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{
"count": 146323,
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"results": [
{
"id": "mp-1173861",
"created_at": "2022-09-04T14:43:24.739078Z",
"structure_string": "Na3 Mg4 In1 Si8 O22 F2\n1.0\n5.351448 0.000000 0.000000\n2.320283 9.666311 0.000000\n1.160752 4.832218 9.180149\nNa Mg In Si O F\n3 4 1 8 22 2\ndirect\n0.500048 0.273901 0.452987 Na\n0.499943 0.722778 0.555332 Na\n0.073949 0.470841 0.998933 Na\n0.999976 0.002449 0.994203 Mg\n0.500472 0.089698 0.819448 Mg\n0.500391 0.913551 0.171774 Mg\n0.999655 0.183245 0.633304 Mg\n0.999730 0.817874 0.363891 In\n0.796132 0.881152 0.666541 Si\n0.796765 0.539374 0.338095 Si\n0.203691 0.121379 0.338918 Si\n0.204305 0.452094 0.665572 Si\n0.291687 0.802389 0.832034 Si\n0.292636 0.632940 0.166341 Si\n0.707971 0.200888 0.166289 Si\n0.708894 0.365632 0.832115 Si\n0.291478 0.655104 0.999349 O\n0.709318 0.345562 0.999368 O\n0.787042 0.888879 0.509217 O\n0.797293 0.392585 0.494043 O\n0.203864 0.113776 0.493953 O\n0.214301 0.602031 0.509450 O\n0.080758 0.776832 0.746633 O\n0.079435 0.525522 0.252818 O\n0.922411 0.221804 0.252048 O\n0.921047 0.475848 0.747427 O\n0.730510 0.046317 0.670400 O\n0.720566 0.714616 0.328861 O\n0.280037 0.956303 0.328782 O\n0.270415 0.282849 0.670519 O\n0.217988 0.968770 0.833881 O\n0.217149 0.802372 0.166497 O\n0.782460 0.031357 0.166840 O\n0.781849 0.197837 0.833499 O\n0.579421 0.772650 0.765767 O\n0.579584 0.539574 0.233299 O\n0.417528 0.229045 0.230587 O\n0.417716 0.460644 0.768577 O\n0.710813 0.899715 0.001149 F\n0.287773 0.100821 0.001259 F\n",
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"volume": 474.8777305205907,
"volume_molar": 7.149451342460863,
"formula_full": "Na3 Mg4 In1 Si8 O22 F2",
"formula_reduced": "Na3Mg4InSi8(O11F)2",
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"energy": -293.88750400000004,
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"updated_at": "2021-11-28T01:36:17.639000Z",
"spacegroup": 1
},
{
"id": "mp-1203794",
"created_at": "2022-09-04T14:42:48.931772Z",
"structure_string": "H56 C20 Br4 N12\n1.0\n7.593523 0.000000 0.000000\n0.000000 14.168423 0.000000\n-5.297067 0.000000 9.540002\nH C Br N\n56 20 4 12\ndirect\n0.226128 0.556026 0.330515 H\n0.226128 0.943974 0.830515 H\n0.773872 0.443974 0.669485 H\n0.773872 0.056026 0.169485 H\n0.298049 0.597613 0.497149 H\n0.298049 0.902387 0.997149 H\n0.701951 0.402387 0.502851 H\n0.701951 0.097613 0.002851 H\n0.005702 0.455458 0.244636 H\n0.005702 0.044542 0.744636 H\n0.994298 0.544542 0.755364 H\n0.994298 0.955458 0.255364 H\n0.852982 0.504958 0.074178 H\n0.852982 0.995042 0.574178 H\n0.147018 0.495042 0.925822 H\n0.147018 0.004958 0.425822 H\n0.737424 0.443315 0.159582 H\n0.737424 0.056685 0.659582 H\n0.262576 0.556685 0.840418 H\n0.262576 0.943315 0.340418 H\n0.528591 0.590831 0.158604 H\n0.528591 0.909169 0.658604 H\n0.471409 0.409169 0.841396 H\n0.471409 0.090831 0.341396 H\n0.623724 0.628244 0.044596 H\n0.623724 0.871756 0.544596 H\n0.376276 0.371756 0.955404 H\n0.376276 0.128244 0.455404 H\n0.661811 0.700893 0.189425 H\n0.661811 0.799107 0.689425 H\n0.338189 0.299107 0.810575 H\n0.338189 0.200893 0.310575 H\n0.181648 0.720289 0.632462 H\n0.181648 0.779711 0.132462 H\n0.818352 0.279711 0.367538 H\n0.818352 0.220289 0.867538 H\n0.025614 0.812560 0.519777 H\n0.025614 0.687440 0.019777 H\n0.974386 0.187440 0.480223 H\n0.974386 0.312560 0.980223 H\n0.213728 0.759395 0.488586 H\n0.213728 0.740605 0.988586 H\n0.786272 0.240605 0.511414 H\n0.786272 0.259395 0.011414 H\n0.696624 0.603218 0.401330 H\n0.696624 0.896782 0.901330 H\n0.303376 0.396782 0.598670 H\n0.303376 0.103218 0.098670 H\n0.674083 0.729676 0.399552 H\n0.674083 0.770324 0.899552 H\n0.325917 0.270324 0.600448 H\n0.325917 0.229676 0.100448 H\n0.823608 0.667926 0.560503 H\n0.823608 0.832074 0.060503 H\n0.176392 0.332074 0.439497 H\n0.176392 0.167926 0.939497 H\n0.996070 0.616549 0.354091 C\n0.996070 0.883451 0.854091 C\n0.003930 0.383451 0.645909 C\n0.003930 0.116549 0.145909 C\n0.862403 0.490396 0.176227 C\n0.862403 0.009604 0.676227 C\n0.137597 0.509604 0.823773 C\n0.137597 0.990396 0.323773 C\n0.652321 0.627846 0.153623 C\n0.652321 0.872154 0.653623 C\n0.347679 0.372154 0.846377 C\n0.347679 0.127846 0.346377 C\n0.103279 0.746225 0.523759 C\n0.103279 0.753775 0.023759 C\n0.896721 0.253775 0.476241 C\n0.896721 0.246225 0.976241 C\n0.775822 0.669361 0.447878 C\n0.775822 0.830639 0.947878 C\n0.224178 0.330639 0.552122 C\n0.224178 0.169361 0.052122 C\n0.408983 0.079745 0.769846 Br\n0.408983 0.420255 0.269846 Br\n0.591017 0.920255 0.230154 Br\n0.591017 0.579745 0.730154 Br\n0.189417 0.596253 0.392720 N\n0.189417 0.903747 0.892720 N\n0.810583 0.403747 0.607280 N\n0.810583 0.096253 0.107280 N\n0.842983 0.578212 0.238221 N\n0.842983 0.921788 0.738221 N\n0.157017 0.421788 0.761779 N\n0.157017 0.078212 0.261779 N\n0.954638 0.678230 0.430931 N\n0.954638 0.821770 0.930931 N\n0.045362 0.321770 0.569069 N\n0.045362 0.178230 0.069069 N\n",
"nsites": 92,
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"elements": [
"H",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-N",
"density": 1.2689616470569707,
"density_atomic": 0.08963436261515745,
"volume": 1026.3920812936367,
"volume_molar": 6.718562596195264,
"formula_full": "H56 C20 Br4 N12",
"formula_reduced": "H14C5BrN3",
"formula_anonymous": "AB3C5D14",
"energy": -505.7948032,
"energy_per_atom": -5.4977696,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:51.623000Z",
"spacegroup": 14
},
{
"id": "mp-1221674",
"created_at": "2022-09-04T14:39:58.110965Z",
"structure_string": "Na4 As2 P2 H16 O20\n1.0\n10.286311 0.000000 0.000000\n0.000000 5.267625 0.000000\n0.000000 0.067437 8.403630\nNa As P H O\n4 2 2 16 20\ndirect\n0.600172 0.663352 0.414674 Na\n0.100172 0.336648 0.585326 Na\n0.402997 0.174063 0.088084 Na\n0.902997 0.825937 0.911916 Na\n0.342832 0.831141 0.691778 As\n0.842832 0.168859 0.308222 As\n0.659155 0.337217 0.806858 P\n0.159155 0.662783 0.193142 P\n0.401390 0.434839 0.758045 H\n0.901390 0.565161 0.241955 H\n0.604359 0.959177 0.739822 H\n0.104359 0.040823 0.260178 H\n0.203315 0.799610 0.480464 H\n0.703315 0.200390 0.519536 H\n0.789768 0.293276 0.009731 H\n0.289768 0.706724 0.990269 H\n0.549015 0.699556 0.055539 H\n0.049015 0.300444 0.944461 H\n0.452618 0.200532 0.442169 H\n0.952618 0.799468 0.557831 H\n0.643935 0.905786 0.122310 H\n0.143935 0.094214 0.877690 H\n0.355315 0.405478 0.374912 H\n0.855315 0.594522 0.625088 H\n0.305396 0.934076 0.876866 O\n0.805396 0.065924 0.123134 O\n0.687509 0.433394 0.638106 O\n0.187509 0.566606 0.361894 O\n0.325634 0.496604 0.689160 O\n0.825634 0.503396 0.310840 O\n0.674401 0.034014 0.811552 O\n0.174401 0.965986 0.188448 O\n0.557067 0.828071 0.139265 O\n0.057067 0.171929 0.860735 O\n0.442430 0.331537 0.358158 O\n0.942430 0.668463 0.641842 O\n0.485952 0.926324 0.612479 O\n0.985952 0.073676 0.387521 O\n0.527612 0.416486 0.875479 O\n0.027612 0.583514 0.124521 O\n0.214995 0.931272 0.568207 O\n0.714995 0.068728 0.431793 O\n0.774133 0.426626 0.919955 O\n0.274133 0.573374 0.080045 O\n",
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"As",
"P",
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],
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"density": 2.333436147207067,
"density_atomic": 0.09662983829231044,
"volume": 455.3458929207523,
"volume_molar": 6.232175140128767,
"formula_full": "Na4 As2 P2 H16 O20",
"formula_reduced": "Na2AsP(H4O5)2",
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"energy": -254.66822496,
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"updated_at": "2021-11-28T01:34:43.454000Z",
"spacegroup": 4
},
{
"id": "mp-559053",
"created_at": "2022-09-04T14:48:13.776623Z",
"structure_string": "Na4 Y4 Se8 O24\n1.0\n5.475900 0.000000 0.000000\n0.000000 8.707695 0.000000\n0.000000 0.000000 12.965123\nNa Y Se O\n4 4 8 24\ndirect\n0.792398 0.989987 0.617807 Na\n0.792398 0.510013 0.117807 Na\n0.292398 0.010013 0.382193 Na\n0.292398 0.489987 0.882193 Na\n0.242936 0.175072 0.086399 Y\n0.742936 0.824928 0.913601 Y\n0.742936 0.675072 0.413601 Y\n0.242936 0.324928 0.586399 Y\n0.748341 0.969831 0.202636 Se\n0.248341 0.469831 0.297364 Se\n0.795039 0.266502 0.420039 Se\n0.295039 0.733498 0.579961 Se\n0.748341 0.530169 0.702636 Se\n0.295039 0.766502 0.079961 Se\n0.248341 0.030169 0.797364 Se\n0.795039 0.233498 0.920039 Se\n0.996334 0.151588 0.486707 O\n0.057502 0.872265 0.798071 O\n0.197939 0.097302 0.674040 O\n0.380692 0.562759 0.516158 O\n0.018839 0.780222 0.525748 O\n0.496334 0.848412 0.513293 O\n0.538279 0.548988 0.284803 O\n0.057502 0.627735 0.298071 O\n0.018839 0.719778 0.025748 O\n0.697939 0.902698 0.325960 O\n0.038279 0.048988 0.215197 O\n0.518839 0.219778 0.474252 O\n0.697939 0.597302 0.825960 O\n0.197939 0.402698 0.174040 O\n0.996334 0.348412 0.986707 O\n0.380692 0.937241 0.016158 O\n0.557502 0.372265 0.701929 O\n0.880692 0.437241 0.483842 O\n0.496334 0.651588 0.013293 O\n0.038279 0.451012 0.715197 O\n0.557502 0.127735 0.201929 O\n0.538279 0.951012 0.784803 O\n0.518839 0.280222 0.974252 O\n0.880692 0.062759 0.983842 O\n",
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{
"id": "mp-1194260",
"created_at": "2022-09-04T14:42:06.550230Z",
"structure_string": "As4 H12 C2 O12\n1.0\n3.825940 -6.298769 0.000000\n3.825940 6.298769 0.000000\n0.000000 0.000000 7.591924\nAs H C O\n4 12 2 12\ndirect\n0.763585 0.506134 0.039252 As\n0.506134 0.763585 0.960748 As\n0.263585 0.006134 0.460748 As\n0.006134 0.263585 0.539252 As\n0.810332 0.440347 0.335759 H\n0.440347 0.810332 0.664241 H\n0.310332 0.940347 0.164241 H\n0.940347 0.310332 0.835759 H\n0.084840 0.738600 0.956356 H\n0.738600 0.084840 0.043644 H\n0.584840 0.238600 0.543644 H\n0.238600 0.584840 0.456356 H\n0.407467 0.429271 0.117315 H\n0.429271 0.407467 0.882685 H\n0.907467 0.929271 0.382685 H\n0.929271 0.907467 0.617315 H\n0.499521 0.499521 0.000000 C\n0.999521 0.999521 0.500000 C\n0.820165 0.561241 0.262442 O\n0.561241 0.820165 0.737558 O\n0.320165 0.061241 0.237558 O\n0.061241 0.320165 0.762442 O\n0.941352 0.717781 0.924214 O\n0.717781 0.941352 0.075786 O\n0.441352 0.217781 0.575786 O\n0.217781 0.441352 0.424214 O\n0.767544 0.290742 0.967793 O\n0.290742 0.767544 0.032207 O\n0.267544 0.790742 0.532207 O\n0.790742 0.267544 0.467793 O\n",
"nsites": 30,
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"elements": [
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"H",
"C",
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],
"chemical_system": "As-C-H-O",
"density": 2.395186908964923,
"density_atomic": 0.0819871086372297,
"volume": 365.91118407092154,
"volume_molar": 7.345228853777865,
"formula_full": "As4 H12 C2 O12",
"formula_reduced": "As2H6CO6",
"formula_anonymous": "AB2C6D6",
"energy": -170.45292682,
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"updated_at": "2021-11-28T01:35:33.796000Z",
"spacegroup": 41
},
{
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