0.433235 0.664629 C\n0.342977 0.350197 0.563263 C\n0.700672 0.688135 0.651506 O\n0.555348 0.789661 0.288374 O\n0.311865 0.700672 0.348494 O\n0.789661 0.444652 0.711626 O\n0.944652 0.289661 0.788374 O\n0.299328 0.311865 0.651506 O\n0.289661 0.055348 0.211626 O\n0.188135 0.200672 0.848494 O\n0.444652 0.210339 0.288374 O\n0.710339 0.944652 0.211626 O\n0.688135 0.299328 0.348494 O\n0.210339 0.555348 0.711626 O\n0.055348 0.710339 0.788374 O\n0.811865 0.799328 0.848494 O\n0.200672 0.811865 0.151506 O\n0.799328 0.188135 0.151506 O\n0.405817 0.905817 0.750000 F\n0.400634 0.894742 0.028474 F\n0.987068 0.801795 0.523746 F\n0.000000 0.000000 0.786976 F\n0.017785 0.219100 0.237733 F\n0.280900 0.482215 0.262267 F\n0.500000 0.500000 0.286976 F\n0.982215 0.780900 0.237733 F\n0.076289 0.639179 0.391640 F\n0.394742 0.900634 0.471526 F\n0.752890 0.186375 0.618354 F\n0.639179 0.923711 0.608360 F\n0.247110 0.813625 0.618354 F\n0.594183 0.094183 0.750000 F\n0.813625 0.752890 0.381646 F\n0.860821 0.423711 0.108360 F\n0.780900 0.017785 0.762267 F\n0.905817 0.594183 0.250000 F\n0.094183 0.405817 0.250000 F\n0.198205 0.987068 0.476254 F\n0.487068 0.698205 0.023746 F\n0.605258 0.099366 0.471526 F\n0.186375 0.247110 0.381646 F\n0.360821 0.076289 0.608360 F\n0.000000 0.000000 0.213024 F\n0.219100 0.982215 0.762267 F\n0.139179 0.576289 0.108360 F\n0.698205 0.512932 0.976254 F\n0.301795 0.487068 0.976254 F\n0.252890 0.313625 0.118354 F\n0.894742 0.599366 0.971526 F\n0.105258 0.400634 0.971526 F\n0.099366 0.394742 0.528474 F\n0.801795 0.012932 0.476254 F\n0.423711 0.139179 0.891640 F\n0.599366 0.105258 0.028474 F\n0.512932 0.301795 0.023746 F\n0.576289 0.860821 0.891640 F\n0.686375 0.252890 0.881646 F\n0.313625 0.747110 0.881646 F\n0.482215 0.719100 0.737733 F\n0.719100 0.517785 0.262267 F\n0.012932 0.198205 0.523746 F\n0.517785 0.280900 0.737733 F\n0.747110 0.686375 0.118354 F\n0.500000 0.500000 0.713024 F\n0.900634 0.605258 0.528474 F\n0.923711 0.360821 0.391640 F\n",
"nsites": 96,
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"elements": [
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"Ir",
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"O",
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],
"chemical_system": "C-F-Ir-O-Sb",
"density": 3.769950837894706,
"density_atomic": 0.05629030258944506,
"volume": 1705.4447317538645,
"volume_molar": 10.698362742731472,
"formula_full": "Sb8 Ir8 C16 O16 F48",
"formula_reduced": "SbIrC2(OF3)2",
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"energy": -607.77936489,
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"updated_at": "2021-11-28T01:38:00.253000Z",
"spacegroup": 118
},
{
"id": "mp-1203936",
"created_at": "2022-09-04T14:47:11.015862Z",
"structure_string": "Er2 C16 N8 Cl14\n1.0\n8.491424 0.000000 0.000000\n0.000000 8.946294 0.000000\n0.000000 0.000000 13.852231\nEr C N Cl\n2 16 8 14\ndirect\n0.361677 0.500000 0.500000 Er\n0.638323 0.000000 0.000000 Er\n0.118612 0.269299 0.675941 C\n0.118612 0.730701 0.324059 C\n0.881388 0.230701 0.175941 C\n0.881388 0.769299 0.824059 C\n0.944162 0.214235 0.535423 C\n0.944162 0.785765 0.464577 C\n0.055838 0.285765 0.035423 C\n0.055838 0.714235 0.964577 C\n0.381458 0.676732 0.156078 C\n0.381458 0.323268 0.843922 C\n0.618542 0.823268 0.656078 C\n0.618542 0.176732 0.343922 C\n0.657293 0.579154 0.172888 C\n0.657293 0.420846 0.827112 C\n0.342707 0.920846 0.672888 C\n0.342707 0.079154 0.327112 C\n0.042435 0.228401 0.604132 N\n0.042435 0.771599 0.395868 N\n0.957565 0.271599 0.104132 N\n0.957565 0.728401 0.895868 N\n0.532534 0.639024 0.157435 N\n0.532534 0.360976 0.842565 N\n0.467466 0.860976 0.657435 N\n0.467466 0.139024 0.342565 N\n0.399361 0.268251 0.609533 Cl\n0.399361 0.731749 0.390467 Cl\n0.600639 0.231749 0.109533 Cl\n0.600639 0.768251 0.890467 Cl\n0.644160 0.361982 0.382603 Cl\n0.644160 0.638018 0.617397 Cl\n0.355840 0.138018 0.882603 Cl\n0.355840 0.861982 0.117397 Cl\n0.169531 0.382567 0.391251 Cl\n0.169531 0.617433 0.608749 Cl\n0.830469 0.117433 0.891251 Cl\n0.830469 0.882567 0.108749 Cl\n0.908936 0.000000 0.500000 Cl\n0.091064 0.500000 0.000000 Cl\n",
"nsites": 40,
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"elements": [
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],
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"formula_full": "Er2 C16 N8 Cl14",
"formula_reduced": "ErC8N4Cl7",
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"energy": -233.72947909,
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"updated_at": "2021-11-28T01:37:52.844000Z",
"spacegroup": 18
},
{
"id": "mp-1219232",
"created_at": "2022-09-04T14:47:11.025307Z",
"structure_string": "Sm2 Cr2 Fe15 C2\n1.0\n4.314729 4.841957 0.000000\n-4.314729 4.841957 0.000000\n0.000000 0.985752 6.423366\nSm Cr Fe C\n2 2 15 2\ndirect\n0.350960 0.350960 0.335486 Sm\n0.649040 0.649040 0.664514 Sm\n0.086011 0.086011 0.086807 Cr\n0.913989 0.913989 0.913193 Cr\n0.717810 0.282190 0.000000 Fe\n0.284945 0.003010 0.712423 Fe\n0.996990 0.715055 0.287577 Fe\n0.715055 0.996990 0.287577 Fe\n0.003010 0.284945 0.712423 Fe\n0.282190 0.717810 0.000000 Fe\n0.144602 0.657092 0.661289 Fe\n0.656963 0.656963 0.143464 Fe\n0.657092 0.144602 0.661289 Fe\n0.855398 0.342908 0.338711 Fe\n0.343037 0.343037 0.856536 Fe\n0.342908 0.855398 0.338711 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
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"density": 7.8353036594281,
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"volume": 268.39048567668476,
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{
"id": "mp-1173770",
"created_at": "2022-09-04T14:47:11.055063Z",
"structure_string": "Na4 Ca8 Si4 O16 F4\n1.0\n7.786283 0.380574 0.063535\n0.327220 9.321369 -0.555716\n0.058311 -0.561375 7.342358\nNa Ca Si O F\n4 8 4 16 4\ndirect\n0.180668 0.461274 0.403618 Na\n0.974132 0.018408 0.566555 Na\n0.446159 0.529324 0.091528 Na\n0.958704 0.937776 0.030711 Na\n0.971641 0.535003 0.085815 Ca\n0.501629 0.433682 0.681175 Ca\n0.566543 0.937668 0.002390 Ca\n0.695149 0.270714 0.239286 Ca\n0.277479 0.814017 0.748092 Ca\n0.441218 0.082514 0.533004 Ca\n0.800597 0.662411 0.683935 Ca\n0.260781 0.159353 0.068221 Ca\n0.697471 0.743061 0.286288 Si\n0.785604 0.239495 0.830824 Si\n0.270846 0.805078 0.263622 Si\n0.138376 0.356055 0.762025 Si\n0.695025 0.223346 0.627809 O\n0.001017 0.230655 0.787758 O\n0.766755 0.109181 0.954597 O\n0.713855 0.395052 0.953318 O\n0.495496 0.116018 0.234196 O\n0.783047 0.603115 0.367141 O\n0.491043 0.759839 0.249098 O\n0.796278 0.768543 0.100366 O\n0.250971 0.380919 0.949199 O\n0.382799 0.026229 0.813356 O\n0.026748 0.511026 0.746315 O\n0.521750 0.669853 0.769100 O\n0.267870 0.301049 0.588323 O\n0.232953 0.895875 0.090562 O\n0.185137 0.651144 0.239447 O\n0.236054 0.903963 0.462070 O\n0.976191 0.838765 0.742028 F\n0.487136 0.436983 0.368429 F\n0.720941 0.883718 0.452997 F\n0.001935 0.308896 0.226801 F\n",
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