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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=10145",
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"results": [
{
"id": "mp-1276416",
"created_at": "2022-09-04T14:39:45.172576Z",
"structure_string": "Mn4 Sb4 O16\n1.0\n5.661781 0.215052 -0.000696\n2.670419 5.002037 5.644439\n-1.176406 -7.386478 2.814729\nMn Sb O\n4 4 16\ndirect\n0.516957 0.501655 0.991805 Mn\n0.730167 0.749027 0.507600 Mn\n0.981267 0.996947 0.006690 Mn\n0.270213 0.251247 0.495077 Mn\n0.431315 0.188566 0.120459 Sb\n0.697794 0.435093 0.622144 Sb\n0.943496 0.686943 0.129766 Sb\n0.177736 0.939203 0.627401 Sb\n0.189124 0.146435 0.237620 O\n0.446642 0.383055 0.723660 O\n0.683467 0.628235 0.212835 O\n0.930031 0.892672 0.726218 O\n0.699035 0.225228 0.025712 O\n0.930052 0.501712 0.524030 O\n0.175603 0.750174 0.025282 O\n0.442966 0.973523 0.525455 O\n0.250870 0.056864 0.900152 O\n0.517587 0.302220 0.394438 O\n0.771183 0.548304 0.892404 O\n0.001219 0.800982 0.396474 O\n0.251924 0.451302 0.101221 O\n0.480707 0.694928 0.607703 O\n0.729012 0.945780 0.108047 O\n0.001634 0.199903 0.597806 O\n",
"nsites": 24,
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"elements": [
"Mn",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb",
"density": 5.112141810704251,
"density_atomic": 0.0767426537686993,
"volume": 312.73351677849814,
"volume_molar": 7.847188576708073,
"formula_full": "Mn4 Sb4 O16",
"formula_reduced": "MnSbO4",
"formula_anonymous": "ABC4",
"energy": -177.74540286,
"energy_per_atom": -7.406058452500001,
"energy_above_hull": null,
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"energy_uncorrected": -160.08140286,
"band_gap": 0.5969000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.074000Z",
"spacegroup": 1
},
{
"id": "mp-720835",
"created_at": "2022-09-04T14:39:45.188090Z",
"structure_string": "Mg10 H20 C8 O36\n1.0\n9.204065 0.000000 0.000000\n0.000000 8.409835 0.000000\n0.000000 4.209265 9.241275\nMg H C O\n10 20 8 36\ndirect\n0.569562 0.140558 0.344646 Mg\n0.069562 0.359442 0.655354 Mg\n0.430438 0.859442 0.655354 Mg\n0.930438 0.640558 0.344646 Mg\n0.931034 0.008353 0.345475 Mg\n0.431034 0.491647 0.654525 Mg\n0.068966 0.991647 0.654525 Mg\n0.568966 0.508353 0.345475 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.377684 0.380901 0.233665 H\n0.877684 0.119099 0.766335 H\n0.622316 0.619099 0.766335 H\n0.122316 0.880901 0.233665 H\n0.126188 0.208583 0.147500 H\n0.626188 0.291417 0.852500 H\n0.873812 0.791417 0.852500 H\n0.373812 0.708583 0.147500 H\n0.196610 0.140413 0.301509 H\n0.696610 0.359587 0.698491 H\n0.803390 0.859587 0.698491 H\n0.303390 0.640413 0.301509 H\n0.404030 0.130073 0.137003 H\n0.904030 0.369927 0.862997 H\n0.595970 0.869927 0.862997 H\n0.095970 0.630073 0.137003 H\n0.415725 0.923495 0.246188 H\n0.915725 0.576505 0.753812 H\n0.584275 0.076505 0.753812 H\n0.084275 0.423495 0.246188 H\n0.766509 0.227788 0.079822 C\n0.266509 0.272212 0.920178 C\n0.233491 0.772212 0.920178 C\n0.733491 0.727788 0.079822 C\n0.832724 0.262532 0.473881 C\n0.332724 0.237468 0.526119 C\n0.167276 0.737468 0.526119 C\n0.667276 0.762532 0.473881 C\n0.483498 0.384122 0.225832 O\n0.983498 0.115878 0.774168 O\n0.516502 0.615878 0.774168 O\n0.016502 0.884122 0.225832 O\n0.112100 0.205919 0.246410 O\n0.612100 0.294081 0.753590 O\n0.887900 0.794081 0.753590 O\n0.387900 0.705919 0.246410 O\n0.423609 0.043299 0.239907 O\n0.923609 0.456701 0.760093 O\n0.576391 0.956701 0.760093 O\n0.076391 0.543299 0.239907 O\n0.668434 0.335818 0.005176 O\n0.168434 0.164182 0.994824 O\n0.331566 0.664182 0.994824 O\n0.831566 0.835818 0.005176 O\n0.877237 0.199654 0.014449 O\n0.377237 0.300346 0.985551 O\n0.122763 0.800346 0.985551 O\n0.622763 0.699654 0.014449 O\n0.756957 0.146537 0.220987 O\n0.256957 0.353463 0.779013 O\n0.243043 0.853463 0.779013 O\n0.743043 0.646537 0.220987 O\n0.699319 0.282965 0.431242 O\n0.199319 0.217035 0.568758 O\n0.300681 0.717035 0.568758 O\n0.800681 0.782965 0.431242 O\n0.900950 0.118155 0.495251 O\n0.400950 0.381845 0.504749 O\n0.099050 0.881845 0.504749 O\n0.599050 0.618155 0.495251 O\n0.897887 0.385125 0.497598 O\n0.397887 0.114875 0.502402 O\n0.102113 0.614875 0.502402 O\n0.602113 0.885125 0.497598 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.171142633690952,
"density_atomic": 0.10345051893346423,
"volume": 715.3178230801744,
"volume_molar": 5.821276511791335,
"formula_full": "Mg10 H20 C8 O36",
"formula_reduced": "Mg5H10(C2O9)2",
"formula_anonymous": "A4B5C10D18",
"energy": -484.2340729600001,
"energy_per_atom": -6.54370368864865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -459.50207296,
"band_gap": 4.4617,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021179,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.870000Z",
"spacegroup": 14
},
{
"id": "mp-754475",
"created_at": "2022-09-04T14:39:45.187910Z",
"structure_string": "Tm2 Se1 O2\n1.0\n-1.889384 1.889384 5.979610\n1.889384 -1.889384 5.979610\n1.889384 1.889384 -5.979610\nTm Se O\n2 1 2\ndirect\n0.657906 0.657906 0.000000 Tm\n0.342094 0.342094 0.000000 Tm\n0.000000 0.000000 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Se",
"O"
],
"chemical_system": "O-Se-Tm",
"density": 8.728808541985662,
"density_atomic": 0.05855940925897248,
"volume": 85.38337499082436,
"volume_molar": 10.28381405517216,
"formula_full": "Tm2 Se1 O2",
"formula_reduced": "Tm2SeO2",
"formula_anonymous": "AB2C2",
"energy": -39.72403112000001,
"energy_per_atom": -7.9448062240000015,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -37.87803112,
"band_gap": 1.9593000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.660000Z",
"spacegroup": 139
},
{
"id": "mp-1223389",
"created_at": "2022-09-04T14:39:45.203452Z",
"structure_string": "K1 Na1 Ti4 Bi2 O12\n1.0\n3.889611 -4.256557 0.000000\n3.889611 4.256557 0.000000\n0.000000 0.000000 7.774023\nK Na Ti Bi O\n1 1 4 2 12\ndirect\n0.984926 0.015074 0.500000 K\n0.467449 0.532551 0.000000 Na\n0.977577 0.522433 0.752587 Ti\n0.477567 0.022423 0.752587 Ti\n0.977577 0.522433 0.247413 Ti\n0.477567 0.022423 0.247413 Ti\n0.930928 0.069072 0.000000 Bi\n0.427995 0.572005 0.500000 Bi\n0.275844 0.724156 0.743480 O\n0.772095 0.227905 0.762768 O\n0.275844 0.724156 0.256520 O\n0.772095 0.227905 0.237232 O\n0.022038 0.467375 0.000000 O\n0.532625 0.977962 0.000000 O\n0.033291 0.490265 0.500000 O\n0.509735 0.966709 0.500000 O\n0.770746 0.727323 0.755171 O\n0.272677 0.229254 0.755171 O\n0.770746 0.727323 0.244829 O\n0.272677 0.229254 0.244829 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"K",
"Na",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-K-Na-O-Ti",
"density": 5.570265072566898,
"density_atomic": 0.07769437110547206,
"volume": 257.4189058413189,
"volume_molar": 7.7510644263080435,
"formula_full": "K1 Na1 Ti4 Bi2 O12",
"formula_reduced": "KNaTi4(BiO6)2",
"formula_anonymous": "ABC2D4E12",
"energy": -157.80480817,
"energy_per_atom": -7.8902404085,
"energy_above_hull": null,
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"energy_uncorrected": -149.56080817,
"band_gap": 2.3362000000000003,
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"updated_at": "2021-11-28T01:34:31.993000Z",
"spacegroup": 38
},
{
"id": "mp-772545",
"created_at": "2022-09-04T14:39:45.260459Z",
"structure_string": "Li12 Ti4 Si24 O60\n1.0\n7.104057 -8.481913 0.000000\n7.104057 8.481913 0.000000\n0.000000 0.000000 10.206589\nLi Ti Si O\n12 4 24 60\ndirect\n0.234484 0.234484 0.000000 Li\n0.021317 0.478683 0.250000 Li\n0.478683 0.021317 0.750000 Li\n0.265516 0.265516 0.500000 Li\n0.936980 0.063020 0.800872 Li\n0.436980 0.563020 0.699128 Li\n0.563020 0.436980 0.300872 Li\n0.063020 0.936980 0.199128 Li\n0.734484 0.734484 0.500000 Li\n0.978683 0.521317 0.750000 Li\n0.521317 0.978683 0.250000 Li\n0.765516 0.765516 0.000000 Li\n0.343971 0.156029 0.250000 Ti\n0.156029 0.343971 0.750000 Ti\n0.656029 0.843971 0.750000 Ti\n0.843971 0.656029 0.250000 Ti\n0.189571 0.039905 0.806910 Si\n0.039905 0.189571 0.193090 Si\n0.310429 0.460095 0.306910 Si\n0.460095 0.310429 0.693090 Si\n0.765342 0.016797 0.483403 Si\n0.516797 0.265342 0.983403 Si\n0.265342 0.516797 0.016597 Si\n0.016797 0.765342 0.516597 Si\n0.581697 0.200082 0.455148 Si\n0.081697 0.700082 0.044852 Si\n0.700082 0.081697 0.955148 Si\n0.200082 0.581697 0.544852 Si\n0.799918 0.418303 0.455148 Si\n0.918303 0.299918 0.955148 Si\n0.299918 0.918303 0.044852 Si\n0.418303 0.799918 0.544852 Si\n0.483203 0.734658 0.016597 Si\n0.983203 0.234658 0.483403 Si\n0.734658 0.483203 0.983403 Si\n0.234658 0.983203 0.516597 Si\n0.689571 0.539905 0.693090 Si\n0.539905 0.689571 0.306910 Si\n0.960095 0.810429 0.806910 Si\n0.810429 0.960095 0.193090 Si\n0.011225 0.283088 0.077349 O\n0.283088 0.011225 0.922651 O\n0.265729 0.031195 0.669764 O\n0.031195 0.265729 0.330236 O\n0.165619 0.140262 0.165910 O\n0.140262 0.165619 0.834090 O\n0.255677 0.097341 0.418156 O\n0.097341 0.255677 0.581844 O\n0.511988 0.139278 0.327928 O\n0.011988 0.639278 0.172072 O\n0.639278 0.011988 0.827928 O\n0.139278 0.511988 0.672072 O\n0.402659 0.244323 0.081844 O\n0.244323 0.402659 0.918156 O\n0.334381 0.359738 0.665910 O\n0.359738 0.334381 0.334090 O\n0.234271 0.468805 0.169764 O\n0.468805 0.234271 0.830236 O\n0.488775 0.216912 0.577349 O\n0.216912 0.488775 0.422651 O\n0.673682 0.114480 0.515663 O\n0.614480 0.173682 0.015663 O\n0.114480 0.673682 0.484337 O\n0.173682 0.614480 0.984337 O\n0.407052 0.592948 0.007878 O\n0.660202 0.339798 0.417706 O\n0.933698 0.066302 0.194827 O\n0.839798 0.160202 0.917706 O\n0.907052 0.092948 0.492122 O\n0.566302 0.433698 0.694827 O\n0.433698 0.566302 0.305173 O\n0.592948 0.407052 0.992122 O\n0.092948 0.907052 0.507878 O\n0.339798 0.660202 0.582294 O\n0.066302 0.933698 0.805173 O\n0.160202 0.839798 0.082294 O\n0.885520 0.326318 0.515663 O\n0.826318 0.385520 0.015663 O\n0.326318 0.885520 0.484337 O\n0.385520 0.826318 0.984337 O\n0.783088 0.511225 0.577349 O\n0.511225 0.783088 0.422651 O\n0.765729 0.531195 0.830236 O\n0.531195 0.765729 0.169764 O\n0.665619 0.640262 0.334090 O\n0.640262 0.665619 0.665910 O\n0.755677 0.597341 0.081844 O\n0.597341 0.755677 0.918156 O\n0.988012 0.360722 0.827928 O\n0.860722 0.488012 0.327928 O\n0.360722 0.988012 0.172072 O\n0.488012 0.860722 0.672072 O\n0.902659 0.744323 0.418156 O\n0.744323 0.902659 0.581844 O\n0.859738 0.834381 0.165910 O\n0.834381 0.859738 0.834090 O\n0.734271 0.968805 0.330236 O\n0.968805 0.734271 0.669764 O\n0.988775 0.716912 0.922651 O\n0.716912 0.988775 0.077349 O\n",
"nsites": 100,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 2.576874036328405,
"density_atomic": 0.08129973434767516,
"volume": 1230.0163192705388,
"volume_molar": 7.407331411744286,
"formula_full": "Li12 Ti4 Si24 O60",
"formula_reduced": "Li3Ti(Si2O5)3",
"formula_anonymous": "AB3C6D15",
"energy": -790.43352593,
"energy_per_atom": -7.9043352593,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -749.21352593,
"band_gap": 4.256200000000001,
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"total_magnetization": 4.0300614,
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"updated_at": "2021-11-28T01:34:43.183000Z",
"spacegroup": 64
},
{
"id": "mp-25454",
"created_at": "2022-09-04T14:39:45.009752Z",
"structure_string": "Li4 Co2 P2 C2 O14\n1.0\n6.247170 0.000000 0.000000\n0.000000 5.083590 0.000000\n0.000000 0.539057 8.514691\nLi Co P C O\n4 2 2 2 14\ndirect\n0.014168 0.776758 0.780812 Li\n0.985832 0.223242 0.219188 Li\n0.514168 0.223242 0.219188 Li\n0.485832 0.776758 0.780812 Li\n0.750000 0.785734 0.344545 Co\n0.250000 0.214266 0.655455 Co\n0.250000 0.716655 0.426017 P\n0.750000 0.283345 0.573983 P\n0.750000 0.730120 0.056652 C\n0.250000 0.269880 0.943348 C\n0.946356 0.180652 0.670861 O\n0.750000 0.961529 0.117002 O\n0.250000 0.471409 0.837614 O\n0.750000 0.528591 0.162386 O\n0.553644 0.180652 0.670861 O\n0.750000 0.173104 0.409149 O\n0.250000 0.038471 0.882998 O\n0.446356 0.819348 0.329139 O\n0.053644 0.819348 0.329139 O\n0.250000 0.410319 0.443658 O\n0.750000 0.702264 0.910547 O\n0.250000 0.297736 0.089453 O\n0.750000 0.589681 0.556342 O\n0.250000 0.826896 0.590851 O\n",
"nsites": 24,
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"elements": [
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"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Li-O-P",
"density": 2.7977017773390487,
"density_atomic": 0.08875411723488565,
"volume": 270.4099905189139,
"volume_molar": 6.785195940896521,
"formula_full": "Li4 Co2 P2 C2 O14",
"formula_reduced": "Li2CoPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -171.94968475000002,
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"spacegroup": 11
},
{
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"id": "mp-777670",
"created_at": "2022-09-04T14:39:45.033945Z",
"structure_string": "Li4 V3 Cr3 Sn2 O16\n1.0\n5.947515 0.000000 0.000000\n2.965230 5.204300 0.000000\n0.057431 0.005910 9.771357\nLi V Cr Sn O\n4 3 3 2 16\ndirect\n0.672518 0.667487 0.104636 Li\n0.997873 0.998807 0.006799 Li\n0.994725 0.001462 0.505537 Li\n0.336891 0.335225 0.605830 Li\n0.653640 0.173786 0.281403 V\n0.828045 0.828327 0.781772 V\n0.171574 0.659460 0.287257 V\n0.830785 0.339269 0.785853 Cr\n0.339148 0.830786 0.786250 Cr\n0.166827 0.170873 0.286282 Cr\n0.663117 0.667129 0.508145 Sn\n0.330676 0.331895 0.006815 Sn\n0.835078 0.322597 0.400879 O\n0.517699 0.519552 0.663954 O\n0.676980 0.675858 0.891318 O\n0.993194 0.994115 0.692614 O\n0.983746 0.009997 0.193064 O\n0.316508 0.839525 0.401195 O\n0.966927 0.523548 0.661723 O\n0.521955 0.967590 0.662667 O\n0.158774 0.157568 0.900915 O\n0.835402 0.840828 0.399732 O\n0.485427 0.033361 0.162751 O\n0.036955 0.482241 0.161478 O\n0.353729 0.317813 0.394292 O\n0.679331 0.156570 0.899731 O\n0.495005 0.474360 0.158577 O\n0.157770 0.679672 0.900696 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Li-O-Sn-V",
"density": 4.556881574562056,
"density_atomic": 0.09257746430163066,
"volume": 302.44941586185575,
"volume_molar": 6.5049748396424,
"formula_full": "Li4 V3 Cr3 Sn2 O16",
"formula_reduced": "Li4V3Cr3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -217.87958736,
"energy_per_atom": -7.781413834285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.79058736,
"band_gap": 0.6871,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9997231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.573000Z",
"spacegroup": 1
}
]
}