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"results": [
{
"id": "mp-605173",
"created_at": "2022-09-04T14:48:04.520698Z",
"structure_string": "As12 H36 Rh4 C12 Br12 O12\n1.0\n9.234999 0.000000 0.000000\n0.000000 9.344933 0.000000\n0.000000 6.665418 15.949005\nAs H Rh C Br O\n12 36 4 12 12 12\ndirect\n0.856083 0.271551 0.070470 As\n0.080120 0.550199 0.119764 As\n0.715729 0.621454 0.525035 As\n0.419880 0.550199 0.619764 As\n0.215729 0.378546 0.974965 As\n0.580120 0.449801 0.380236 As\n0.784271 0.621454 0.025035 As\n0.643917 0.271551 0.570470 As\n0.919880 0.449801 0.880236 As\n0.356083 0.728449 0.429530 As\n0.284271 0.378546 0.474965 As\n0.143917 0.728449 0.929530 As\n0.737307 0.409858 0.783542 H\n0.245677 0.982992 0.410989 H\n0.584624 0.817757 0.985585 H\n0.254323 0.982992 0.910989 H\n0.602472 0.293113 0.291917 H\n0.871677 0.126741 0.630539 H\n0.897528 0.293113 0.791917 H\n0.600084 0.499210 0.228442 H\n0.784702 0.025985 0.189390 H\n0.762693 0.409858 0.283542 H\n0.976807 0.634650 0.563030 H\n0.915376 0.817757 0.485585 H\n0.262693 0.590142 0.216458 H\n0.865634 0.762506 0.594510 H\n0.715298 0.025985 0.689390 H\n0.100084 0.500790 0.271558 H\n0.397528 0.706887 0.708083 H\n0.899916 0.499210 0.728442 H\n0.102472 0.706887 0.208083 H\n0.634366 0.762506 0.094510 H\n0.476807 0.365350 0.936970 H\n0.128323 0.873259 0.369461 H\n0.134366 0.237494 0.405490 H\n0.371677 0.873259 0.869461 H\n0.023193 0.365350 0.436970 H\n0.284702 0.974015 0.310610 H\n0.237307 0.590142 0.716458 H\n0.415376 0.182243 0.014415 H\n0.084624 0.182243 0.514415 H\n0.365634 0.237494 0.905490 H\n0.628323 0.126741 0.130539 H\n0.745677 0.017008 0.089011 H\n0.523193 0.634650 0.063030 H\n0.754323 0.017008 0.589011 H\n0.399916 0.500790 0.771558 H\n0.215298 0.974015 0.810610 H\n0.599466 0.696030 0.391803 Rh\n0.900534 0.696030 0.891803 Rh\n0.400534 0.303970 0.608197 Rh\n0.099466 0.303970 0.108197 Rh\n0.643996 0.407739 0.284272 C\n0.260803 0.912364 0.873064 C\n0.739197 0.087636 0.126936 C\n0.110101 0.278540 0.455654 C\n0.389899 0.278540 0.955654 C\n0.856004 0.407739 0.784272 C\n0.610101 0.721460 0.044346 C\n0.239197 0.912364 0.373064 C\n0.889899 0.721460 0.544346 C\n0.356004 0.592261 0.715728 C\n0.760803 0.087636 0.626936 C\n0.143996 0.592261 0.215728 C\n0.641326 0.688701 0.841910 Br\n0.141326 0.311299 0.658090 Br\n0.127803 0.034595 0.104481 Br\n0.358674 0.311299 0.158090 Br\n0.858674 0.688701 0.341910 Br\n0.627803 0.965405 0.395519 Br\n0.511704 0.206807 0.755244 Br\n0.372197 0.034595 0.604481 Br\n0.872197 0.965405 0.895519 Br\n0.011704 0.793193 0.744756 Br\n0.988296 0.206807 0.255244 Br\n0.488296 0.793193 0.244756 Br\n0.729330 0.419510 0.072497 O\n0.270670 0.580490 0.927503 O\n0.102271 0.371416 0.890736 O\n0.329416 0.708390 0.537330 O\n0.770670 0.419510 0.572497 O\n0.170584 0.708390 0.037330 O\n0.670584 0.291610 0.462670 O\n0.397729 0.371416 0.390736 O\n0.897729 0.628584 0.109264 O\n0.602271 0.628584 0.609264 O\n0.829416 0.291610 0.962670 O\n0.229330 0.580490 0.427503 O\n",
"nsites": 88,
"nelements": 6,
"elements": [
"As",
"H",
"Rh",
"C",
"Br",
"O"
],
"chemical_system": "As-Br-C-H-O-Rh",
"density": 3.1873135627196327,
"density_atomic": 0.06393461189766397,
"volume": 1376.406259270893,
"volume_molar": 9.419218450311789,
"formula_full": "As12 H36 Rh4 C12 Br12 O12",
"formula_reduced": "As3H9RhC3(BrO)3",
"formula_anonymous": "AB3C3D3E3F9",
"energy": -453.69163246,
"energy_per_atom": -5.1555867325,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -439.03963246,
"band_gap": 2.0141,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:38:18.985000Z",
"spacegroup": 14
},
{
"id": "mp-1201788",
"created_at": "2022-09-04T14:47:59.951198Z",
"structure_string": "Na2 U2 Co1 H8 C12 O28\n1.0\n6.502846 0.029274 0.573983\n2.814104 7.134360 1.962943\n0.069263 -0.041576 13.005328\nNa U Co H C O\n2 2 1 8 12 28\ndirect\n0.747185 0.838437 0.791064 Na\n0.252815 0.161563 0.208936 Na\n0.763223 0.337473 0.803450 U\n0.236777 0.662527 0.196550 U\n0.500000 0.000000 0.500000 Co\n0.916100 0.852219 0.575546 H\n0.083900 0.147781 0.424454 H\n0.806242 0.060583 0.593692 H\n0.193758 0.939416 0.406308 H\n0.751033 0.978471 0.319080 H\n0.248967 0.021529 0.680920 H\n0.647873 0.193324 0.325582 H\n0.352127 0.806676 0.674418 H\n0.309217 0.249935 0.773947 C\n0.690783 0.750065 0.226053 C\n0.215252 0.455085 0.780759 C\n0.784748 0.544915 0.219241 C\n0.803389 0.386971 0.543579 C\n0.196611 0.613029 0.456421 C\n0.696630 0.590288 0.560613 C\n0.303370 0.409712 0.439387 C\n0.524367 0.589824 0.978807 C\n0.475633 0.410176 0.021194 C\n0.973518 0.932151 0.975157 C\n0.026482 0.067849 0.024843 C\n0.169384 0.176789 0.766670 O\n0.830616 0.823211 0.233330 O\n0.007288 0.528426 0.789871 O\n0.992712 0.471574 0.210129 O\n0.353492 0.533705 0.776051 O\n0.646508 0.466295 0.223949 O\n0.517485 0.169160 0.774724 O\n0.482515 0.830840 0.225276 O\n0.821976 0.261641 0.631969 O\n0.178024 0.738359 0.368031 O\n0.680703 0.598703 0.658244 O\n0.319297 0.401297 0.341756 O\n0.633141 0.728684 0.482907 O\n0.366859 0.271316 0.517093 O\n0.861084 0.355491 0.454805 O\n0.138916 0.644509 0.545195 O\n0.631152 0.599624 0.892058 O\n0.368848 0.400376 0.107942 O\n0.456525 0.713004 0.032551 O\n0.543475 0.286996 0.967449 O\n0.889115 0.999321 0.882363 O\n0.110885 0.000679 0.117637 O\n0.015924 0.767271 0.029070 O\n0.984076 0.232729 0.970930 O\n0.778082 0.944518 0.598141 O\n0.221918 0.055482 0.401859 O\n0.692595 0.064241 0.368058 O\n0.307405 0.935759 0.631942 O\n",
"nsites": 53,
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"elements": [
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"Co",
"H",
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"O"
],
"chemical_system": "C-Co-H-Na-O-U",
"density": 3.2554575055352677,
"density_atomic": 0.08797015139237878,
"volume": 602.4770807043491,
"volume_molar": 6.8456637446706985,
"formula_full": "Na2 U2 Co1 H8 C12 O28",
"formula_reduced": "Na2U2CoH8(C3O7)4",
"formula_anonymous": "AB2C2D8E12F28",
"energy": -401.16709242,
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"updated_at": "2021-11-28T01:38:29.615000Z",
"spacegroup": 2
},
{
"id": "mp-1233744",
"created_at": "2022-09-04T14:48:11.326905Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.796590 0.036544 0.025791\n4.461606 7.581257 0.025793\n4.461606 2.563518 7.134735\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.743405 0.743405 0.743405 Mg\n0.149767 0.149767 0.149766 Fe\n0.353084 0.353084 0.353084 Fe\n0.625373 0.625374 0.625373 Fe\n0.014931 0.014935 0.014935 Ni\n0.492474 0.492472 0.492473 Ni\n0.873845 0.873845 0.873845 Sb\n0.052584 0.747270 0.444717 P\n0.444718 0.052584 0.747270 P\n0.747270 0.444718 0.052584 P\n0.253622 0.534663 0.961422 P\n0.534663 0.961422 0.253622 P\n0.961423 0.253622 0.534663 P\n0.098118 0.342783 0.483540 O\n0.342783 0.483539 0.098118 O\n0.072686 0.913521 0.255926 O\n0.483540 0.098118 0.342783 O\n0.997483 0.794496 0.620433 O\n0.245107 0.586726 0.431116 O\n0.255926 0.072686 0.913521 O\n0.431116 0.245107 0.586727 O\n0.145563 0.408080 0.029080 O\n0.586727 0.431115 0.245108 O\n0.105027 0.745487 0.956748 O\n0.408080 0.029079 0.145563 O\n0.620434 0.997483 0.794496 O\n0.913521 0.255927 0.072686 O\n0.391202 0.545511 0.758736 O\n0.794495 0.620434 0.997483 O\n0.545511 0.758736 0.391202 O\n0.745487 0.956748 0.105027 O\n0.758736 0.391202 0.545510 O\n0.029080 0.145563 0.408080 O\n0.491988 0.884115 0.699367 O\n0.956748 0.105027 0.745487 O\n0.699367 0.491989 0.884115 O\n0.884115 0.699368 0.491989 O\n",
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"elements": [
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"density_atomic": 0.0781428634762217,
"volume": 473.49173493314373,
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"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
"formula_reduced": "MgFe3Ni2Sb(PO4)6",
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"energy": -276.69622246,
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"updated_at": "2021-11-28T01:38:31.313000Z",
"spacegroup": 146
},
{
"id": "mp-1238095",
"created_at": "2022-09-04T14:48:11.312081Z",
"structure_string": "Sn4 H16 S4 N4 O16 F4\n1.0\n14.124387 0.000000 0.000000\n0.000000 5.054829 0.000000\n0.000000 0.599021 9.125441\nSn H S N O F\n4 16 4 4 16 4\ndirect\n0.265167 0.885678 0.461695 Sn\n0.765167 0.114322 0.038305 Sn\n0.734833 0.114322 0.538305 Sn\n0.234833 0.885678 0.961695 Sn\n0.049649 0.247640 0.880570 H\n0.549649 0.752360 0.619430 H\n0.950351 0.752360 0.119430 H\n0.450351 0.247640 0.380570 H\n0.115924 0.414913 0.750574 H\n0.615924 0.585087 0.749426 H\n0.884076 0.585087 0.249426 H\n0.384076 0.414913 0.250574 H\n0.936401 0.359608 0.738757 H\n0.436401 0.640392 0.761243 H\n0.063599 0.640392 0.261243 H\n0.563599 0.359608 0.238757 H\n0.087152 0.095604 0.733173 H\n0.587152 0.904396 0.766827 H\n0.912848 0.904396 0.266827 H\n0.412848 0.095604 0.233173 H\n0.371101 0.269849 0.715872 S\n0.871101 0.730151 0.784128 S\n0.628899 0.730151 0.284128 S\n0.128899 0.269849 0.215872 S\n0.102796 0.235354 0.805614 N\n0.602796 0.764646 0.694386 N\n0.897204 0.764646 0.194386 N\n0.397204 0.235354 0.305614 N\n0.288437 0.239759 0.620548 O\n0.788437 0.760241 0.879452 O\n0.711563 0.760241 0.379452 O\n0.211563 0.239759 0.120548 O\n0.128676 0.587619 0.235592 O\n0.628676 0.412381 0.264408 O\n0.871324 0.412381 0.764408 O\n0.371324 0.587619 0.735592 O\n0.144828 0.146744 0.365467 O\n0.644828 0.853256 0.134533 O\n0.855172 0.853256 0.634533 O\n0.355172 0.146744 0.865467 O\n0.461747 0.203540 0.654766 O\n0.961747 0.796460 0.845234 O\n0.538253 0.796460 0.345234 O\n0.038253 0.203540 0.154766 O\n0.161525 0.782104 0.613703 F\n0.661525 0.217896 0.886297 F\n0.838475 0.217896 0.386297 F\n0.338475 0.782104 0.113703 F\n",
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"formula_full": "Sn4 H16 S4 N4 O16 F4",
"formula_reduced": "SnH4SNO4F",
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},
{
"id": "mp-1204881",
"created_at": "2022-09-04T14:48:01.931118Z",
"structure_string": "Cs2 Mn2 Ga4 P6 H8 O28\n1.0\n5.245322 6.878177 0.000000\n-5.245322 6.878177 0.000000\n0.000000 2.902167 8.516314\nCs Mn Ga P H O\n2 2 4 6 8 28\ndirect\n0.639763 0.360237 0.750000 Cs\n0.360237 0.639763 0.250000 Cs\n0.720353 0.279647 0.250000 Mn\n0.279647 0.720353 0.750000 Mn\n0.097229 0.246356 0.426369 Ga\n0.753644 0.902771 0.073631 Ga\n0.902771 0.753644 0.573631 Ga\n0.246356 0.097229 0.926369 Ga\n0.420385 0.162526 0.172545 P\n0.837474 0.579615 0.327455 P\n0.579615 0.837474 0.827455 P\n0.162526 0.420385 0.672545 P\n0.003528 0.996472 0.750000 P\n0.996472 0.003528 0.250000 P\n0.461753 0.217448 0.502637 H\n0.782552 0.538247 0.997363 H\n0.538247 0.782552 0.497363 H\n0.217448 0.461753 0.002637 H\n0.610184 0.072982 0.550829 H\n0.927018 0.389816 0.949171 H\n0.389816 0.927018 0.449171 H\n0.072982 0.610184 0.050829 H\n0.223970 0.324003 0.536623 O\n0.675997 0.776030 0.963377 O\n0.776030 0.675997 0.463377 O\n0.324003 0.223970 0.036623 O\n0.298334 0.122363 0.334112 O\n0.877637 0.701666 0.165888 O\n0.701666 0.877637 0.665888 O\n0.122363 0.298334 0.834112 O\n0.007662 0.463237 0.338953 O\n0.536763 0.992338 0.161047 O\n0.992338 0.536763 0.661047 O\n0.463237 0.007662 0.838953 O\n0.973639 0.146292 0.615405 O\n0.853708 0.026361 0.884595 O\n0.026361 0.853708 0.384595 O\n0.146292 0.973639 0.115405 O\n0.974773 0.167779 0.302721 O\n0.832221 0.025227 0.197279 O\n0.025227 0.832221 0.697279 O\n0.167779 0.974773 0.802721 O\n0.705147 0.492049 0.329722 O\n0.507951 0.294853 0.170278 O\n0.294853 0.507951 0.670278 O\n0.492049 0.705147 0.829722 O\n0.581849 0.185442 0.489493 O\n0.814558 0.418151 0.010507 O\n0.418151 0.814558 0.510507 O\n0.185442 0.581849 0.989493 O\n",
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"volume": 614.5074645892844,
"volume_molar": 7.401300899654773,
"formula_full": "Cs2 Mn2 Ga4 P6 H8 O28",
"formula_reduced": "CsMnGa2P3(H2O7)2",
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"energy": -344.69280323,
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"spacegroup": 15
},
{
"id": "mp-1233291",
"created_at": "2022-09-04T14:48:05.829225Z",
"structure_string": "Mg1 Ti3 Fe2 Co1 P6 O24\n1.0\n8.704169 -0.047202 -0.021954\n4.361691 -7.599610 -0.001020\n4.352430 -2.551570 -7.151810\nMg Ti Fe Co P O\n1 3 2 1 6 24\ndirect\n0.745823 0.751863 0.752293 Mg\n0.111196 0.628999 0.629155 Ti\n0.383215 0.871650 0.872021 Ti\n0.937253 0.355119 0.352909 Ti\n0.977861 0.008190 0.004699 Fe\n0.504723 0.498669 0.500255 Fe\n0.569978 0.142575 0.143920 Co\n0.252330 0.245900 0.538261 P\n0.251904 0.963184 0.245881 P\n0.254594 0.537369 0.961339 P\n0.749975 0.453588 0.050278 P\n0.753265 0.048972 0.745915 P\n0.751338 0.747097 0.453111 P\n0.072787 0.117248 0.320321 O\n0.074985 0.488118 0.114966 O\n0.073068 0.321344 0.487968 O\n0.212142 0.096761 0.740101 O\n0.430147 0.170884 0.398206 O\n0.270793 0.404840 0.558163 O\n0.209718 0.949904 0.097752 O\n0.272265 0.765787 0.405531 O\n0.575156 0.622084 0.999074 O\n0.275609 0.553711 0.763791 O\n0.773523 0.264371 0.061038 O\n0.577907 -0.001826 0.805664 O\n0.430407 0.001175 0.169130 O\n0.213875 0.740369 0.945550 O\n0.734035 0.442956 0.241026 O\n0.432291 0.397631 0.000875 O\n0.736420 0.240218 0.583463 O\n0.779616 0.057139 0.901618 O\n0.737018 0.583520 0.440918 O\n0.576853 0.804153 0.621541 O\n0.773846 0.904043 0.264795 O\n0.922140 0.680970 0.514825 O\n0.920850 0.515041 0.884552 O\n0.923274 0.883530 0.679093 O\n",
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"elements": [
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