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{
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"results": [
{
"id": "mp-1205436",
"created_at": "2022-09-04T14:42:11.607948Z",
"structure_string": "Fe12 C4\n1.0\n-4.203356 4.203356 2.112064\n4.203356 -4.203356 2.112064\n4.203356 4.203356 -2.112064\nFe C\n12 4\ndirect\n0.500000 0.856090 0.356090 Fe\n0.500000 0.143910 0.643910 Fe\n0.143910 0.500000 0.643910 Fe\n0.856090 0.500000 0.356090 Fe\n0.993570 0.993570 0.391498 Fe\n0.602072 0.602072 0.608502 Fe\n0.006430 0.397928 0.000000 Fe\n0.397928 0.006430 0.000000 Fe\n0.163233 0.163233 0.803772 Fe\n0.359460 0.359460 0.196228 Fe\n0.836767 0.640540 0.000000 Fe\n0.640540 0.836767 0.000000 Fe\n0.710001 0.000000 0.710001 C\n0.289999 0.000000 0.289999 C\n0.000000 0.710001 0.710001 C\n0.000000 0.289999 0.289999 C\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"C"
],
"chemical_system": "C-Fe",
"density": 7.989593513652556,
"density_atomic": 0.10719155462041365,
"volume": 149.2654907064194,
"volume_molar": 5.618111222778309,
"formula_full": "Fe12 C4",
"formula_reduced": "Fe3C",
"formula_anonymous": "AB3",
"energy": -135.99315285,
"energy_per_atom": -8.499572053125,
"energy_above_hull": null,
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"energy_uncorrected": -135.99315285,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.817000Z",
"spacegroup": 121
},
{
"id": "mp-1094284",
"created_at": "2022-09-04T14:43:12.145049Z",
"structure_string": "Sr2 Mg4\n1.0\n2.014004 6.476563 0.000000\n-2.014004 6.476563 0.000000\n0.000000 0.387895 7.831197\nSr Mg\n2 4\ndirect\n0.655166 0.655166 0.275262 Sr\n0.914768 0.914768 0.601656 Sr\n0.987128 0.987128 0.013687 Mg\n0.378469 0.378469 0.252947 Mg\n0.624012 0.624012 0.768161 Mg\n0.273789 0.273789 0.921620 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.2145667842900667,
"density_atomic": 0.029368933939713987,
"volume": 204.2975074381754,
"volume_molar": 20.50513911183065,
"formula_full": "Sr2 Mg4",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy": -9.29053479,
"energy_per_atom": -1.548422465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.29053479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.412000Z",
"spacegroup": 8
},
{
"id": "mp-1147573",
"created_at": "2022-09-04T14:42:14.659476Z",
"structure_string": "Ga2 Co1 S2 O2\n1.0\n-1.886226 1.886226 8.332635\n1.886226 -1.886226 8.332635\n1.886226 1.886226 -8.332635\nGa Co S O\n2 1 2 2\ndirect\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.855779 0.855779 0.000000 S\n0.144221 0.144221 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ga",
"Co",
"S",
"O"
],
"chemical_system": "Co-Ga-O-S",
"density": 4.123978408086833,
"density_atomic": 0.05902938197415488,
"volume": 118.58501251232553,
"volume_molar": 10.20193767679408,
"formula_full": "Ga2 Co1 S2 O2",
"formula_reduced": "Ga2Co(SO)2",
"formula_anonymous": "AB2C2D2",
"energy": -33.16898602,
"energy_per_atom": -4.738426574285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.150986020000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7391776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.121000Z",
"spacegroup": 139
},
{
"id": "mp-1210391",
"created_at": "2022-09-04T14:42:11.604177Z",
"structure_string": "Ni1 Ag4 P6 H6 O18\n1.0\n-6.691418 0.000000 0.000000\n-0.111244 -8.047169 0.000000\n2.531947 1.304656 8.705454\nNi Ag P H O\n1 4 6 6 18\ndirect\n0.000000 0.000000 0.000000 Ni\n0.372547 0.724529 0.574943 Ag\n0.627453 0.275471 0.425057 Ag\n0.188663 0.389879 0.141910 Ag\n0.811337 0.610121 0.858090 Ag\n0.713044 0.555887 0.199312 P\n0.286956 0.444113 0.800688 P\n0.847528 0.732394 0.515424 P\n0.152472 0.267606 0.484576 P\n0.509331 0.856972 0.287826 P\n0.490669 0.143028 0.712174 P\n0.914693 0.990320 0.142783 H\n0.085307 0.009680 0.857217 H\n0.950726 0.090909 0.151206 H\n0.049274 0.909091 0.848794 H\n0.912100 0.816600 0.963739 H\n0.087900 0.183400 0.036261 H\n0.603613 0.731515 0.165945 O\n0.396387 0.268485 0.834055 O\n0.713610 0.647764 0.596359 O\n0.286390 0.352236 0.403641 O\n0.939895 0.208526 0.387726 O\n0.060105 0.791474 0.612274 O\n0.876656 0.606512 0.368601 O\n0.123344 0.393488 0.631399 O\n0.719111 0.882046 0.437790 O\n0.280889 0.117954 0.562210 O\n0.344407 0.759954 0.327151 O\n0.655593 0.240046 0.672849 O\n0.841347 0.511628 0.088417 O\n0.158653 0.488372 0.911583 O\n0.560037 0.426357 0.211931 O\n0.439963 0.573643 0.788069 O\n0.530988 0.978099 0.767259 O\n0.469012 0.021901 0.232741 O\n",
"nsites": 35,
"nelements": 5,
"elements": [
"Ni",
"Ag",
"P",
"H",
"O"
],
"chemical_system": "Ag-H-Ni-O-P",
"density": 3.436280008773384,
"density_atomic": 0.07466470214563,
"volume": 468.7623333946226,
"volume_molar": 8.065579299109903,
"formula_full": "Ni1 Ag4 P6 H6 O18",
"formula_reduced": "NiAg4P6(HO3)6",
"formula_anonymous": "AB4C6D6E18",
"energy": -214.62879932,
"energy_per_atom": -6.1322514091428575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.64779932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0038025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.456000Z",
"spacegroup": 2
},
{
"id": "mp-772645",
"created_at": "2022-09-04T14:42:22.578251Z",
"structure_string": "Li12 Mn12 Si18 O54\n1.0\n5.090097 -8.816307 0.000000\n5.090097 8.816307 0.000000\n0.000000 0.000000 12.520503\nLi Mn Si O\n12 12 18 54\ndirect\n0.469733 0.619701 0.185891 Li\n0.634185 0.495055 0.017657 Li\n0.504945 0.139130 0.684324 Li\n0.380299 0.850032 0.852558 Li\n0.860870 0.365815 0.350991 Li\n0.506516 0.712437 0.681731 Li\n0.675898 0.008933 0.749592 Li\n0.149968 0.530267 0.519224 Li\n0.205921 0.493484 0.015064 Li\n0.991067 0.666965 0.416258 Li\n0.333035 0.324102 0.082925 Li\n0.287563 0.794079 0.348398 Li\n0.646035 0.478363 0.489220 Mn\n0.521637 0.167672 0.155887 Mn\n0.832328 0.353965 0.822553 Mn\n0.668115 0.974299 0.254717 Mn\n0.700942 0.005114 0.001457 Mn\n0.819270 0.829537 0.840514 Mn\n0.010268 0.180730 0.173847 Mn\n0.306184 0.331885 0.588051 Mn\n0.304172 0.299058 0.334791 Mn\n0.994886 0.695828 0.668124 Mn\n0.025701 0.693816 0.921384 Mn\n0.170463 0.989732 0.507181 Mn\n0.472522 0.623320 0.917214 Si\n0.617675 0.474832 0.758304 Si\n0.501910 0.174551 0.901430 Si\n0.672641 0.498090 0.234763 Si\n0.376680 0.849202 0.583881 Si\n0.525168 0.142843 0.424971 Si\n0.501755 0.672609 0.439180 Si\n0.825449 0.327359 0.568097 Si\n0.857157 0.382325 0.091638 Si\n0.955251 0.158182 0.448068 Si\n0.799587 0.852516 0.568725 Si\n0.150798 0.527478 0.250548 Si\n0.170854 0.498245 0.772513 Si\n0.052930 0.200413 0.902059 Si\n0.841818 0.797070 0.114735 Si\n0.202930 0.044749 0.781401 Si\n0.147484 0.947070 0.235392 Si\n0.327391 0.829146 0.105847 Si\n0.409391 0.487923 0.443406 O\n0.433945 0.545391 0.033886 O\n0.536415 0.537570 0.839765 O\n0.492113 0.376882 0.227985 O\n0.421449 0.220462 0.442113 O\n0.343348 0.037814 0.846618 O\n0.545188 0.445783 0.639553 O\n0.479998 0.245123 0.010987 O\n0.694466 0.656652 0.179952 O\n0.569717 0.304546 0.804986 O\n0.462430 0.998844 0.506432 O\n0.765124 0.520002 0.344320 O\n0.454609 0.888554 0.700553 O\n0.554217 0.099405 0.306219 O\n0.799013 0.578551 0.775446 O\n0.734830 0.430283 0.138320 O\n0.623118 0.115231 0.894651 O\n0.512077 0.921467 0.110072 O\n0.415998 0.724372 0.528643 O\n0.695454 0.265170 0.471653 O\n0.523295 0.758374 0.326831 O\n0.754877 0.234876 0.677654 O\n0.884769 0.507887 0.561318 O\n0.900595 0.454812 0.972886 O\n0.588792 0.803059 0.903449 O\n0.779538 0.200987 0.108779 O\n0.001156 0.463585 0.173098 O\n0.962186 0.305534 0.513285 O\n0.667205 0.711287 0.494251 O\n0.078533 0.590609 0.776739 O\n0.893574 0.157289 0.326536 O\n0.729886 0.842316 0.687627 O\n0.111446 0.566055 0.367220 O\n0.823966 0.007033 0.509348 O\n0.820995 0.945486 0.131101 O\n0.885628 0.052643 0.893155 O\n0.044081 0.332795 0.827584 O\n0.842711 0.736285 0.993202 O\n0.112430 0.270114 0.020960 O\n0.235079 0.476705 0.660165 O\n0.214267 0.411208 0.236782 O\n0.947357 0.832984 0.559821 O\n0.124491 0.179005 0.464435 O\n0.308374 0.584002 0.861977 O\n0.992967 0.816933 0.176014 O\n0.183067 0.176034 0.842681 O\n0.167016 0.114372 0.226488 O\n0.054514 0.875509 0.797768 O\n0.157684 0.887570 0.354293 O\n0.263715 0.106426 0.659869 O\n0.196941 0.785733 0.570116 O\n0.288713 0.955919 0.160917 O\n0.241626 0.764921 0.993498 O\n0.275628 0.691626 0.195310 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.12097158144819,
"density_atomic": 0.08542927042529057,
"volume": 1123.7366247199047,
"volume_molar": 7.049270970031835,
"formula_full": "Li12 Mn12 Si18 O54",
"formula_reduced": "Li2Mn2(SiO3)3",
"formula_anonymous": "A2B2C3D9",
"energy": -764.3619557200001,
"energy_per_atom": -7.962103705416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -707.24795572,
"band_gap": 2.8280000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.245000Z",
"spacegroup": 145
},
{
"id": "mp-1178128",
"created_at": "2022-09-04T14:42:11.638537Z",
"structure_string": "La12 Mn4 O28\n1.0\n5.394078 0.000000 0.000000\n0.000000 5.424089 0.000000\n0.000000 5.368351 20.419433\nLa Mn O\n12 4 28\ndirect\n0.245779 0.417804 0.822434 La\n0.244678 0.070705 0.177052 La\n0.250130 0.249271 0.000353 La\n0.249870 0.249271 0.500353 La\n0.255322 0.070705 0.677052 La\n0.254221 0.417804 0.322434 La\n0.745779 0.582196 0.677566 La\n0.744678 0.929295 0.322948 La\n0.750130 0.750729 0.499647 La\n0.749870 0.750729 0.999647 La\n0.755322 0.929295 0.822948 La\n0.754221 0.582196 0.177566 La\n0.246137 0.650527 0.594860 Mn\n0.253863 0.650527 0.094860 Mn\n0.746137 0.349473 0.905140 Mn\n0.753863 0.349473 0.405140 Mn\n0.998018 0.597943 0.396398 O\n0.003665 0.409632 0.096450 O\n0.001982 0.402057 0.603602 O\n0.003710 0.897248 0.596502 O\n0.994586 0.098463 0.909956 O\n0.996335 0.590368 0.903550 O\n0.005414 0.901537 0.090044 O\n0.996290 0.102752 0.403498 O\n0.227230 0.721030 0.505427 O\n0.233679 0.565570 0.199912 O\n0.228995 0.986594 0.788071 O\n0.266321 0.565570 0.699912 O\n0.271005 0.986594 0.288071 O\n0.272770 0.721030 0.005427 O\n0.501982 0.597943 0.896398 O\n0.494586 0.901537 0.590044 O\n0.503710 0.102752 0.903498 O\n0.496335 0.409632 0.596450 O\n0.496290 0.897248 0.096502 O\n0.498018 0.402057 0.103602 O\n0.503665 0.590368 0.403550 O\n0.505414 0.098463 0.409956 O\n0.727230 0.278970 0.994573 O\n0.733679 0.434430 0.300088 O\n0.728995 0.013406 0.711929 O\n0.766321 0.434430 0.800088 O\n0.771005 0.013406 0.211929 O\n0.772770 0.278970 0.494573 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.488944515487487,
"density_atomic": 0.07364868022984061,
"volume": 597.4309364768806,
"volume_molar": 8.17684816782362,
"formula_full": "La12 Mn4 O28",
"formula_reduced": "La3MnO7",
"formula_anonymous": "AB3C7",
"energy": -369.56712566,
"energy_per_atom": -8.39925285590909,
"energy_above_hull": null,
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"energy_uncorrected": -343.65912566,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0089308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.809000Z",
"spacegroup": 14
},
{
"id": "mp-1244918",
"created_at": "2022-09-04T14:42:11.650289Z",
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{
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{
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{
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{
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"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n-5.038531 0.000000 0.000000\n-0.045835 -8.692622 0.000000\n1.713495 2.731886 19.224708\nLi Mn Cr O\n32 3 13 48\ndirect\n0.989340 0.169163 0.250001 Li\n0.874895 0.375478 0.375144 Li\n0.751081 0.250588 0.000092 Li\n0.743333 0.920126 0.999667 Li\n0.993474 0.169434 0.748911 Li\n0.757593 0.580443 0.499995 Li\n0.873793 0.376360 0.875228 Li\n0.751673 0.249515 0.500180 Li\n0.742390 0.920696 0.499215 Li\n0.626617 0.125503 0.124676 Li\n0.757881 0.578870 0.999371 Li\n0.511325 0.331513 0.250424 Li\n0.624739 0.126652 0.625195 Li\n0.501875 0.000578 0.250597 Li\n0.489867 0.668695 0.249545 Li\n0.506920 0.330567 0.749349 Li\n0.373583 0.874338 0.374987 Li\n0.500160 0.000161 0.750013 Li\n0.248409 0.750124 0.999295 Li\n0.493353 0.669232 0.750523 Li\n0.240893 0.418928 0.999752 Li\n0.375768 0.874356 0.874742 Li\n0.254679 0.080113 0.500254 Li\n0.252201 0.748440 0.499972 Li\n0.122794 0.623926 0.125198 Li\n0.243668 0.421819 0.500953 Li\n0.007851 0.830913 0.250604 Li\n0.258141 0.079342 0.000378 Li\n0.127112 0.623132 0.624759 Li\n0.999129 0.500884 0.249743 Li\n0.006113 0.830760 0.751132 Li\n0.000135 0.499292 0.749955 Li\n0.874753 0.041711 0.374729 Mn\n0.871823 0.708966 0.873937 Mn\n0.128381 0.290714 0.625962 Mn\n0.873388 0.711952 0.375493 Cr\n0.880351 0.045596 0.875346 Cr\n0.628023 0.796869 0.125997 Cr\n0.620047 0.461112 0.125468 Cr\n0.621635 0.796124 0.623878 Cr\n0.629982 0.458901 0.625255 Cr\n0.381255 0.539330 0.375468 Cr\n0.367360 0.206320 0.374629 Cr\n0.370389 0.541631 0.874603 Cr\n0.379364 0.205079 0.876092 Cr\n0.122446 0.952628 0.124083 Cr\n0.129733 0.288529 0.124559 Cr\n0.120759 0.953960 0.624638 Cr\n0.963655 0.101922 0.068522 O\n0.936182 0.786983 0.068815 O\n0.926233 0.427028 0.068178 O\n0.966015 0.107867 0.569614 O\n0.813737 0.962883 0.181216 O\n0.823971 0.323351 0.181937 O\n0.934546 0.788789 0.568378 O\n0.926578 0.426511 0.568293 O\n0.786214 0.647920 0.181634 O\n0.713570 0.858003 0.319208 O\n0.814967 0.959491 0.681406 O\n0.827319 0.320052 0.682518 O\n0.669248 0.535935 0.318940 O\n0.679916 0.178073 0.317912 O\n0.779159 0.640623 0.680194 O\n0.711319 0.856035 0.819066 O\n0.468732 0.605800 0.069600 O\n0.582559 0.715659 0.431281 O\n0.574356 0.073928 0.431526 O\n0.680799 0.535380 0.818995 O\n0.682261 0.173043 0.817833 O\n0.433445 0.922837 0.067298 O\n0.418279 0.283875 0.068879 O\n0.532918 0.395248 0.431368 O\n0.465003 0.609614 0.568423 O\n0.572680 0.712370 0.930522 O\n0.568139 0.073667 0.932798 O\n0.316669 0.826740 0.182758 O\n0.331168 0.466241 0.181292 O\n0.432996 0.925865 0.566976 O\n0.427138 0.287290 0.569353 O\n0.534034 0.391002 0.931720 O\n0.281225 0.143836 0.180396 O\n0.218661 0.352145 0.318545 O\n0.316232 0.826930 0.682382 O\n0.320271 0.464396 0.681052 O\n0.172541 0.676576 0.318132 O\n0.174005 0.033322 0.318682 O\n0.288445 0.143296 0.680886 O\n0.220166 0.359723 0.819684 O\n0.076265 0.573041 0.432074 O\n0.070256 0.213857 0.430408 O\n0.172763 0.679433 0.817595 O\n0.183459 0.040313 0.818716 O\n0.038513 0.896842 0.431317 O\n0.072518 0.573147 0.931743 O\n0.067172 0.211899 0.931474 O\n0.033224 0.891852 0.930477 O\n",
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{
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}
]
}