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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10162",
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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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],
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"spacegroup": 14
},
{
"id": "mp-759330",
"created_at": "2022-09-04T14:47:44.125164Z",
"structure_string": "Rb16 Ge36 H60 N20\n1.0\n15.330133 0.000000 0.000000\n0.000000 9.180257 0.000000\n0.000000 0.581481 17.285263\nRb Ge H N\n16 36 60 20\ndirect\n0.279331 0.813283 0.907335 Rb\n0.220669 0.813283 0.407335 Rb\n0.550829 0.746914 0.753224 Rb\n0.949171 0.746914 0.253224 Rb\n0.226928 0.723314 0.647243 Rb\n0.273072 0.723314 0.147243 Rb\n0.647562 0.550563 0.550186 Rb\n0.852438 0.550563 0.050186 Rb\n0.147562 0.449437 0.949814 Rb\n0.352438 0.449437 0.449814 Rb\n0.726928 0.276686 0.852757 Rb\n0.773072 0.276686 0.352757 Rb\n0.050829 0.253086 0.746776 Rb\n0.449171 0.253086 0.246776 Rb\n0.779331 0.186717 0.592665 Rb\n0.720669 0.186717 0.092665 Rb\n0.845055 0.959555 0.764719 Ge\n0.654945 0.959555 0.264719 Ge\n0.990858 0.896491 0.690394 Ge\n0.509142 0.896491 0.190394 Ge\n0.920271 0.817045 0.880229 Ge\n0.579729 0.817045 0.380229 Ge\n0.841492 0.775661 0.652453 Ge\n0.658508 0.775661 0.152453 Ge\n0.057193 0.727617 0.801685 Ge\n0.782036 0.704593 0.810536 Ge\n0.442807 0.727617 0.301685 Ge\n0.717964 0.704593 0.310536 Ge\n0.992882 0.615965 0.674539 Ge\n0.507118 0.615965 0.174539 Ge\n0.931616 0.546235 0.839093 Ge\n0.568384 0.546235 0.339093 Ge\n0.839474 0.512421 0.713313 Ge\n0.339474 0.487579 0.786687 Ge\n0.660526 0.512421 0.213313 Ge\n0.160526 0.487579 0.286687 Ge\n0.431616 0.453765 0.660907 Ge\n0.068384 0.453765 0.160907 Ge\n0.492882 0.384035 0.825461 Ge\n0.007118 0.384035 0.325461 Ge\n0.282036 0.295407 0.689464 Ge\n0.557193 0.272383 0.698315 Ge\n0.217964 0.295407 0.189464 Ge\n0.942807 0.272383 0.198315 Ge\n0.341492 0.224339 0.847547 Ge\n0.158508 0.224339 0.347547 Ge\n0.420271 0.182955 0.619771 Ge\n0.079729 0.182955 0.119771 Ge\n0.490858 0.103509 0.809606 Ge\n0.009142 0.103509 0.309606 Ge\n0.345055 0.040445 0.735281 Ge\n0.154945 0.040445 0.235281 Ge\n0.134167 0.995544 0.585520 H\n0.580269 0.977526 0.607463 H\n0.365833 0.995544 0.085520 H\n0.919731 0.977526 0.107463 H\n0.659492 0.925994 0.997812 H\n0.728279 0.920485 0.925846 H\n0.840508 0.925994 0.497812 H\n0.771721 0.920485 0.425846 H\n0.671115 0.879212 0.609405 H\n0.377253 0.878622 0.546998 H\n0.828885 0.879212 0.109405 H\n0.500181 0.834062 0.998674 H\n0.595940 0.855151 0.541906 H\n0.122747 0.878622 0.046998 H\n0.478920 0.838692 0.905857 H\n0.999819 0.834062 0.498674 H\n0.904060 0.855151 0.041906 H\n0.021080 0.838692 0.405857 H\n0.074974 0.796188 0.976264 H\n0.425026 0.796188 0.476264 H\n0.413928 0.711665 0.560578 H\n0.510479 0.684979 0.950468 H\n0.086072 0.711665 0.060578 H\n0.989521 0.684979 0.450468 H\n0.660932 0.574965 0.945326 H\n0.839068 0.574965 0.445326 H\n0.111391 0.573133 0.520634 H\n0.388609 0.573133 0.020634 H\n0.845865 0.540934 0.539089 H\n0.654135 0.540934 0.039089 H\n0.345865 0.459066 0.960911 H\n0.154135 0.459066 0.460911 H\n0.611391 0.426867 0.979366 H\n0.888609 0.426867 0.479366 H\n0.160932 0.425035 0.554674 H\n0.339068 0.425035 0.054674 H\n0.010479 0.315021 0.549532 H\n0.913928 0.288335 0.939422 H\n0.489521 0.315021 0.049532 H\n0.586072 0.288335 0.439422 H\n0.574974 0.203812 0.523736 H\n0.925026 0.203812 0.023736 H\n0.978920 0.161308 0.594143 H\n0.095940 0.144849 0.958094 H\n0.000181 0.165938 0.501326 H\n0.521080 0.161308 0.094143 H\n0.877253 0.121378 0.953002 H\n0.404060 0.144849 0.458094 H\n0.499819 0.165938 0.001326 H\n0.171115 0.120788 0.890595 H\n0.622747 0.121378 0.453002 H\n0.328885 0.120788 0.390595 H\n0.228279 0.079515 0.574154 H\n0.159492 0.074006 0.502188 H\n0.271721 0.079515 0.074154 H\n0.340508 0.074006 0.002188 H\n0.080269 0.022474 0.892537 H\n0.634167 0.004456 0.914480 H\n0.419731 0.022474 0.392537 H\n0.865833 0.004456 0.414480 H\n0.685091 0.987968 0.952666 N\n0.814909 0.987968 0.452666 N\n0.604976 0.874938 0.599746 N\n0.895024 0.874938 0.099746 N\n0.472213 0.775405 0.955789 N\n0.381875 0.779508 0.521099 N\n0.027787 0.775405 0.455789 N\n0.118125 0.779508 0.021099 N\n0.664497 0.492632 0.986806 N\n0.164497 0.507368 0.513194 N\n0.835503 0.492632 0.486806 N\n0.335503 0.507368 0.013194 N\n0.881875 0.220492 0.978901 N\n0.972213 0.224595 0.544211 N\n0.618125 0.220492 0.478901 N\n0.527787 0.224595 0.044211 N\n0.104976 0.125062 0.900254 N\n0.395024 0.125062 0.400254 N\n0.185091 0.012032 0.547334 N\n0.314909 0.012032 0.047334 N\n",
"nsites": 132,
"nelements": 4,
"elements": [
"Rb",
"Ge",
"H",
"N"
],
"chemical_system": "Ge-H-N-Rb",
"density": 2.951013262037641,
"density_atomic": 0.05426217245364357,
"volume": 2432.633896344055,
"volume_molar": 11.09823010706905,
"formula_full": "Rb16 Ge36 H60 N20",
"formula_reduced": "Rb4Ge9(H3N)5",
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"energy": -602.23819139,
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"updated_at": "2021-11-28T01:38:22.966000Z",
"spacegroup": 14
},
{
"id": "mp-1219890",
"created_at": "2022-09-04T14:42:11.225157Z",
"structure_string": "Rb3 Ge7 H1 O20\n1.0\n5.583727 -5.537913 0.000000\n5.583727 5.537913 0.000000\n0.091251 0.000000 7.863724\nRb Ge H O\n3 7 1 20\ndirect\n0.986099 0.476874 0.986099 Rb\n0.986099 0.986099 0.476874 Rb\n0.476874 0.986099 0.986099 Rb\n0.982804 0.487711 0.487711 Ge\n0.487711 0.982804 0.487711 Ge\n0.487711 0.487711 0.982804 Ge\n0.352372 0.352372 0.352372 Ge\n0.325853 0.637364 0.637364 Ge\n0.637364 0.637364 0.325853 Ge\n0.637364 0.325853 0.637364 Ge\n0.548837 0.548837 0.548837 H\n0.820332 0.820332 0.820332 O\n0.795654 0.229819 0.229819 O\n0.229819 0.229819 0.795654 O\n0.229819 0.795654 0.229819 O\n0.118188 0.360820 0.360820 O\n0.360820 0.118188 0.360820 O\n0.360820 0.360820 0.118188 O\n0.097673 0.623893 0.623893 O\n0.346036 0.867692 0.621618 O\n0.346036 0.621618 0.867692 O\n0.867692 0.621618 0.346036 O\n0.621618 0.867692 0.346036 O\n0.623893 0.623893 0.097673 O\n0.867692 0.346036 0.621618 O\n0.623893 0.097673 0.623893 O\n0.621618 0.346036 0.867692 O\n0.619929 0.619929 0.619929 O\n0.608705 0.381988 0.381988 O\n0.381988 0.381988 0.608705 O\n0.381988 0.608705 0.381988 O\n",
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"elements": [
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],
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"formula_full": "Rb3 Ge7 H1 O20",
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"spacegroup": 160
},
{
"id": "mp-549697",
"created_at": "2022-09-04T14:40:10.918503Z",
"structure_string": "Rb1 Ge1 I1 O6\n1.0\n2.557169 -4.429146 0.000000\n2.557169 4.429146 0.000000\n0.000000 0.000000 6.525552\nRb Ge I O\n1 1 1 6\ndirect\n0.666667 0.333333 0.000000 Rb\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.500000 I\n0.052406 0.716684 0.332567 O\n0.052406 0.335722 0.667433 O\n0.664278 0.716684 0.667433 O\n0.283316 0.947594 0.667433 O\n0.664278 0.947594 0.332567 O\n0.283316 0.335722 0.332567 O\n",
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],
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},
{
"id": "mp-1195703",
"created_at": "2022-09-04T14:47:22.564252Z",
"structure_string": "Rb8 Ge2 P8 S24\n1.0\n4.130093 6.308082 0.000000\n-4.130093 6.308082 0.000000\n0.000000 4.504134 23.618010\nRb Ge P S\n8 2 8 24\ndirect\n0.831522 0.791901 0.548070 Rb\n0.208099 0.168478 0.951930 Rb\n0.168478 0.208099 0.451930 Rb\n0.791901 0.831522 0.048070 Rb\n0.666427 0.521378 0.814307 Rb\n0.478622 0.333573 0.685693 Rb\n0.333573 0.478622 0.185693 Rb\n0.521378 0.666427 0.314307 Rb\n0.025561 0.974439 0.750000 Ge\n0.974439 0.025561 0.250000 Ge\n0.109342 0.709287 0.871664 P\n0.290713 0.890658 0.628336 P\n0.890658 0.290713 0.128336 P\n0.709287 0.109342 0.371664 P\n0.082111 0.208947 0.616264 P\n0.791053 0.917889 0.883736 P\n0.917889 0.791053 0.383736 P\n0.208947 0.082111 0.116264 P\n0.214579 0.648761 0.945357 S\n0.351239 0.785421 0.554643 S\n0.785421 0.351239 0.054643 S\n0.648761 0.214579 0.445357 S\n0.143656 0.492630 0.827458 S\n0.507370 0.856344 0.672542 S\n0.856344 0.507370 0.172542 S\n0.492630 0.143656 0.327458 S\n0.091437 0.777978 0.681672 S\n0.222022 0.908563 0.818328 S\n0.908563 0.222022 0.318328 S\n0.777978 0.091437 0.181672 S\n0.234390 0.364753 0.579091 S\n0.635247 0.765610 0.920909 S\n0.765610 0.635247 0.420909 S\n0.364753 0.234390 0.079091 S\n0.849658 0.239223 0.581096 S\n0.760777 0.150342 0.918904 S\n0.150342 0.760777 0.418904 S\n0.239223 0.849658 0.081096 S\n0.008713 0.267940 0.705719 S\n0.732060 0.991287 0.794281 S\n0.991287 0.732060 0.294281 S\n0.267940 0.008713 0.205719 S\n",
"nsites": 42,
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"elements": [
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],
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"volume": 1230.638390519272,
"volume_molar": 17.64542288658787,
"formula_full": "Rb8 Ge2 P8 S24",
"formula_reduced": "Rb4Ge(PS3)4",
"formula_anonymous": "AB4C4D12",
"energy": -199.93848822,
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"updated_at": "2021-11-28T01:38:04.511000Z",
"spacegroup": 15
},
{
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{
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{
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{
"id": "mp-1201627",
"created_at": "2022-09-04T14:44:05.297333Z",
"structure_string": "Rb4 H16 C4 N12\n1.0\n7.054878 0.000000 0.000000\n0.000000 7.161731 0.000000\n0.000000 0.000000 7.595116\nRb H C N\n4 16 4 12\ndirect\n0.526545 0.250000 0.922868 Rb\n0.026545 0.250000 0.577132 Rb\n0.473455 0.750000 0.077132 Rb\n0.973455 0.750000 0.422868 Rb\n0.953462 0.128242 0.944577 H\n0.453462 0.371758 0.555423 H\n0.046538 0.628242 0.055423 H\n0.546538 0.871758 0.444577 H\n0.046538 0.871758 0.055423 H\n0.546538 0.628242 0.444577 H\n0.953462 0.371758 0.944577 H\n0.453462 0.128242 0.555423 H\n0.295628 0.098325 0.280905 H\n0.795628 0.401675 0.219095 H\n0.704372 0.598325 0.719095 H\n0.204372 0.901675 0.780905 H\n0.704372 0.901675 0.719095 H\n0.204372 0.598325 0.780905 H\n0.295628 0.401675 0.280905 H\n0.795628 0.098325 0.219095 H\n0.857446 0.750000 0.874612 C\n0.357446 0.750000 0.625388 C\n0.142554 0.250000 0.125388 C\n0.642554 0.250000 0.374612 C\n0.018680 0.250000 0.983583 N\n0.518680 0.250000 0.516417 N\n0.981320 0.750000 0.016417 N\n0.481320 0.750000 0.483583 N\n0.802461 0.579951 0.817404 N\n0.302461 0.920049 0.682596 N\n0.197539 0.079951 0.182596 N\n0.697539 0.420049 0.317404 N\n0.197539 0.420049 0.182596 N\n0.697539 0.079951 0.317404 N\n0.802461 0.920049 0.817404 N\n0.302461 0.579951 0.682596 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"H",
"C",
"N"
],
"chemical_system": "C-H-N-Rb",
"density": 2.484339469894582,
"density_atomic": 0.0938124713799175,
"volume": 383.7442876247107,
"volume_molar": 6.419339210894261,
"formula_full": "Rb4 H16 C4 N12",
"formula_reduced": "RbH4CN3",
"formula_anonymous": "ABC3D4",
"energy": -210.57133034,
"energy_per_atom": -5.8492036205555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.23933034,
"band_gap": 3.7127,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010844,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.936000Z",
"spacegroup": 62
}
]
}