HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=23",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=21",
"results": [
{
"id": "mp-1229151",
"created_at": "2022-09-04T14:39:39.912106Z",
"structure_string": "Ag15 S5 I4 Br1\n1.0\n4.936213 0.027121 4.954583\n-4.911428 4.955389 4.957660\n-0.028437 -9.849805 4.868269\nAg S I Br\n15 5 4 1\ndirect\n0.274470 0.243898 0.867244 Ag\n0.678525 0.645865 0.064185 Ag\n0.078452 0.045056 0.260539 Ag\n0.476349 0.444328 0.465502 Ag\n0.876763 0.845325 0.666804 Ag\n0.446177 0.055428 0.012231 Ag\n0.844615 0.455417 0.211787 Ag\n0.242842 0.858159 0.413094 Ag\n0.643025 0.257036 0.613212 Ag\n0.045263 0.660816 0.815230 Ag\n0.395176 0.885954 0.750319 Ag\n0.801683 0.281045 0.949012 Ag\n0.197913 0.685577 0.148558 Ag\n0.599669 0.084977 0.346947 Ag\n0.997893 0.484152 0.549739 Ag\n0.844585 0.304948 0.383878 S\n0.242109 0.707877 0.587105 S\n0.641696 0.106345 0.787757 S\n0.042289 0.507010 0.985703 S\n0.442955 0.907062 0.184421 S\n0.395504 0.400709 0.202457 I\n0.795071 0.800256 0.400890 I\n0.194645 0.199458 0.602439 I\n0.595867 0.598962 0.800504 I\n0.008462 0.001340 0.996441 Br\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Ag",
"S",
"I",
"Br"
],
"chemical_system": "Ag-Br-I-S",
"density": 6.535109634527873,
"density_atomic": 0.04158655390079966,
"volume": 601.1558461813129,
"volume_molar": 14.4809804976031,
"formula_full": "Ag15 S5 I4 Br1",
"formula_reduced": "Ag15S5I4Br",
"formula_anonymous": "AB4C5D15",
"energy": -77.99784024,
"energy_per_atom": -3.1199136096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.43284024,
"band_gap": 0.5666000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.814000Z",
"spacegroup": 1
},
{
"id": "mp-1245378",
"created_at": "2022-09-04T14:43:24.757115Z",
"structure_string": "Ag30 W14 N38\n1.0\n6.555825 0.013259 0.027533\n-2.207407 11.657628 -0.324615\n-1.291243 -0.890957 19.329772\nAg W N\n30 14 38\ndirect\n0.544338 0.604079 0.430647 Ag\n0.455662 0.395921 0.569353 Ag\n0.541976 0.128596 0.685578 Ag\n0.458024 0.871404 0.314422 Ag\n0.846564 0.031018 0.265393 Ag\n0.153436 0.968982 0.734607 Ag\n0.720486 0.065028 0.414475 Ag\n0.279514 0.934972 0.585525 Ag\n0.962339 0.819087 0.212720 Ag\n0.037661 0.180913 0.787280 Ag\n0.638745 0.089195 0.831426 Ag\n0.361255 0.910805 0.168574 Ag\n0.057192 0.944756 0.897120 Ag\n0.942808 0.055244 0.102880 Ag\n0.760351 0.145502 0.979440 Ag\n0.239649 0.854498 0.020560 Ag\n0.440077 0.850072 0.464291 Ag\n0.559923 0.149928 0.535709 Ag\n0.590268 0.653525 0.254201 Ag\n0.409732 0.346475 0.745799 Ag\n0.082949 0.335936 0.057501 Ag\n0.917051 0.664064 0.942499 Ag\n0.987267 0.677392 0.777234 Ag\n0.012733 0.322608 0.222766 Ag\n0.681099 0.334517 0.431324 Ag\n0.318901 0.665483 0.568676 Ag\n0.679940 0.344751 0.881637 Ag\n0.320060 0.655249 0.118363 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.615678 0.249861 0.119985 W\n0.384322 0.750139 0.880015 W\n0.931095 0.391099 0.699673 W\n0.068905 0.608901 0.300327 W\n0.806315 0.647693 0.629935 W\n0.193685 0.352307 0.370065 W\n0.964959 0.753512 0.467880 W\n0.035041 0.246488 0.532120 W\n0.832639 0.552625 0.125501 W\n0.167361 0.447375 0.874499 W\n0.650273 0.887149 0.733078 W\n0.349727 0.112851 0.266922 W\n0.696741 0.789538 0.048980 W\n0.303259 0.210462 0.951020 W\n0.888243 0.223472 0.129260 N\n0.111757 0.776528 0.870740 N\n0.005829 0.332159 0.617901 N\n0.994171 0.667841 0.382099 N\n0.568781 0.057264 0.313525 N\n0.431219 0.942736 0.686475 N\n0.531235 0.807288 0.806070 N\n0.468765 0.192712 0.193930 N\n0.650191 0.411353 0.126321 N\n0.349809 0.588647 0.873679 N\n0.445989 0.427569 0.403894 N\n0.554011 0.572431 0.596106 N\n0.851734 0.107957 0.518857 N\n0.148266 0.892043 0.481143 N\n0.980312 0.666068 0.551702 N\n0.019688 0.333932 0.448298 N\n0.948025 0.888653 0.058395 N\n0.051975 0.111347 0.941605 N\n0.702709 0.780952 0.457733 N\n0.297291 0.219048 0.542267 N\n0.770379 0.786973 0.675412 N\n0.229621 0.213027 0.324588 N\n0.923315 0.487758 0.888618 N\n0.076685 0.512242 0.111382 N\n0.525238 0.810052 0.966742 N\n0.474762 0.189948 0.033258 N\n0.761233 0.634785 0.044326 N\n0.238767 0.365215 0.955674 N\n0.862768 0.005091 0.773944 N\n0.137232 0.994909 0.226056 N\n0.880303 0.631144 0.218858 N\n0.119697 0.368856 0.781142 N\n0.912189 0.549045 0.691078 N\n0.087811 0.450955 0.308922 N\n0.675020 0.306886 0.707437 N\n0.324980 0.693114 0.292563 N\n0.557082 0.807132 0.127946 N\n0.442918 0.192868 0.872054 N\n",
"nsites": 82,
"nelements": 3,
"elements": [
"Ag",
"W",
"N"
],
"chemical_system": "Ag-N-W",
"density": 7.132913831836722,
"density_atomic": 0.055539420632586295,
"volume": 1476.4287971684143,
"volume_molar": 10.84300248617766,
"formula_full": "Ag30 W14 N38",
"formula_reduced": "Ag15W7N19",
"formula_anonymous": "A7B15C19",
"energy": -576.36935236,
"energy_per_atom": -7.028894540975609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -562.65135236,
"band_gap": 0.9837999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.244000Z",
"spacegroup": 2
},
{
"id": "mp-1215118",
"created_at": "2022-09-04T14:47:59.535653Z",
"structure_string": "Ag64 Hg4 As16 S60\n1.0\n-13.213955 -7.654651 0.145078\n-13.213955 7.654651 0.145078\n0.039138 -0.000000 -15.957055\nAg Hg As S\n64 4 16 60\ndirect\n0.486563 0.949063 0.586012 Ag\n0.050937 0.513437 0.413988 Ag\n0.680782 0.982099 0.588615 Ag\n0.017901 0.319218 0.411385 Ag\n0.202987 0.951025 0.587536 Ag\n0.048975 0.797013 0.412464 Ag\n0.092720 0.645292 0.785494 Ag\n0.354708 0.907280 0.214506 Ag\n0.581951 0.649936 0.804001 Ag\n0.350064 0.418050 0.195999 Ag\n0.618943 0.016791 0.001661 Ag\n0.983209 0.381057 0.998339 Ag\n0.378741 0.150058 0.801663 Ag\n0.849942 0.621259 0.198337 Ag\n0.800992 0.791639 0.401628 Ag\n0.208361 0.199008 0.598372 Ag\n0.078972 0.153234 0.807328 Ag\n0.846766 0.921028 0.192672 Ag\n0.114393 0.754755 0.998950 Ag\n0.245245 0.885607 0.001050 Ag\n0.008281 0.991719 -0.000000 Ag\n0.649839 0.117349 0.205634 Ag\n0.882651 0.350161 0.794366 Ag\n0.182526 0.756685 0.586640 Ag\n0.243315 0.817474 0.413360 Ag\n0.477087 0.884708 0.000117 Ag\n0.115292 0.522913 0.999883 Ag\n0.338950 0.661050 -0.000000 Ag\n0.603331 0.248188 0.997764 Ag\n0.751812 0.396669 0.002236 Ag\n0.536803 0.021750 0.415420 Ag\n0.978250 0.463197 0.584580 Ag\n0.384971 0.648520 0.807319 Ag\n0.351480 0.615029 0.192681 Ag\n0.707422 0.793096 0.998799 Ag\n0.206904 0.292578 0.001201 Ag\n0.683068 0.261148 0.586373 Ag\n0.738852 0.316932 0.413627 Ag\n0.853728 0.115633 0.201181 Ag\n0.884367 0.146272 0.798819 Ag\n0.554724 0.292584 0.414536 Ag\n0.707416 0.445276 0.585464 Ag\n0.385783 0.342996 0.803306 Ag\n0.657004 0.614217 0.196694 Ag\n0.526826 0.828648 0.414743 Ag\n0.171352 0.473174 0.585257 Ag\n0.378674 0.856815 0.789788 Ag\n0.143185 0.621326 0.210212 Ag\n0.887046 0.841877 0.806853 Ag\n0.158123 0.112954 0.193147 Ag\n0.929853 0.975415 0.594839 Ag\n0.024585 0.070147 0.405161 Ag\n0.425964 0.476314 0.595350 Ag\n0.523686 0.574036 0.404650 Ag\n0.398676 0.103148 0.998525 Ag\n0.896852 0.601324 0.001475 Ag\n0.588938 0.146857 0.791715 Ag\n0.853143 0.411062 0.208285 Ag\n0.689972 0.713508 0.594052 Ag\n0.286492 0.310028 0.405948 Ag\n0.881121 0.650932 0.803061 Ag\n0.349068 0.118879 0.196939 Ag\n0.529004 0.470996 -0.000000 Ag\n0.815231 0.184769 -0.000000 Ag\n0.867644 0.883958 0.000633 Hg\n0.116042 0.132356 0.999367 Hg\n0.359200 0.386859 0.001292 Hg\n0.613141 0.640800 0.998708 Hg\n0.448595 0.710041 0.575625 As\n0.289959 0.551405 0.424375 As\n0.440416 0.224977 0.574107 As\n0.775023 0.559584 0.425893 As\n0.785476 0.044708 0.424945 As\n0.955292 0.214524 0.575055 As\n0.606966 0.891495 0.788239 As\n0.108505 0.393034 0.211761 As\n0.109407 0.392034 0.788308 As\n0.607966 0.890593 0.211692 As\n0.119508 0.879320 0.788856 As\n0.120680 0.880492 0.211144 As\n0.623512 0.377226 0.211192 As\n0.622774 0.376488 0.788808 As\n0.272600 0.065626 0.425095 As\n0.934374 0.727400 0.574905 As\n0.630127 0.115291 0.363279 S\n0.884709 0.369873 0.636721 S\n0.083394 0.916606 0.500000 S\n0.596408 0.161105 0.634815 S\n0.838895 0.403592 0.365185 S\n0.547225 0.298542 0.146701 S\n0.701458 0.452775 0.853299 S\n0.860219 0.872822 0.652450 S\n0.127178 0.139781 0.347550 S\n0.183063 0.472375 0.854373 S\n0.527625 0.816937 0.145627 S\n0.690032 0.739446 0.854323 S\n0.260554 0.309968 0.145677 S\n0.200789 0.951738 0.855466 S\n0.048262 0.799211 0.144534 S\n0.382833 0.868138 0.633086 S\n0.131862 0.617167 0.366914 S\n0.958251 0.461372 0.855677 S\n0.538628 0.041749 0.144323 S\n0.358042 0.654759 0.649424 S\n0.345241 0.641958 0.350576 S\n0.694927 0.225567 0.856814 S\n0.774433 0.305073 0.143186 S\n0.947650 0.224373 0.934650 S\n0.775627 0.052350 0.065350 S\n0.444830 0.727233 0.933544 S\n0.272767 0.555170 0.066456 S\n0.192118 0.240404 0.855826 S\n0.759596 0.807882 0.144174 S\n0.456141 0.961353 0.856191 S\n0.038647 0.543859 0.143809 S\n0.648936 0.862510 0.499374 S\n0.137490 0.351064 0.500626 S\n0.387751 0.129203 0.643741 S\n0.870797 0.612249 0.356259 S\n0.354642 0.372414 0.648534 S\n0.627586 0.645358 0.351466 S\n0.598280 0.629728 0.647061 S\n0.370272 0.401720 0.352939 S\n0.844116 0.137871 0.359121 S\n0.862129 0.155884 0.640879 S\n0.578610 0.421390 0.500000 S\n0.094345 0.654485 0.628853 S\n0.345515 0.905655 0.371147 S\n0.361420 0.126047 0.355890 S\n0.873953 0.638580 0.644110 S\n0.471352 0.457405 0.855856 S\n0.542595 0.528648 0.144144 S\n0.682120 0.970201 0.855158 S\n0.029799 0.317880 0.144842 S\n0.954251 0.715945 0.934552 S\n0.284055 0.045749 0.065448 S\n0.189595 0.728123 0.855891 S\n0.271877 0.810405 0.144109 S\n0.868390 0.898816 0.348484 S\n0.101184 0.131610 0.651516 S\n0.453066 0.220391 0.933778 S\n0.779609 0.546934 0.066222 S\n0.967000 0.961969 0.854644 S\n0.038031 0.033000 0.145356 S\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"As",
"S"
],
"chemical_system": "Ag-As-Hg-S",
"density": 5.570458732955031,
"density_atomic": 0.044610103567203796,
"volume": 3227.9682960849505,
"volume_molar": 13.499499616556202,
"formula_full": "Ag64 Hg4 As16 S60",
"formula_reduced": "Ag16HgAs4S15",
"formula_anonymous": "AB4C15D16",
"energy": -548.51314077,
"energy_per_atom": -3.8091190331249996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -518.33314077,
"band_gap": 1.1012,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.466000Z",
"spacegroup": 5
},
{
"id": "mp-28729",
"created_at": "2022-09-04T14:41:16.877429Z",
"structure_string": "Ag25 Bi3 O18\n1.0\n5.872851 -10.172077 0.000000\n5.872851 10.172077 0.000000\n0.000000 0.000000 6.411156\nAg Bi O\n25 3 18\ndirect\n0.048170 0.304708 0.339322 Ag\n0.764991 0.249141 0.247580 Ag\n0.750859 0.515850 0.247580 Ag\n0.484150 0.235009 0.247580 Ag\n0.235009 0.750859 0.752420 Ag\n0.249141 0.484150 0.752420 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.695292 0.743462 0.339322 Ag\n0.951830 0.695292 0.660678 Ag\n0.743462 0.048170 0.660678 Ag\n0.304708 0.256538 0.660678 Ag\n0.979159 0.250047 0.844511 Ag\n0.270888 0.020841 0.844511 Ag\n0.749953 0.729112 0.844511 Ag\n0.020841 0.749953 0.155489 Ag\n0.729112 0.979159 0.155489 Ag\n0.250047 0.270888 0.155489 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.515850 0.764991 0.752420 Ag\n0.256538 0.951830 0.339322 Ag\n0.000000 0.000000 0.500000 Bi\n0.666667 0.333333 0.759159 Bi\n0.333333 0.666667 0.240841 Bi\n0.676223 0.182496 0.548791 O\n0.506273 0.323777 0.548791 O\n0.817504 0.493727 0.548791 O\n0.182496 0.506273 0.451209 O\n0.922427 0.095308 0.293294 O\n0.172882 0.077573 0.293294 O\n0.904692 0.827118 0.293294 O\n0.077573 0.904692 0.706706 O\n0.827118 0.922427 0.706706 O\n0.095308 0.172882 0.706706 O\n0.839674 0.310716 0.939415 O\n0.471042 0.160326 0.939415 O\n0.689284 0.528958 0.939415 O\n0.160326 0.689284 0.060585 O\n0.528958 0.839674 0.060585 O\n0.310716 0.471042 0.060585 O\n0.323777 0.817504 0.451209 O\n0.493727 0.676223 0.451209 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.8293919852992495,
"density_atomic": 0.0600527458663509,
"volume": 765.9932836772246,
"volume_molar": 10.028085598954036,
"formula_full": "Ag25 Bi3 O18",
"formula_reduced": "Ag25(BiO6)3",
"formula_anonymous": "A3B18C25",
"energy": -196.95959459,
"energy_per_atom": -4.2817303171739125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.59359459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007874,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.265000Z",
"spacegroup": 147
},
{
"id": "mp-729516",
"created_at": "2022-09-04T14:40:09.549832Z",
"structure_string": "Ag8 As8 O28\n1.0\n13.762268 0.000000 0.000000\n0.000000 6.330317 0.000000\n0.000000 4.045036 7.057822\nAg As O\n8 8 28\ndirect\n0.241134 0.152155 0.434962 Ag\n0.258866 0.152155 0.934962 Ag\n0.758866 0.847845 0.565038 Ag\n0.741134 0.847845 0.065038 Ag\n0.979817 0.058032 0.676650 Ag\n0.520183 0.058032 0.176650 Ag\n0.020183 0.941968 0.323350 Ag\n0.479817 0.941968 0.823350 Ag\n0.197335 0.639415 0.947775 As\n0.302665 0.639415 0.447775 As\n0.802665 0.360585 0.052225 As\n0.697335 0.360585 0.552225 As\n0.002385 0.499936 0.182217 As\n0.497615 0.499936 0.682217 As\n0.997615 0.500064 0.817783 As\n0.502385 0.500064 0.317783 As\n0.958628 0.695104 0.932127 O\n0.541372 0.695104 0.432127 O\n0.041372 0.304896 0.067873 O\n0.458628 0.304896 0.567873 O\n0.959349 0.677561 0.276447 O\n0.540651 0.677561 0.776447 O\n0.040651 0.322439 0.723553 O\n0.459349 0.322439 0.223553 O\n0.045928 0.220402 0.397459 O\n0.454072 0.220402 0.897459 O\n0.954072 0.779598 0.602541 O\n0.545928 0.779598 0.102541 O\n0.126426 0.655444 0.121682 O\n0.373574 0.655444 0.621682 O\n0.873574 0.344556 0.878318 O\n0.626426 0.344556 0.378318 O\n0.125217 0.656415 0.763724 O\n0.374783 0.656415 0.263724 O\n0.874783 0.343585 0.236276 O\n0.625217 0.343585 0.736276 O\n0.263251 0.375915 0.060104 O\n0.236749 0.375915 0.560104 O\n0.736749 0.624085 0.939896 O\n0.763251 0.624085 0.439896 O\n0.267029 0.898600 0.835811 O\n0.232971 0.898600 0.335811 O\n0.732971 0.101400 0.164189 O\n0.767029 0.101400 0.664189 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ag",
"As",
"O"
],
"chemical_system": "Ag-As-O",
"density": 5.158992142424909,
"density_atomic": 0.07155936959769826,
"volume": 614.8740583848754,
"volume_molar": 8.415586657423132,
"formula_full": "Ag8 As8 O28",
"formula_reduced": "Ag2As2O7",
"formula_anonymous": "A2B2C7",
"energy": -247.8669934,
"energy_per_atom": -5.63334075909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.6309934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3735908,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.282000Z",
"spacegroup": 14
},
{
"id": "mp-733466",
"created_at": "2022-09-04T14:41:54.473331Z",
"structure_string": "Ag8 As12 S24 N4\n1.0\n7.288432 0.000000 0.000000\n0.000000 9.754567 0.000000\n0.000000 9.338896 16.895200\nAg As S N\n8 12 24 4\ndirect\n0.980698 0.158182 0.000958 Ag\n0.519302 0.158182 0.500958 Ag\n0.019302 0.841818 0.999042 Ag\n0.480698 0.841818 0.499042 Ag\n0.464709 0.124947 0.899833 Ag\n0.035291 0.124947 0.399833 Ag\n0.535291 0.875053 0.100167 Ag\n0.964709 0.875053 0.600167 Ag\n0.400624 0.452602 0.915209 As\n0.099376 0.452602 0.415209 As\n0.599376 0.547398 0.084791 As\n0.900624 0.547398 0.584791 As\n0.383951 0.705775 0.720777 As\n0.116049 0.705775 0.220777 As\n0.616049 0.294225 0.279223 As\n0.883951 0.294225 0.779223 As\n0.346210 0.832371 0.852441 As\n0.153790 0.832371 0.352441 As\n0.653790 0.167629 0.147559 As\n0.846210 0.167629 0.647559 As\n0.312665 0.204149 0.002551 S\n0.187335 0.204149 0.502551 S\n0.687335 0.795851 0.997449 S\n0.812665 0.795851 0.497449 S\n0.251056 0.734788 0.609510 S\n0.248944 0.734788 0.109510 S\n0.748944 0.265212 0.390490 S\n0.751056 0.265212 0.890490 S\n0.195708 0.008379 0.872923 S\n0.304292 0.008379 0.372923 S\n0.804292 0.991621 0.127077 S\n0.695708 0.991621 0.627077 S\n0.242694 0.471243 0.808111 S\n0.257306 0.471243 0.308111 S\n0.757306 0.528757 0.191889 S\n0.742694 0.528757 0.691889 S\n0.195435 0.880942 0.735337 S\n0.304565 0.880942 0.235337 S\n0.804565 0.119058 0.264663 S\n0.695435 0.119058 0.764663 S\n0.212739 0.605866 0.949597 S\n0.287261 0.605866 0.449597 S\n0.787261 0.394134 0.050403 S\n0.712739 0.394134 0.550403 S\n0.692975 0.677196 0.335002 N\n0.807025 0.677196 0.835002 N\n0.307025 0.322804 0.664998 N\n0.192975 0.322804 0.164998 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ag",
"As",
"S",
"N"
],
"chemical_system": "Ag-As-N-S",
"density": 3.577168441202507,
"density_atomic": 0.03996094941584285,
"volume": 1201.1726623534626,
"volume_molar": 15.070064270326052,
"formula_full": "Ag8 As12 S24 N4",
"formula_reduced": "Ag2As3S6N",
"formula_anonymous": "AB2C3D6",
"energy": -206.10171954000003,
"energy_per_atom": -4.29378582375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.58571954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.8587251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.809000Z",
"spacegroup": 14
},
{
"id": "mp-1215023",
"created_at": "2022-09-04T14:40:28.138235Z",
"structure_string": "Ag8 As4 O8\n1.0\n-5.422423 -5.464890 0.000000\n-5.422423 5.464890 0.000000\n5.422423 0.000000 -9.239170\nAg As O\n8 4 8\ndirect\n0.377270 0.186320 0.749815 Ag\n0.372545 0.563495 0.749815 Ag\n0.813680 0.622730 0.250185 Ag\n0.872730 0.563680 0.750185 Ag\n0.436505 0.627455 0.250185 Ag\n0.877455 0.186505 0.750185 Ag\n0.436320 0.127270 0.249815 Ag\n0.813495 0.122545 0.249815 Ag\n0.625000 0.875000 0.750000 As\n0.125000 0.875000 0.750000 As\n0.125000 0.375000 0.250000 As\n0.125000 0.875000 0.250000 As\n0.652541 0.662665 0.808186 O\n0.155645 0.145522 0.808186 O\n0.337335 0.347459 0.191814 O\n0.597459 0.087335 0.691814 O\n0.854478 0.844355 0.191814 O\n0.094355 0.604478 0.691814 O\n0.912665 0.402541 0.308186 O\n0.395522 0.905645 0.308186 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"As",
"O"
],
"chemical_system": "Ag-As-O",
"density": 3.9139217526397356,
"density_atomic": 0.03652516811387167,
"volume": 547.5676371330463,
"volume_molar": 16.48764693217904,
"formula_full": "Ag8 As4 O8",
"formula_reduced": "Ag2AsO2",
"formula_anonymous": "AB2C2",
"energy": -84.05825965999998,
"energy_per_atom": -4.202912982999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.56225966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.045876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.551000Z",
"spacegroup": 70
},
{
"id": "mp-1197575",
"created_at": "2022-09-04T14:40:25.135607Z",
"structure_string": "Ag16 As8 S16\n1.0\n13.194592 0.000000 0.000000\n0.000000 6.928340 0.000000\n0.000000 1.476070 9.645080\nAg As S\n16 8 16\ndirect\n0.594424 0.079466 0.237130 Ag\n0.405576 0.579466 0.237130 Ag\n0.911192 0.776272 0.041315 Ag\n0.088808 0.276272 0.041315 Ag\n0.906965 0.375356 0.693311 Ag\n0.093035 0.875356 0.693311 Ag\n0.892701 0.869704 0.357828 Ag\n0.107299 0.369704 0.357828 Ag\n0.605603 0.601611 0.566744 Ag\n0.394397 0.101611 0.566744 Ag\n0.791796 0.193155 0.959902 Ag\n0.208204 0.693155 0.959902 Ag\n0.494391 0.848628 0.840240 Ag\n0.505609 0.348628 0.840240 Ag\n0.684935 0.643467 0.962386 Ag\n0.315065 0.143467 0.962386 Ag\n0.687186 0.559404 0.313622 As\n0.312814 0.059404 0.313622 As\n0.682719 0.148926 0.616741 As\n0.317281 0.648926 0.616741 As\n0.833007 0.314813 0.307041 As\n0.166993 0.814813 0.307041 As\n0.823173 0.892596 0.626256 As\n0.176827 0.392596 0.626256 As\n0.581603 0.451301 0.156649 S\n0.418397 0.951301 0.156649 S\n0.918430 0.003611 0.793235 S\n0.081570 0.503611 0.793235 S\n0.744720 0.846823 0.190707 S\n0.255280 0.346823 0.190707 S\n0.753559 0.610097 0.732784 S\n0.246441 0.110097 0.732784 S\n0.630603 0.089361 0.846390 S\n0.369397 0.589361 0.846390 S\n0.567741 0.981139 0.511850 S\n0.432259 0.481139 0.511850 S\n0.899036 0.396760 0.089797 S\n0.100964 0.896760 0.089797 S\n0.934842 0.488409 0.428372 S\n0.065158 0.988409 0.428372 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"As",
"S"
],
"chemical_system": "Ag-As-S",
"density": 5.345360682313937,
"density_atomic": 0.04536584446625665,
"volume": 881.7206087666286,
"volume_molar": 13.27461404246382,
"formula_full": "Ag16 As8 S16",
"formula_reduced": "Ag2AsS2",
"formula_anonymous": "AB2C2",
"energy": -160.56771138,
"energy_per_atom": -4.0141927845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.51971138,
"band_gap": 0.5615000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025596,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.984000Z",
"spacegroup": 7
},
{
"id": "mp-1080805",
"created_at": "2022-09-04T14:43:40.793979Z",
"structure_string": "Ag2 As1 S4 N1\n1.0\n-3.253543 3.253543 4.341453\n3.253543 -3.253543 4.341453\n3.253543 3.253543 -4.341453\nAg As S N\n2 1 4 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.073059 0.073059 0.411144 S\n0.661915 0.661915 0.588856 S\n0.338085 0.926941 0.000000 S\n0.926941 0.338085 0.000000 S\n0.500000 0.500000 0.000000 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"As",
"S",
"N"
],
"chemical_system": "Ag-As-N-S",
"density": 3.910688869017461,
"density_atomic": 0.043519288866497065,
"volume": 183.82653320786977,
"volume_molar": 13.837865730007577,
"formula_full": "Ag2 As1 S4 N1",
"formula_reduced": "Ag2AsS4N",
"formula_anonymous": "ABC2D4",
"energy": -32.20142456,
"energy_per_atom": -4.02517807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.82842456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.344,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.423000Z",
"spacegroup": 121
},
{
"id": "mp-1183003",
"created_at": "2022-09-04T14:41:30.042076Z",
"structure_string": "Ag2 Au3 N6 Cl17\n1.0\n-3.248035 7.311419 9.852795\n3.248035 -7.311419 9.852795\n3.248035 7.311419 -9.852795\nAg Au N Cl\n2 3 6 17\ndirect\n0.131979 0.631979 0.500000 Ag\n0.868021 0.368021 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.666879 0.666879 0.000000 Au\n0.333121 0.333121 0.000000 Au\n0.554738 0.816170 0.738569 N\n0.077601 0.816170 0.261431 N\n0.922399 0.183831 0.738569 N\n0.445262 0.183831 0.261431 N\n0.294502 0.500000 0.794502 N\n0.705498 0.500000 0.205498 N\n0.840787 0.000000 0.840787 Cl\n0.159213 0.000000 0.159213 Cl\n0.882397 0.882397 0.000000 Cl\n0.117603 0.117603 0.000000 Cl\n0.302916 0.571277 0.731639 Cl\n0.839638 0.571277 0.268361 Cl\n0.160362 0.428723 0.731639 Cl\n0.697084 0.428723 0.268361 Cl\n0.746490 0.012149 0.265659 Cl\n0.746490 0.480831 0.734341 Cl\n0.253510 0.987851 0.734341 Cl\n0.253510 0.519169 0.265659 Cl\n0.582012 0.826106 0.244094 Cl\n0.582012 0.337918 0.755906 Cl\n0.417988 0.173894 0.755906 Cl\n0.417988 0.662082 0.244094 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ag",
"Au",
"N",
"Cl"
],
"chemical_system": "Ag-Au-Cl-N",
"density": 2.649578758895232,
"density_atomic": 0.029916874510002446,
"volume": 935.9266453665955,
"volume_molar": 20.129578569400856,
"formula_full": "Ag2 Au3 N6 Cl17",
"formula_reduced": "Ag2Au3N6Cl17",
"formula_anonymous": "A2B3C6D17",
"energy": -86.84459293,
"energy_per_atom": -3.1015926046428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.24059293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.7004265,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.344000Z",
"spacegroup": 71
},
{
"id": "mp-1247866",
"created_at": "2022-09-04T14:40:41.354879Z",
"structure_string": "Ag8 B32 O52\n1.0\n8.481365 0.000000 0.000000\n0.000000 10.539706 -2.038900\n0.000000 -0.029568 11.589333\nAg B O\n8 32 52\ndirect\n0.124464 0.814975 0.618486 Ag\n0.133171 0.461766 0.925060 Ag\n0.368108 0.961162 0.925947 Ag\n0.413797 0.305650 0.614773 Ag\n0.624464 0.685025 0.381514 Ag\n0.633171 0.038234 0.074940 Ag\n0.868108 0.538838 0.074053 Ag\n0.913797 0.194350 0.385227 Ag\n0.004096 0.540469 0.709758 B\n0.041555 0.697829 0.327788 B\n0.072346 0.891848 0.242882 B\n0.077519 0.740847 0.872049 B\n0.094236 0.065658 0.124542 B\n0.114332 0.106442 0.599965 B\n0.169703 0.219436 0.004312 B\n0.179137 0.552762 0.439933 B\n0.320446 0.052539 0.439721 B\n0.330549 0.719718 0.004727 B\n0.385876 0.604747 0.599485 B\n0.406259 0.566387 0.125301 B\n0.422963 0.241273 0.872626 B\n0.429127 0.391465 0.241917 B\n0.456361 0.197738 0.327625 B\n0.496423 0.040678 0.710251 B\n0.504096 0.959531 0.290242 B\n0.541555 0.802171 0.672212 B\n0.572346 0.608152 0.757118 B\n0.577519 0.759153 0.127951 B\n0.594236 0.434342 0.875458 B\n0.614332 0.393558 0.400035 B\n0.669703 0.280564 0.995688 B\n0.679137 0.947238 0.560067 B\n0.820446 0.447461 0.560279 B\n0.830549 0.780282 0.995273 B\n0.885876 0.895253 0.400515 B\n0.906259 0.933613 0.874699 B\n0.922963 0.258727 0.127374 B\n0.929126 0.108535 0.758083 B\n0.956361 0.302262 0.672375 B\n0.996423 0.459322 0.289749 B\n0.036147 0.042013 0.676636 O\n0.022061 0.423133 0.739725 O\n0.040384 0.291003 0.044768 O\n0.034493 0.863073 0.834774 O\n0.085607 0.230330 0.599186 O\n0.096671 0.447304 0.382041 O\n0.088371 0.642580 0.765056 O\n0.111262 0.770839 0.246006 O\n0.134577 0.953560 0.158476 O\n0.159858 0.670575 0.414589 O\n0.193080 0.102154 0.039529 O\n0.217750 0.029492 0.526206 O\n0.265771 0.261133 0.926843 O\n0.234761 0.761035 0.926833 O\n0.283672 0.528559 0.524682 O\n0.306951 0.602775 0.040419 O\n0.335905 0.169943 0.412771 O\n0.365451 0.454128 0.158792 O\n0.388407 0.270911 0.245341 O\n0.412817 0.143491 0.764947 O\n0.404304 0.947620 0.382987 O\n0.409160 0.730460 0.602700 O\n0.466332 0.363418 0.835075 O\n0.459837 0.791325 0.045261 O\n0.476889 0.923419 0.739810 O\n0.468613 0.540000 0.673734 O\n0.536147 0.457987 0.323364 O\n0.522061 0.076867 0.260275 O\n0.540384 0.208997 0.955232 O\n0.534493 0.636927 0.165226 O\n0.585607 0.269670 0.400814 O\n0.596671 0.052696 0.617959 O\n0.588371 0.857420 0.234944 O\n0.611262 0.729161 0.753994 O\n0.634577 0.546440 0.841524 O\n0.659858 0.829425 0.585411 O\n0.693080 0.397846 0.960471 O\n0.717750 0.470508 0.473794 O\n0.765771 0.238867 0.073157 O\n0.734761 0.738965 0.073167 O\n0.783672 0.971441 0.475318 O\n0.806951 0.897225 0.959581 O\n0.835905 0.330057 0.587229 O\n0.865451 0.045872 0.841208 O\n0.888407 0.229089 0.754659 O\n0.912817 0.356509 0.235053 O\n0.904304 0.552380 0.617013 O\n0.909160 0.769540 0.397300 O\n0.966332 0.136582 0.164925 O\n0.959837 0.708675 0.954739 O\n0.976889 0.576581 0.260190 O\n0.968613 0.960000 0.326266 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 3.2728445633339196,
"density_atomic": 0.08884838419890732,
"volume": 1035.4718414916479,
"volume_molar": 6.777996937477295,
"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
"formula_anonymous": "A2B8C13",
"energy": -724.07643936,
"energy_per_atom": -7.87039608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -688.35243936,
"band_gap": 2.9324,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.370000Z",
"spacegroup": 4
},
{
"id": "mp-759792",
"created_at": "2022-09-04T14:40:36.584065Z",
"structure_string": "Ag8 B32 O52\n1.0\n7.898226 0.000000 0.000000\n0.001662 10.663953 0.000000\n0.001414 2.044047 11.864162\nAg B O\n8 32 52\ndirect\n0.137376 0.463992 0.084600 Ag\n0.362537 0.963908 0.085163 Ag\n0.390827 0.311647 0.382716 Ag\n0.071155 0.802107 0.389916 Ag\n0.927464 0.197690 0.610334 Ag\n0.571540 0.697689 0.610211 Ag\n0.637476 0.036165 0.914759 Ag\n0.862350 0.536153 0.914849 Ag\n0.659177 0.278254 0.004199 B\n0.840942 0.778279 0.004280 B\n0.414093 0.237359 0.137768 B\n0.594758 0.434727 0.124686 B\n0.085994 0.737718 0.137911 B\n0.918241 0.110808 0.239300 B\n0.905245 0.934746 0.124664 B\n0.489653 0.041794 0.296935 B\n0.581520 0.611001 0.239232 B\n0.948970 0.304967 0.327139 B\n0.010247 0.541761 0.296726 B\n0.106868 0.102225 0.397289 B\n0.550309 0.805024 0.327213 B\n0.393098 0.603585 0.397185 B\n0.813576 0.451778 0.441550 B\n0.314211 0.048175 0.558443 B\n0.686015 0.952067 0.441461 B\n0.185980 0.547991 0.558547 B\n0.606829 0.396675 0.602764 B\n0.450341 0.195590 0.672560 B\n0.892978 0.897079 0.602806 B\n0.989369 0.458381 0.703282 B\n0.050102 0.695370 0.672799 B\n0.418497 0.389258 0.760534 B\n0.510602 0.958511 0.703255 B\n0.094774 0.065268 0.875296 B\n0.081514 0.889303 0.760654 B\n0.914071 0.262328 0.862039 B\n0.405289 0.565212 0.875308 B\n0.585930 0.762379 0.861994 B\n0.159000 0.221723 0.995642 B\n0.340950 0.721787 0.995705 B\n0.536880 0.199604 0.058235 O\n0.688301 0.397535 0.036619 O\n0.244189 0.255751 0.084141 O\n0.859789 0.050551 0.153638 O\n0.963237 0.699663 0.058362 O\n0.811849 0.897595 0.036530 O\n0.255780 0.755727 0.084215 O\n0.463297 0.361942 0.170703 O\n0.640285 0.550404 0.153721 O\n0.401737 0.144960 0.243188 O\n0.878102 0.233312 0.244363 O\n0.036304 0.861862 0.171193 O\n0.019860 0.039790 0.322575 O\n0.027478 0.423844 0.266236 O\n0.097804 0.645144 0.243570 O\n0.621962 0.733283 0.244438 O\n0.592632 0.055370 0.388303 O\n0.479181 0.540505 0.322310 O\n0.473092 0.924062 0.266135 O\n0.084159 0.228841 0.397659 O\n0.820483 0.336162 0.407878 O\n0.907056 0.555394 0.388126 O\n0.212384 0.024283 0.470081 O\n0.416260 0.729492 0.398112 O\n0.680545 0.836300 0.407680 O\n0.287394 0.524743 0.469771 O\n0.712165 0.475238 0.529909 O\n0.319469 0.163741 0.592295 O\n0.584395 0.270572 0.602812 O\n0.787718 0.975415 0.529952 O\n0.092434 0.444658 0.611602 O\n0.180465 0.663643 0.592340 O\n0.916394 0.770871 0.602051 O\n0.526872 0.076054 0.733974 O\n0.519946 0.460188 0.677253 O\n0.407683 0.944732 0.611613 O\n0.378025 0.266877 0.755533 O\n0.902376 0.354854 0.756437 O\n0.973075 0.576140 0.733913 O\n0.979682 0.960057 0.677519 O\n0.963709 0.138115 0.828877 O\n0.121884 0.766764 0.755575 O\n0.597770 0.854757 0.756396 O\n0.359783 0.449557 0.846365 O\n0.536377 0.638110 0.828896 O\n0.744271 0.244295 0.915800 O\n0.188172 0.102404 0.963484 O\n0.036742 0.300337 0.941704 O\n0.140238 0.949472 0.846353 O\n0.755769 0.744246 0.915817 O\n0.311851 0.602442 0.963471 O\n0.463245 0.800337 0.941688 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 3.3913985190782046,
"density_atomic": 0.0920667855633579,
"volume": 999.27459655565,
"volume_molar": 6.541056824293842,
"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
"formula_anonymous": "A2B8C13",
"energy": -723.69587663,
"energy_per_atom": -7.866259528586957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -687.97187663,
"band_gap": 2.858,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.122000Z",
"spacegroup": 1
}
]
}