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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11513",
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"results": [
{
"id": "mp-1217509",
"created_at": "2022-09-04T14:46:30.058255Z",
"structure_string": "Ti12 Ni4 Bi8 Pb8 O48\n1.0\n-4.057316 0.006445 -4.010365\n8.471767 11.733551 -12.478402\n4.223041 -7.845315 -4.196404\nTi Ni Bi Pb O\n12 4 8 8 48\ndirect\n0.457106 0.060580 0.844178 Ti\n0.957068 0.060602 0.344223 Ti\n0.707091 0.560586 0.094282 Ti\n0.206999 0.560611 0.594288 Ti\n0.392034 0.185055 0.520514 Ti\n0.892001 0.185050 0.020526 Ti\n0.642087 0.685057 0.770602 Ti\n0.142035 0.685068 0.270611 Ti\n0.330870 0.308204 0.202119 Ti\n0.830855 0.308194 0.702137 Ti\n0.580806 0.808172 0.452111 Ti\n0.080807 0.808168 0.952121 Ti\n0.775998 0.423918 0.387910 Ni\n0.525830 0.923912 0.137943 Ni\n0.275947 0.423945 0.887897 Ni\n0.025914 0.923896 0.637902 Ni\n0.482471 0.002803 0.538571 Bi\n0.982478 0.002834 0.038614 Bi\n0.732353 0.502851 0.788720 Bi\n0.232379 0.502874 0.288725 Bi\n0.298345 0.392544 0.568942 Bi\n0.798338 0.392524 0.068977 Bi\n0.548337 0.892533 0.818901 Bi\n0.048309 0.892560 0.318893 Bi\n0.419922 0.128420 0.193413 Pb\n0.919909 0.128416 0.693445 Pb\n0.669891 0.628387 0.443691 Pb\n0.169973 0.628385 0.943738 Pb\n0.353229 0.255797 0.873016 Pb\n0.853353 0.255804 0.373036 Pb\n0.603225 0.755735 0.123032 Pb\n0.103249 0.755721 0.623054 Pb\n0.301164 0.350001 0.032116 O\n0.801150 0.349988 0.532142 O\n0.550883 0.849938 0.282080 O\n0.050899 0.849941 0.782071 O\n0.375866 0.231244 0.348615 O\n0.875880 0.231247 0.848648 O\n0.625760 0.731229 0.598677 O\n0.125755 0.731231 0.098696 O\n0.256380 0.481280 0.714236 O\n0.756411 0.481271 0.214269 O\n0.506380 0.981259 0.964198 O\n0.006395 0.981271 0.464227 O\n0.436469 0.102499 0.657979 O\n0.936429 0.102528 0.158041 O\n0.686562 0.602523 0.908166 O\n0.186567 0.602544 0.408185 O\n0.556534 0.357893 0.775434 O\n0.056568 0.357883 0.275454 O\n0.806575 0.857860 0.025416 O\n0.306559 0.857857 0.525417 O\n0.621829 0.229614 0.100277 O\n0.121841 0.229606 0.600249 O\n0.871990 0.729631 0.350352 O\n0.372025 0.729621 0.850351 O\n0.975925 0.479270 0.967654 O\n0.475943 0.479268 0.467673 O\n0.225927 0.979292 0.217617 O\n0.725921 0.979272 0.717574 O\n0.184035 0.106308 0.916699 O\n0.684035 0.106335 0.416749 O\n0.433952 0.606338 0.166721 O\n0.933889 0.606359 0.666760 O\n0.524386 0.479034 0.970419 O\n0.024380 0.479037 0.470422 O\n0.774403 0.979021 0.220315 O\n0.274434 0.979008 0.720276 O\n0.690716 0.107059 0.915281 O\n0.190675 0.107066 0.415311 O\n0.940675 0.607058 0.165443 O\n0.440623 0.607060 0.665437 O\n0.123289 0.228555 0.103139 O\n0.623317 0.228546 0.603124 O\n0.373475 0.728519 0.353149 O\n0.873499 0.728518 0.853150 O\n0.059370 0.358490 0.771694 O\n0.559375 0.358493 0.271677 O\n0.309335 0.858472 0.021645 O\n0.809339 0.858468 0.521644 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Ti",
"Ni",
"Bi",
"Pb",
"O"
],
"chemical_system": "Bi-Ni-O-Pb-Ti",
"density": 7.671004526288396,
"density_atomic": 0.07532049788345173,
"volume": 1062.1278702085742,
"volume_molar": 7.995354424393806,
"formula_full": "Ti12 Ni4 Bi8 Pb8 O48",
"formula_reduced": "Ti3NiBi2(PbO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy": -608.25725957,
"energy_per_atom": -7.6032157446249995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -565.11725957,
"band_gap": 2.6568000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0003664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.825000Z",
"spacegroup": 1
},
{
"id": "mp-777350",
"created_at": "2022-09-04T14:46:30.267813Z",
"structure_string": "Li10 Mn2 Fe3 Co3 O16\n1.0\n5.876641 0.000000 0.000000\n2.918925 5.282269 0.000000\n0.037208 0.031681 9.860295\nLi Mn Fe Co O\n10 2 3 3 16\ndirect\n0.982483 0.030294 0.975133 Li\n0.005974 0.981475 0.485247 Li\n0.208315 0.592693 0.534354 Li\n0.188389 0.205697 0.554284 Li\n0.311329 0.378288 0.767488 Li\n0.378785 0.805517 0.051630 Li\n0.617711 0.211763 0.555984 Li\n0.824255 0.796228 0.048775 Li\n0.797310 0.414509 0.040123 Li\n0.674391 0.651196 0.269090 Li\n0.324942 0.340897 0.021342 Mn\n0.653542 0.696008 0.526569 Mn\n0.175704 0.154549 0.279266 Fe\n0.670177 0.153743 0.277899 Fe\n0.811062 0.376458 0.777971 Fe\n0.173950 0.650792 0.279679 Co\n0.316864 0.866057 0.780163 Co\n0.809139 0.869364 0.781598 Co\n0.005934 0.989477 0.165459 O\n0.961946 0.044612 0.673459 O\n0.128271 0.713981 0.895661 O\n0.027545 0.471493 0.153313 O\n0.498949 0.471578 0.147407 O\n0.344167 0.314366 0.398576 O\n0.139588 0.212249 0.904061 O\n0.502604 0.995753 0.162450 O\n0.340610 0.826962 0.407017 O\n0.648245 0.196761 0.895619 O\n0.498965 0.020471 0.666911 O\n0.502510 0.536507 0.648863 O\n0.833818 0.822272 0.403771 O\n0.662375 0.692746 0.894596 O\n0.960399 0.553467 0.657126 O\n0.851046 0.298213 0.395964 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-Mn-O",
"density": 4.229485247007404,
"density_atomic": 0.11108088572153971,
"volume": 306.0832633728906,
"volume_molar": 5.421401459740293,
"formula_full": "Li10 Mn2 Fe3 Co3 O16",
"formula_reduced": "Li10Mn2Fe3Co3O16",
"formula_anonymous": "A2B3C3D10E16",
"energy": -225.79954278,
"energy_per_atom": -6.641163022941177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.78954278,
"band_gap": 0.7412999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.9982011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.866000Z",
"spacegroup": 1
},
{
"id": "mp-720971",
"created_at": "2022-09-04T14:46:30.092656Z",
"structure_string": "Ca12 Al11 Si3 Cl5 O32\n1.0\n10.459662 0.000000 0.000000\n-3.505401 9.866340 0.000000\n-3.498216 -4.909317 8.564868\nCa Al Si Cl O\n12 11 3 5 32\ndirect\n0.652058 0.258694 0.901699 Ca\n0.748727 0.140202 0.391617 Ca\n0.352419 0.099858 0.246096 Ca\n0.753179 0.606729 0.862028 Ca\n0.142652 0.394762 0.750954 Ca\n0.101315 0.240474 0.348644 Ca\n0.244357 0.361856 0.107227 Ca\n0.852181 0.751401 0.604979 Ca\n0.891067 0.647312 0.246416 Ca\n0.608836 0.861476 0.761127 Ca\n0.391489 0.740805 0.135222 Ca\n0.250821 0.891135 0.641524 Ca\n0.872119 0.124174 0.744615 Al\n0.001831 0.034227 0.500615 Al\n0.380319 0.254784 0.625574 Al\n0.629714 0.375215 0.256496 Al\n0.532263 0.497314 0.000397 Al\n0.966419 0.965667 0.963310 Al\n0.254600 0.626896 0.377285 Al\n0.121010 0.744926 0.872316 Al\n0.031619 0.499232 0.000604 Al\n0.748397 0.874623 0.124419 Al\n0.498255 0.001927 0.033307 Al\n0.466330 0.465912 0.465590 Si\n0.003303 0.536825 0.500867 Si\n0.499104 0.999958 0.535305 Si\n0.749509 0.374036 0.623891 Cl\n0.875885 0.247869 0.126125 Cl\n0.376674 0.628114 0.752012 Cl\n0.624335 0.748624 0.372693 Cl\n0.124142 0.877243 0.251632 Cl\n0.902290 0.020620 0.316480 O\n0.917878 0.123546 0.598069 O\n0.673059 0.076443 0.689853 O\n0.419410 0.097143 0.607172 O\n0.578829 0.182121 0.207928 O\n0.188665 0.203387 0.587036 O\n0.522619 0.395785 0.818727 O\n0.386912 0.308992 0.482283 O\n0.014428 0.313683 0.900325 O\n0.139893 0.133256 0.123294 O\n0.828856 0.517749 0.402819 O\n0.490514 0.393584 0.313794 O\n0.975349 0.793436 0.870216 O\n0.613083 0.410366 0.101387 O\n0.001335 0.380993 0.497448 O\n0.868775 0.503871 0.005554 O\n0.618150 0.620384 0.620771 O\n0.121891 0.599225 0.918373 O\n0.311452 0.487262 0.390304 O\n0.797059 0.881247 0.979415 O\n0.358568 0.482465 0.992714 O\n0.700768 0.682373 0.085173 O\n0.879921 0.979756 0.792217 O\n0.080742 0.690216 0.675089 O\n0.104623 0.615349 0.425934 O\n0.202424 0.580894 0.185513 O\n0.400226 0.825483 0.517799 O\n0.492301 0.009044 0.866785 O\n0.596109 0.915735 0.118228 O\n0.011549 0.876724 0.518202 O\n0.498012 0.995582 0.379470 O\n0.309381 0.906016 0.012038 O\n",
"nsites": 63,
"nelements": 5,
"elements": [
"Ca",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Ca-Cl-O-Si",
"density": 2.914287229038886,
"density_atomic": 0.07127646414119945,
"volume": 883.882228994922,
"volume_molar": 8.448989203603134,
"formula_full": "Ca12 Al11 Si3 Cl5 O32",
"formula_reduced": "Ca12Al11Si3Cl5O32",
"formula_anonymous": "A3B5C11D12E32",
"energy": -463.55188947,
"energy_per_atom": -7.357966499523809,
"energy_above_hull": null,
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"energy_uncorrected": -438.49788947,
"band_gap": 4.3306,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039558,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.942000Z",
"spacegroup": 1
},
{
"id": "mp-1234187",
"created_at": "2022-09-04T14:46:30.256326Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.433422 0.089649 -0.765937\n-1.454547 6.155131 -2.268597\n0.952193 1.260601 11.581072\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.210766 0.794007 0.046001 Sr\n0.768562 0.199474 0.958003 Sr\n0.814427 0.534488 0.256527 Mg\n0.080055 0.460652 0.739711 Zn\n0.074786 0.680080 0.487098 Zn\n0.671100 0.905965 0.634546 Sn\n0.237478 0.135025 0.354501 Sn\n0.329231 0.399998 0.180977 P\n0.666118 0.589922 0.800630 P\n0.719922 0.994479 0.220541 P\n0.222932 0.016348 0.772867 P\n0.860766 0.551863 0.892817 O\n0.546296 0.436992 0.104948 O\n0.706122 0.826702 0.803129 O\n0.022513 0.136776 0.726941 O\n0.399396 0.533010 0.833531 O\n0.177072 0.787959 0.691276 O\n0.819505 0.227024 0.286428 O\n0.205746 0.035818 0.905264 O\n0.238032 0.162561 0.168245 O\n0.684709 0.952978 0.083855 O\n0.099280 0.487643 0.141949 O\n0.439556 0.495812 0.312121 O\n0.729274 0.467451 0.676567 O\n0.470800 0.913381 0.264600 O\n0.916520 0.862018 0.253268 O\n0.484275 0.124536 0.753656 O\n",
"nsites": 27,
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"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.8375937204777206,
"density_atomic": 0.06584415675878624,
"volume": 410.05916590156835,
"volume_molar": 9.146051914768284,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.83029032,
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"updated_at": "2021-11-28T01:37:33.896000Z",
"spacegroup": 1
},
{
"id": "mp-1226255",
"created_at": "2022-09-04T14:46:30.762944Z",
"structure_string": "Dy2 P4 H10 O20\n1.0\n-6.452679 0.000000 0.000000\n-0.145228 -6.950192 0.000000\n1.505868 1.446754 9.781607\nDy P H O\n2 4 10 20\ndirect\n0.368746 0.260796 0.541176 Dy\n0.630281 0.739717 0.459167 Dy\n0.804645 0.233241 0.434843 P\n0.194588 0.767786 0.565300 P\n0.057133 0.138954 0.209783 P\n0.941511 0.860575 0.790095 P\n0.720236 0.485267 0.735860 H\n0.275483 0.515163 0.265466 H\n0.767379 0.266163 0.763712 H\n0.232153 0.733846 0.236072 H\n0.976371 0.175803 0.988154 H\n0.021891 0.824035 0.012056 H\n0.150874 0.204100 0.788288 H\n0.848739 0.793563 0.213215 H\n0.383116 0.283962 0.843423 H\n0.624969 0.694065 0.156958 H\n0.843530 0.180385 0.276974 O\n0.154950 0.821332 0.722835 O\n0.020144 0.251345 0.083557 O\n0.980549 0.748368 0.916305 O\n0.660228 0.412013 0.441024 O\n0.338281 0.588558 0.559608 O\n0.656511 0.357301 0.732505 O\n0.341405 0.641978 0.268367 O\n0.666066 0.069973 0.463594 O\n0.334110 0.930689 0.537004 O\n0.242179 0.230441 0.308555 O\n0.756919 0.767561 0.691654 O\n0.013373 0.258081 0.526229 O\n0.985936 0.743951 0.474055 O\n0.064900 0.918654 0.165449 O\n0.931563 0.080741 0.834288 O\n0.272485 0.269833 0.765050 O\n0.728981 0.726709 0.237868 O\n0.502829 0.987218 0.974823 O\n0.495346 0.809429 0.970287 O\n",
"nsites": 36,
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"elements": [
"Dy",
"P",
"H",
"O"
],
"chemical_system": "Dy-H-O-P",
"density": 2.9486182296838606,
"density_atomic": 0.08206451887660285,
"volume": 438.67923059576776,
"volume_molar": 7.338300208711701,
"formula_full": "Dy2 P4 H10 O20",
"formula_reduced": "DyP2(HO2)5",
"formula_anonymous": "AB2C5D10",
"energy": -244.36872888,
"energy_per_atom": -6.788020246666666,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:31.328000Z",
"spacegroup": 1
},
{
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"is_magnetic": true,
"total_magnetization": 35.0050567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.556000Z",
"spacegroup": 1
},
{
"id": "mp-753980",
"created_at": "2022-09-04T14:46:30.509599Z",
"structure_string": "Li4 Mn2 Te1 W1 O12\n1.0\n5.323987 -0.036325 -0.025478\n5.856556 8.894340 -0.051299\n5.856240 6.011923 4.134470\nLi Mn Te W O\n4 2 1 1 12\ndirect\n0.290593 0.005901 0.278851 Li\n0.281067 0.494403 0.292874 Li\n0.782483 0.998262 0.789090 Li\n0.788358 0.501249 0.782799 Li\n0.500491 0.000686 0.500999 Mn\n0.502850 0.499129 0.501476 Mn\n0.000468 0.501357 0.999328 Te\n0.001887 0.998936 0.002215 W\n0.377125 0.303020 0.119856 O\n0.240880 0.114935 0.630734 O\n0.132589 0.315511 0.734040 O\n0.872784 0.198703 0.226602 O\n0.367032 0.802774 0.132878 O\n0.729473 0.370762 0.378325 O\n0.231478 0.628001 0.620601 O\n0.631293 0.187065 0.862111 O\n0.120119 0.823117 0.732799 O\n0.863669 0.691943 0.244563 O\n0.735829 0.883617 0.365927 O\n0.620733 0.680628 0.875135 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Te",
"W",
"O"
],
"chemical_system": "Li-Mn-O-Te-W",
"density": 5.356284940831877,
"density_atomic": 0.1006322444098515,
"volume": 198.74345561194778,
"volume_molar": 5.984305324119808,
"formula_full": "Li4 Mn2 Te1 W1 O12",
"formula_reduced": "Li4Mn2TeWO12",
"formula_anonymous": "ABC2D4E12",
"energy": -141.46278946,
"energy_per_atom": -7.073139473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.44478946,
"band_gap": 1.1174999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0055835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.106000Z",
"spacegroup": 1
},
{
"id": "mp-1232999",
"created_at": "2022-09-04T14:46:30.510265Z",
"structure_string": "Li1 O8\n1.0\n4.186247 -0.244124 1.953214\n1.245880 4.573912 2.302835\n0.320558 0.240761 6.046316\nLi O\n1 8\ndirect\n0.335782 0.722154 0.427706 Li\n0.807571 0.353932 0.817313 O\n0.115178 0.324165 0.728895 O\n0.117089 0.675063 0.228026 O\n0.802038 0.719897 0.319106 O\n0.785360 0.162634 0.243493 O\n0.127241 0.894795 0.735493 O\n0.093065 0.127082 0.163264 O\n0.816677 0.948849 0.824798 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 1.9858474947235343,
"density_atomic": 0.07976471718283269,
"volume": 112.83184242189,
"volume_molar": 7.549880414164011,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy": -45.18487193,
"energy_per_atom": -5.0205413255555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.89687193,
"band_gap": 0.1520999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000221,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.661000Z",
"spacegroup": 1
}
]
}