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{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12193",
"results": [
{
"id": "mp-1201468",
"created_at": "2022-09-04T14:44:03.825016Z",
"structure_string": "K2 P2 H24 Pt2 C4 N4 Cl4 O8\n1.0\n7.740287 0.012417 2.913033\n0.400546 8.839945 0.736709\n-0.042525 -0.118585 8.954006\nK P H Pt C N Cl O\n2 2 24 2 4 4 4 8\ndirect\n0.423466 0.217712 0.580196 K\n0.576534 0.782288 0.419804 K\n0.182095 0.782327 0.268022 P\n0.817905 0.217673 0.731978 P\n0.206040 0.544824 0.406755 H\n0.793960 0.455176 0.593245 H\n0.381391 0.562867 0.222807 H\n0.618609 0.437133 0.777193 H\n0.402498 0.803996 0.006237 H\n0.597502 0.196004 0.993763 H\n0.239541 0.953797 0.038642 H\n0.760459 0.046203 0.961358 H\n0.023347 0.501336 0.248966 H\n0.976653 0.498664 0.751034 H\n0.185245 0.372876 0.225379 H\n0.814755 0.627124 0.774621 H\n0.138649 0.025794 0.680400 H\n0.861351 0.974206 0.319600 H\n0.043067 0.766013 0.017421 H\n0.956933 0.233987 0.982579 H\n0.206957 0.794852 0.850471 H\n0.793043 0.205148 0.149529 H\n0.143208 0.195936 0.472324 H\n0.856792 0.804064 0.527676 H\n0.258398 0.091404 0.338466 H\n0.741602 0.908596 0.661534 H\n0.227834 0.901259 0.560717 H\n0.772166 0.098741 0.439283 H\n0.221584 0.516243 0.955868 Pt\n0.778416 0.483757 0.044132 Pt\n0.240577 0.580114 0.279508 C\n0.759423 0.419886 0.720492 C\n0.262569 0.830742 0.053808 C\n0.737431 0.169258 0.946192 C\n0.155957 0.485478 0.200618 N\n0.844043 0.514522 0.799382 N\n0.175382 0.748723 0.966242 N\n0.824618 0.251277 0.033758 N\n0.267343 0.254124 0.947707 Cl\n0.732657 0.745876 0.052293 Cl\n0.294172 0.549221 0.679472 Cl\n0.705828 0.450779 0.320528 Cl\n0.280105 0.866158 0.348982 O\n0.719895 0.133842 0.651018 O\n0.985096 0.803606 0.326552 O\n0.014904 0.196394 0.673448 O\n0.240317 0.197610 0.368521 O\n0.759683 0.802390 0.631479 O\n0.229717 0.942632 0.660042 O\n0.770283 0.057368 0.339958 O\n",
"nsites": 50,
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"elements": [
"K",
"P",
"H",
"Pt",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-K-N-O-P-Pt",
"density": 2.509726635739156,
"density_atomic": 0.08139951030394321,
"volume": 614.2543095566739,
"volume_molar": 7.398251829173807,
"formula_full": "K2 P2 H24 Pt2 C4 N4 Cl4 O8",
"formula_reduced": "KPH12PtC2N2(ClO2)2",
"formula_anonymous": "ABCD2E2F2G4H12",
"energy": -271.31046355,
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"updated_at": "2021-11-28T01:36:26.666000Z",
"spacegroup": 2
},
{
"id": "mp-1221604",
"created_at": "2022-09-04T14:45:41.731173Z",
"structure_string": "Na4 Ca2 Mn2 Al4 P4 H4 O20 F8\n1.0\n5.254078 0.035879 5.134837\n-5.237324 -7.217454 1.780202\n5.211671 -7.217452 -1.854034\nNa Ca Mn Al P H O F\n4 2 2 4 4 4 20 8\ndirect\n0.962640 0.621080 0.132620 Na\n0.962640 0.121080 0.632620 Na\n0.037360 0.878920 0.367380 Na\n0.037360 0.378920 0.867380 Na\n0.500000 0.250000 0.250000 Ca\n0.500000 0.750000 0.750000 Ca\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.250000 0.250000 Al\n0.000000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.362370 0.079530 0.678758 P\n0.362370 0.579530 0.178758 P\n0.637630 0.420470 0.821242 P\n0.637630 0.920470 0.321242 P\n0.769291 0.271540 0.478694 H\n0.769291 0.771540 0.978694 H\n0.230709 0.228460 0.021306 H\n0.230709 0.728460 0.521306 H\n0.919308 0.817928 0.931100 O\n0.919308 0.317928 0.431100 O\n0.080692 0.682072 0.568900 O\n0.080692 0.182072 0.068900 O\n0.505106 0.512655 0.253731 O\n0.505106 0.012655 0.753731 O\n0.494894 0.987345 0.246269 O\n0.494894 0.487345 0.746269 O\n0.232766 0.945678 0.631583 O\n0.232766 0.445678 0.131583 O\n0.782093 0.378354 0.696158 O\n0.782093 0.878354 0.196158 O\n0.767234 0.554322 0.868417 O\n0.767234 0.054322 0.368417 O\n0.217907 0.121646 0.803842 O\n0.217907 0.621646 0.303842 O\n0.485534 0.236955 0.523126 O\n0.485534 0.736955 0.023126 O\n0.514466 0.263045 0.976874 O\n0.514466 0.763045 0.476874 O\n0.152108 0.151728 0.346509 F\n0.152108 0.651728 0.846509 F\n0.834792 0.089062 0.908022 F\n0.834792 0.589062 0.408022 F\n0.847892 0.348272 0.153491 F\n0.847892 0.848272 0.653491 F\n0.165208 0.410938 0.591978 F\n0.165208 0.910938 0.091978 F\n",
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"nelements": 8,
"elements": [
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"Mn",
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"P",
"H",
"O",
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],
"chemical_system": "Al-Ca-F-H-Mn-Na-O-P",
"density": 3.1304746232350738,
"density_atomic": 0.09142108803136408,
"volume": 525.0429745873569,
"volume_molar": 6.587255620862845,
"formula_full": "Na4 Ca2 Mn2 Al4 P4 H4 O20 F8",
"formula_reduced": "Na2CaMnAl2P2H2(O5F2)2",
"formula_anonymous": "ABC2D2E2F2G4H10",
"energy": -332.96917318,
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"band_gap": 4.3124,
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"is_magnetic": true,
"total_magnetization": 10.0000034,
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"updated_at": "2021-11-28T01:37:17.004000Z",
"spacegroup": 2
},
{
"id": "mp-1204081",
"created_at": "2022-09-04T14:47:40.971572Z",
"structure_string": "Cu12 Mo4 H96 C32 S12 I12 N8 O4\n1.0\n0.000000 10.014011 0.000000\n-0.122970 0.000000 15.095175\n18.611078 0.000000 -3.982769\nCu Mo H C S I N O\n12 4 96 32 12 12 8 4\ndirect\n0.694162 0.943058 0.284944 Cu\n0.194162 0.556942 0.715056 Cu\n0.305838 0.056942 0.715056 Cu\n0.805838 0.443058 0.284944 Cu\n0.673626 0.778489 0.116522 Cu\n0.173626 0.721511 0.883478 Cu\n0.326374 0.221511 0.883478 Cu\n0.826374 0.278489 0.116522 Cu\n0.691656 0.701535 0.283996 Cu\n0.191656 0.798465 0.716004 Cu\n0.308344 0.298465 0.716004 Cu\n0.808344 0.201535 0.283996 Cu\n0.851626 0.805243 0.223335 Mo\n0.351626 0.694757 0.776665 Mo\n0.148374 0.194757 0.776665 Mo\n0.648374 0.305243 0.223335 Mo\n0.069845 0.986499 0.134412 H\n0.569845 0.513501 0.865588 H\n0.930155 0.013501 0.865588 H\n0.430155 0.486499 0.134412 H\n0.198876 0.902422 0.125623 H\n0.698876 0.597578 0.874377 H\n0.801124 0.097578 0.874377 H\n0.301124 0.402422 0.125623 H\n0.186676 0.991025 0.206163 H\n0.686676 0.508975 0.793837 H\n0.813324 0.008975 0.793837 H\n0.313324 0.491025 0.206163 H\n0.469441 0.055733 0.101719 H\n0.969441 0.444267 0.898281 H\n0.530559 0.944267 0.898281 H\n0.030559 0.555733 0.101719 H\n0.425634 0.028384 0.185826 H\n0.925634 0.471616 0.814174 H\n0.574366 0.971616 0.814174 H\n0.074366 0.528384 0.185826 H\n0.426154 0.940457 0.104412 H\n0.926154 0.559543 0.895588 H\n0.573846 0.059543 0.895588 H\n0.073846 0.440457 0.104412 H\n0.302317 0.060443 0.011988 H\n0.802317 0.439557 0.988012 H\n0.697683 0.939557 0.988012 H\n0.197683 0.560443 0.011988 H\n0.267356 0.943370 0.012793 H\n0.767356 0.556630 0.987207 H\n0.732644 0.056630 0.987207 H\n0.232644 0.443370 0.012793 H\n0.134478 0.025390 0.024827 H\n0.634478 0.474610 0.975173 H\n0.865522 0.974610 0.975173 H\n0.365522 0.525390 0.024827 H\n0.297285 0.173734 0.122270 H\n0.797285 0.326266 0.877730 H\n0.702715 0.826266 0.877730 H\n0.202715 0.673734 0.122270 H\n0.130610 0.144959 0.145851 H\n0.630610 0.355041 0.854149 H\n0.869390 0.855041 0.854149 H\n0.369390 0.644959 0.145851 H\n0.268473 0.140437 0.205789 H\n0.768473 0.359563 0.794211 H\n0.731527 0.859563 0.794211 H\n0.231527 0.640437 0.205789 H\n0.220213 0.800990 0.520324 H\n0.720213 0.699010 0.479676 H\n0.779787 0.199010 0.479676 H\n0.279787 0.300990 0.520324 H\n0.107448 0.776204 0.445083 H\n0.607448 0.723796 0.554917 H\n0.892552 0.223796 0.554917 H\n0.392552 0.276204 0.445083 H\n0.266540 0.719866 0.439401 H\n0.766540 0.780134 0.560599 H\n0.733460 0.280134 0.560599 H\n0.233460 0.219866 0.439401 H\n0.220192 0.956687 0.524041 H\n0.720192 0.543313 0.475959 H\n0.779808 0.043313 0.475959 H\n0.279808 0.456687 0.524041 H\n0.263804 0.999930 0.445769 H\n0.763804 0.500070 0.554231 H\n0.736196 0.000070 0.554231 H\n0.236196 0.499930 0.445769 H\n0.106057 0.944456 0.449386 H\n0.606057 0.555544 0.550614 H\n0.893943 0.055544 0.550614 H\n0.393943 0.444456 0.449386 H\n0.149278 0.834771 0.338497 H\n0.649278 0.665229 0.661503 H\n0.850722 0.165229 0.661503 H\n0.350722 0.334771 0.338497 H\n0.304323 0.892612 0.331191 H\n0.804323 0.607388 0.668809 H\n0.695677 0.107388 0.668809 H\n0.195677 0.392612 0.331191 H\n0.304476 0.772946 0.328785 H\n0.804476 0.727054 0.671215 H\n0.695524 0.227054 0.671215 H\n0.195524 0.272946 0.328785 H\n0.434644 0.876498 0.506377 H\n0.934644 0.623502 0.493623 H\n0.565356 0.123502 0.493623 H\n0.065356 0.376498 0.506377 H\n0.465306 0.795477 0.422562 H\n0.965306 0.704523 0.577438 H\n0.534694 0.204523 0.577438 H\n0.034694 0.295477 0.422562 H\n0.465274 0.915105 0.424322 H\n0.965274 0.584895 0.575678 H\n0.534726 0.084895 0.575678 H\n0.034726 0.415105 0.424322 H\n0.173559 0.973528 0.147778 C\n0.673559 0.526472 0.852222 C\n0.826441 0.026472 0.852222 C\n0.326441 0.473528 0.147778 C\n0.407152 0.012482 0.127690 C\n0.907152 0.487518 0.872310 C\n0.592848 0.987518 0.872310 C\n0.092848 0.512482 0.127690 C\n0.240150 0.014264 0.035007 C\n0.740150 0.485736 0.964993 C\n0.759850 0.985736 0.964993 C\n0.259850 0.514264 0.035007 C\n0.237591 0.130616 0.149495 C\n0.737591 0.369384 0.850505 C\n0.762409 0.869384 0.850505 C\n0.262409 0.630616 0.149495 C\n0.212514 0.782925 0.461571 C\n0.712514 0.717075 0.538429 C\n0.787486 0.217075 0.538429 C\n0.287486 0.282925 0.461571 C\n0.211304 0.946425 0.465503 C\n0.711304 0.553575 0.534497 C\n0.788696 0.053575 0.534497 C\n0.288696 0.446425 0.465503 C\n0.256034 0.837939 0.351377 C\n0.756034 0.662061 0.648623 C\n0.743966 0.162061 0.648623 C\n0.243966 0.337939 0.351377 C\n0.421577 0.861436 0.447768 C\n0.921577 0.638564 0.552232 C\n0.578423 0.138564 0.552232 C\n0.078423 0.361436 0.447768 C\n0.774568 0.837063 0.340914 S\n0.274568 0.662937 0.659086 S\n0.225432 0.162937 0.659086 S\n0.725432 0.337063 0.340914 S\n0.759753 0.913622 0.169222 S\n0.259753 0.586378 0.830778 S\n0.240247 0.086378 0.830778 S\n0.740247 0.413622 0.169222 S\n0.754213 0.669365 0.167780 S\n0.254213 0.830635 0.832220 S\n0.245787 0.330635 0.832220 S\n0.745787 0.169365 0.167780 S\n0.526703 0.063243 0.337035 I\n0.026703 0.436757 0.662965 I\n0.473297 0.936757 0.662965 I\n0.973297 0.563243 0.337035 I\n0.514813 0.755284 0.013711 I\n0.014813 0.744716 0.986289 I\n0.485187 0.244716 0.986289 I\n0.985187 0.255284 0.013711 I\n0.532139 0.607295 0.338617 I\n0.032139 0.892705 0.661383 I\n0.467861 0.392705 0.661383 I\n0.967861 0.107295 0.338617 I\n0.263543 0.032893 0.114757 N\n0.763543 0.467107 0.885243 N\n0.736457 0.967107 0.885243 N\n0.236457 0.532893 0.114757 N\n0.274632 0.857250 0.431541 N\n0.774632 0.642750 0.568459 N\n0.725368 0.142750 0.568459 N\n0.225368 0.357250 0.431541 N\n0.025071 0.802409 0.218148 O\n0.525071 0.697591 0.781852 O\n0.974929 0.197591 0.781852 O\n0.474929 0.302409 0.218148 O\n",
"nsites": 180,
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"elements": [
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"H",
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],
"chemical_system": "C-Cu-H-I-Mo-N-O-S",
"density": 2.194279535358995,
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"volume": 2808.406535427527,
"volume_molar": 9.395899704249164,
"formula_full": "Cu12 Mo4 H96 C32 S12 I12 N8 O4",
"formula_reduced": "Cu3MoH24C8S3I3N2O",
"formula_anonymous": "ABC2D3E3F3G8H24",
"energy": -924.88248192,
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"updated_at": "2021-11-28T01:38:21.626000Z",
"spacegroup": 14
},
{
"id": "mp-863003",
"created_at": "2022-09-04T14:39:28.127261Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1\n1.0\n5.234752 -8.037285 0.000000\n5.234752 8.037285 0.000000\n-7.105459 0.000000 6.443060\nNa Al Fe Si B H O F\n1 6 3 6 3 3 30 1\ndirect\n0.219193 0.219193 0.219193 Na\n0.906405 0.572860 0.349263 Al\n0.349263 0.906405 0.572860 Al\n0.572860 0.349263 0.906405 Al\n0.349263 0.572860 0.906405 Al\n0.906405 0.349263 0.572860 Al\n0.572860 0.906405 0.349263 Al\n0.576693 0.743648 0.576693 Fe\n0.576693 0.576693 0.743648 Fe\n0.743648 0.576693 0.576693 Fe\n0.187735 0.994072 0.805322 Si\n0.805322 0.187735 0.994072 Si\n0.994072 0.805322 0.187735 Si\n0.805322 0.994072 0.187735 Si\n0.187735 0.805322 0.994072 Si\n0.994072 0.187735 0.805322 Si\n0.560193 0.226575 0.560193 B\n0.560193 0.560193 0.226575 B\n0.226575 0.560193 0.560193 B\n0.245066 0.642834 0.245066 H\n0.245066 0.245066 0.642834 H\n0.642834 0.245066 0.245066 H\n0.528304 0.342087 0.528303 O\n0.528304 0.528304 0.342087 O\n0.342087 0.528304 0.528304 O\n0.375594 0.781934 0.375594 O\n0.375594 0.375594 0.781934 O\n0.781934 0.375594 0.375594 O\n0.160213 0.880705 0.160213 O\n0.160213 0.160213 0.880705 O\n0.880705 0.160213 0.160213 O\n0.993169 0.273166 0.993169 O\n0.993169 0.993169 0.273166 O\n0.273166 0.993169 0.993169 O\n0.969220 0.765451 0.585356 O\n0.585356 0.969220 0.765451 O\n0.765451 0.585356 0.969220 O\n0.585356 0.765451 0.969220 O\n0.969220 0.585356 0.765451 O\n0.765451 0.969220 0.585356 O\n0.364178 0.078736 0.793006 O\n0.793006 0.364178 0.078736 O\n0.078736 0.793006 0.364178 O\n0.793006 0.078736 0.364178 O\n0.364178 0.793006 0.078736 O\n0.078736 0.364178 0.793006 O\n0.651842 0.502606 0.168369 O\n0.168369 0.651842 0.502606 O\n0.502606 0.168369 0.651842 O\n0.168369 0.502606 0.651842 O\n0.651842 0.168369 0.502606 O\n0.502606 0.651842 0.168369 O\n0.849422 0.849422 0.849422 F\n",
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"elements": [
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"density": 3.232390442334303,
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"volume": 542.160223166379,
"volume_molar": 6.160311657322541,
"formula_full": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1",
"formula_reduced": "NaAl6Fe3Si6B3H3O30F",
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"updated_at": "2021-11-28T01:34:41.182000Z",
"spacegroup": 160
},
{
"id": "mp-1221055",
"created_at": "2022-09-04T14:39:09.595008Z",
"structure_string": "Na1 Mg2 Al6 V1 Si6 B3 H3 O31\n1.0\n8.056804 5.246609 0.000000\n-8.056804 5.246609 0.000000\n0.000000 3.333558 6.415584\nNa Mg Al V Si B H O\n1 2 6 1 6 3 3 31\ndirect\n0.995467 0.995467 0.779790 Na\n0.998597 0.815952 0.426230 Mg\n0.815952 0.998597 0.426230 Mg\n0.560115 0.332173 0.093321 Al\n0.775415 0.443288 0.651999 Al\n0.668595 0.224824 0.427305 Al\n0.443288 0.775415 0.651999 Al\n0.332173 0.560115 0.093321 Al\n0.224824 0.668595 0.427305 Al\n0.178458 0.178458 0.243546 V\n0.382387 0.192897 0.807959 Si\n0.810803 0.617161 0.193042 Si\n0.806451 0.188795 0.004358 Si\n0.617161 0.810803 0.193042 Si\n0.192897 0.382387 0.807959 Si\n0.188795 0.806451 0.004358 Si\n0.333094 0.000951 0.440278 B\n0.668702 0.668702 0.772614 B\n0.000951 0.333094 0.440278 B\n0.383655 0.383655 0.367965 H\n0.999780 0.615290 0.753314 H\n0.615290 0.999780 0.753314 H\n0.571279 0.283802 0.635557 O\n0.713291 0.428859 0.206595 O\n0.715033 0.286004 0.920064 O\n0.428859 0.713291 0.206595 O\n0.283802 0.571279 0.635557 O\n0.286004 0.715033 0.920064 O\n0.484077 0.149239 0.350410 O\n0.665012 0.516140 0.835384 O\n0.851606 0.333608 0.501855 O\n0.516140 0.665012 0.835384 O\n0.149239 0.484077 0.350410 O\n0.333608 0.851606 0.501855 O\n0.187945 0.001580 0.462109 O\n0.812716 0.812716 0.649989 O\n0.001580 0.187945 0.462109 O\n0.281724 0.281724 0.721679 O\n0.000074 0.719604 0.004651 O\n0.719604 0.000074 0.004651 O\n0.280128 0.999736 0.836195 O\n0.719963 0.719963 0.117612 O\n0.999736 0.280128 0.836195 O\n0.009611 0.009611 0.215160 O\n0.386509 0.204983 0.026902 O\n0.818447 0.612470 0.414475 O\n0.794923 0.181934 0.233044 O\n0.612470 0.818447 0.414475 O\n0.204983 0.386509 0.026902 O\n0.181934 0.794923 0.233044 O\n0.395352 0.395352 0.225635 O\n0.000021 0.601550 0.623909 O\n0.601550 0.000021 0.623909 O\n",
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],
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"formula_full": "Na1 Mg2 Al6 V1 Si6 B3 H3 O31",
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"updated_at": "2021-11-28T01:34:42.197000Z",
"spacegroup": 8
},
{
"id": "mp-1215061",
"created_at": "2022-09-04T14:43:41.522059Z",
"structure_string": "Ba4 Na2 Ti4 Mn2 Re4 Si16 H2 O52 F2\n1.0\n4.913552 -5.383477 0.000000\n4.913552 5.383477 0.000000\n0.000000 0.000000 21.343984\nBa Na Ti Mn Re Si H O F\n4 2 4 2 4 16 2 52 2\ndirect\n0.384476 0.560272 0.250000 Ba\n0.560272 0.384476 0.750000 Ba\n0.916325 0.983177 0.250000 Ba\n0.983177 0.916325 0.750000 Ba\n0.953866 0.953866 0.000000 Na\n0.953866 0.953866 0.500000 Na\n0.876801 0.499494 0.185811 Ti\n0.499494 0.876801 0.814189 Ti\n0.499494 0.876801 0.685811 Ti\n0.876801 0.499494 0.314189 Ti\n0.321765 0.321765 0.000000 Mn\n0.321765 0.321765 0.500000 Mn\n0.920595 0.460330 0.023869 Re\n0.460330 0.920595 0.976131 Re\n0.460330 0.920595 0.523869 Re\n0.920595 0.460330 0.476131 Re\n0.164100 0.208698 0.128581 Si\n0.208698 0.164100 0.871419 Si\n0.208698 0.164100 0.628581 Si\n0.164100 0.208698 0.371419 Si\n0.198718 0.790673 0.098079 Si\n0.790673 0.198718 0.901921 Si\n0.790673 0.198718 0.598079 Si\n0.198718 0.790673 0.401921 Si\n0.209626 0.575137 0.604464 Si\n0.575137 0.209626 0.395536 Si\n0.575137 0.209626 0.104464 Si\n0.209626 0.575137 0.895536 Si\n0.605900 0.818177 0.118226 Si\n0.818177 0.605900 0.881774 Si\n0.818177 0.605900 0.618226 Si\n0.605900 0.818177 0.381774 Si\n0.305439 0.918145 0.250000 H\n0.918145 0.305439 0.750000 H\n0.132674 0.493514 0.537178 O\n0.493514 0.132674 0.462822 O\n0.493514 0.132674 0.037178 O\n0.132674 0.493514 0.962822 O\n0.030237 0.626651 0.100010 O\n0.626651 0.030237 0.899990 O\n0.626651 0.030237 0.600010 O\n0.030237 0.626651 0.399990 O\n0.089442 0.269096 0.060205 O\n0.269096 0.089442 0.939795 O\n0.269096 0.089442 0.560205 O\n0.089442 0.269096 0.439795 O\n0.741514 0.375923 0.099546 O\n0.375923 0.741514 0.900454 O\n0.375923 0.741514 0.599546 O\n0.741514 0.375923 0.400454 O\n0.645441 0.035656 0.144630 O\n0.035656 0.645441 0.855370 O\n0.035656 0.645441 0.644630 O\n0.645441 0.035656 0.355370 O\n0.387609 0.738331 0.133191 O\n0.738331 0.387609 0.866809 O\n0.738331 0.387609 0.633191 O\n0.387609 0.738331 0.366809 O\n0.979933 0.126169 0.629652 O\n0.126169 0.979933 0.370348 O\n0.126169 0.979933 0.129652 O\n0.979933 0.126169 0.870348 O\n0.018847 0.631100 0.250000 O\n0.631100 0.018847 0.750000 O\n0.722264 0.385266 0.250000 O\n0.385266 0.722264 0.750000 O\n0.642953 0.829945 0.042723 O\n0.829945 0.642953 0.957277 O\n0.829945 0.642953 0.542723 O\n0.642953 0.829945 0.457277 O\n0.279763 0.386628 0.638383 O\n0.386628 0.279763 0.361617 O\n0.386628 0.279763 0.138383 O\n0.279763 0.386628 0.861617 O\n0.242979 0.827574 0.024669 O\n0.827574 0.242979 0.975331 O\n0.827574 0.242979 0.524669 O\n0.242979 0.827574 0.475331 O\n0.048526 0.299810 0.182919 O\n0.299810 0.048526 0.817081 O\n0.299810 0.048526 0.682919 O\n0.048526 0.299810 0.317081 O\n0.721705 0.704180 0.168051 O\n0.704180 0.721705 0.831949 O\n0.704180 0.721705 0.668051 O\n0.721705 0.704180 0.331949 O\n0.514910 0.514910 0.000000 F\n0.514910 0.514910 0.500000 F\n",
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"elements": [
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"Mn",
"Re",
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],
"chemical_system": "Ba-F-H-Mn-Na-O-Re-Si-Ti",
"density": 4.357013130121373,
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"volume": 1129.1818811050034,
"volume_molar": 7.727377535972631,
"formula_full": "Ba4 Na2 Ti4 Mn2 Re4 Si16 H2 O52 F2",
"formula_reduced": "Ba2NaTi2MnRe2Si8HO26F",
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"updated_at": "2021-11-28T01:36:14.723000Z",
"spacegroup": 40
},
{
"id": "mp-1213447",
"created_at": "2022-09-04T14:46:38.302687Z",
"structure_string": "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2\n1.0\n7.104738 0.000000 0.000000\n0.000000 5.406976 0.000000\n0.000000 1.546886 20.790678\nK Ba Na Ca Ti Fe Si O F\n1 1 1 1 4 8 8 38 2\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ca\n0.500000 0.522942 0.410055 Ti\n0.500000 0.477058 0.589945 Ti\n0.000000 0.978341 0.088966 Ti\n0.000000 0.021659 0.911034 Ti\n0.000000 0.279068 0.249739 Fe\n0.000000 0.720932 0.750262 Fe\n0.739317 0.733939 0.262269 Fe\n0.260683 0.266061 0.737731 Fe\n0.739317 0.266061 0.737731 Fe\n0.260683 0.733939 0.262269 Fe\n0.500000 0.753176 0.747748 Fe\n0.500000 0.246824 0.252252 Fe\n0.725270 0.460987 0.124713 Si\n0.274730 0.539013 0.875287 Si\n0.725270 0.539013 0.875287 Si\n0.274730 0.460987 0.124713 Si\n0.781673 0.957325 0.619170 Si\n0.218327 0.042675 0.380830 Si\n0.781673 0.042675 0.380830 Si\n0.218327 0.957325 0.619170 Si\n0.754277 0.417725 0.203944 O\n0.245723 0.582275 0.796056 O\n0.754277 0.582275 0.796056 O\n0.245723 0.417725 0.203944 O\n0.500000 0.500000 0.000000 O\n0.697346 0.725377 0.585151 O\n0.302654 0.274623 0.414849 O\n0.697346 0.274623 0.414849 O\n0.302654 0.725377 0.585151 O\n0.000000 0.000000 0.000000 O\n0.000000 0.580425 0.285269 O\n0.000000 0.419575 0.714731 O\n0.500000 0.460900 0.116583 O\n0.500000 0.539100 0.883417 O\n0.792051 0.921838 0.698497 O\n0.207949 0.078162 0.301503 O\n0.792051 0.078162 0.301503 O\n0.207949 0.921838 0.698497 O\n0.500000 0.502006 0.309315 O\n0.500000 0.497994 0.690685 O\n0.500000 0.916861 0.230673 O\n0.500000 0.083139 0.769327 O\n0.812768 0.720154 0.093884 O\n0.187232 0.279846 0.906116 O\n0.812768 0.279846 0.906116 O\n0.187232 0.720154 0.093884 O\n0.000000 0.021883 0.409508 O\n0.000000 0.978117 0.590492 O\n0.689721 0.780830 0.404848 O\n0.310279 0.219170 0.595152 O\n0.689721 0.219170 0.595152 O\n0.310279 0.780830 0.404848 O\n0.000000 0.000000 0.500000 O\n0.812552 0.239855 0.085566 O\n0.187448 0.760145 0.914434 O\n0.812552 0.760145 0.914434 O\n0.187448 0.239855 0.085566 O\n0.500000 0.500000 0.500000 O\n0.000000 0.996685 0.190202 F\n0.000000 0.003315 0.809798 F\n",
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],
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"volume": 798.6769693193114,
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"formula_full": "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2",
"formula_reduced": "KBaNaCaTi4Fe8Si8(O19F)2",
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"updated_at": "2021-11-28T01:37:46.531000Z",
"spacegroup": 10
}
]
}