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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10130",
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"results": [
{
"id": "mp-585339",
"created_at": "2022-09-04T14:39:25.508512Z",
"structure_string": "Li2 Cu4 P10 O32\n1.0\n6.718824 0.000000 0.000000\n0.000000 4.965341 0.000000\n0.000000 0.149678 18.542793\nLi Cu P O\n2 4 10 32\ndirect\n0.624172 0.264378 0.528021 Li\n0.375828 0.264378 0.028021 Li\n0.178460 0.255506 0.591669 Cu\n0.821540 0.255506 0.091669 Cu\n0.179264 0.745500 0.907705 Cu\n0.820736 0.745500 0.407705 Cu\n0.462996 0.265503 0.869586 P\n0.875605 0.767373 0.579210 P\n0.537004 0.265503 0.369586 P\n0.753473 0.994919 0.250012 P\n0.873297 0.229041 0.922349 P\n0.126703 0.229041 0.422349 P\n0.533229 0.739537 0.130584 P\n0.124395 0.767373 0.079210 P\n0.246527 0.994919 0.750012 P\n0.466771 0.739537 0.630584 P\n0.566637 0.563976 0.381671 O\n0.597234 0.189046 0.288905 O\n0.064909 0.935260 0.432755 O\n0.634192 0.082323 0.425663 O\n0.226678 0.347808 0.489597 O\n0.955218 0.607574 0.113085 O\n0.132805 0.156293 0.694959 O\n0.123598 0.843024 0.804454 O\n0.441629 0.444259 0.610831 O\n0.044782 0.607574 0.613085 O\n0.965989 0.402300 0.387146 O\n0.081342 0.069125 0.068165 O\n0.393706 0.783198 0.711290 O\n0.223441 0.634445 0.013447 O\n0.606294 0.783198 0.211290 O\n0.299154 0.773004 0.141258 O\n0.385536 0.948960 0.578582 O\n0.935091 0.935260 0.932755 O\n0.918658 0.069125 0.568165 O\n0.614464 0.948960 0.078582 O\n0.034011 0.402300 0.887146 O\n0.773322 0.347808 0.989597 O\n0.700846 0.773004 0.641258 O\n0.365808 0.082323 0.925663 O\n0.433363 0.563976 0.881671 O\n0.876402 0.843024 0.304454 O\n0.776559 0.634445 0.513447 O\n0.304794 0.216176 0.362473 O\n0.695206 0.216176 0.862473 O\n0.402766 0.189046 0.788905 O\n0.558371 0.444259 0.110831 O\n0.867195 0.156293 0.194959 O\n",
"nsites": 48,
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"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 2.9253120338924306,
"density_atomic": 0.07759321429584046,
"volume": 618.6107952299785,
"volume_molar": 7.761169342771806,
"formula_full": "Li2 Cu4 P10 O32",
"formula_reduced": "LiCu2P5O16",
"formula_anonymous": "AB2C5D16",
"energy": -339.33045062,
"energy_per_atom": -7.069384387916667,
"energy_above_hull": null,
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"energy_uncorrected": -317.34645062,
"band_gap": 0.1493999999999999,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.553000Z",
"spacegroup": 7
},
{
"id": "mp-543094",
"created_at": "2022-09-04T14:39:25.543377Z",
"structure_string": "Li4 Fe8 P12 O48\n1.0\n8.802235 0.000000 0.000000\n0.000000 8.685732 0.000000\n0.000000 8.686631 12.199037\nLi Fe P O\n4 8 12 48\ndirect\n0.529734 0.402483 0.821433 Li\n0.972561 0.977174 0.317875 Li\n0.470266 0.402483 0.321433 Li\n0.027439 0.977174 0.817875 Li\n0.717033 0.635761 0.615576 Fe\n0.205113 0.366248 0.883126 Fe\n0.784912 0.134294 0.114788 Fe\n0.294599 0.868648 0.382735 Fe\n0.215088 0.134294 0.614788 Fe\n0.705401 0.868648 0.882735 Fe\n0.282967 0.635761 0.115576 Fe\n0.794887 0.366248 0.383126 Fe\n0.002152 0.540765 0.497196 P\n0.856826 0.251610 0.853968 P\n0.142176 0.963224 0.147973 P\n0.643790 0.042305 0.353200 P\n0.359818 0.744026 0.646771 P\n0.499087 0.458857 0.002475 P\n0.997848 0.540765 0.997196 P\n0.143174 0.251610 0.353968 P\n0.857824 0.963224 0.647973 P\n0.356210 0.042305 0.853200 P\n0.640182 0.744026 0.146771 P\n0.500913 0.458857 0.502475 P\n0.392454 0.626632 0.432859 O\n0.594381 0.477181 0.582390 O\n0.357632 0.218467 0.856332 O\n0.660484 0.901041 0.164305 O\n0.892189 0.537079 0.578701 O\n0.816525 0.177476 0.972283 O\n0.023643 0.318201 0.828083 O\n0.256168 0.922110 0.236632 O\n0.082652 0.734603 0.429960 O\n0.981700 0.987097 0.180625 O\n0.189781 0.141117 0.036344 O\n0.742970 0.411683 0.776800 O\n0.245905 0.587143 0.725529 O\n0.693317 0.864888 0.465517 O\n0.483158 0.017687 0.324005 O\n0.586898 0.270717 0.069692 O\n0.763187 0.071933 0.268584 O\n0.524013 0.664325 0.679145 O\n0.326010 0.818126 0.528351 O\n0.401223 0.449417 0.919594 O\n0.855268 0.796505 0.636635 O\n0.156029 0.090564 0.338365 O\n0.090348 0.525919 0.914923 O\n0.887599 0.375794 0.065131 O\n0.607546 0.626632 0.932859 O\n0.405619 0.477181 0.082390 O\n0.339516 0.901041 0.664305 O\n0.642368 0.218467 0.356332 O\n0.107811 0.537079 0.078701 O\n0.183475 0.177476 0.472283 O\n0.976357 0.318201 0.328083 O\n0.743832 0.922110 0.736632 O\n0.917348 0.734603 0.929960 O\n0.018300 0.987097 0.680625 O\n0.810219 0.141117 0.536344 O\n0.257030 0.411683 0.276800 O\n0.754095 0.587143 0.225529 O\n0.306683 0.864888 0.965517 O\n0.516842 0.017687 0.824005 O\n0.413102 0.270717 0.569692 O\n0.236813 0.071933 0.768584 O\n0.475987 0.664325 0.179145 O\n0.673990 0.818126 0.028351 O\n0.598777 0.449417 0.419594 O\n0.843971 0.090564 0.838365 O\n0.144732 0.796505 0.136635 O\n0.909652 0.525919 0.414923 O\n0.112401 0.375794 0.565131 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.8739302221428122,
"density_atomic": 0.07719826926267553,
"volume": 932.6633963128388,
"volume_molar": 7.800875353188306,
"formula_full": "Li4 Fe8 P12 O48",
"formula_reduced": "LiFe2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -539.76967724,
"energy_per_atom": -7.496801072777777,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -488.74567724,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 44.4959655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.234000Z",
"spacegroup": 7
},
{
"id": "mp-31311",
"created_at": "2022-09-04T14:39:25.691139Z",
"structure_string": "Ga18 Ir4\n1.0\n6.452535 0.000000 0.000000\n0.000000 6.513419 0.000000\n0.000000 0.501803 8.909375\nGa Ir\n18 4\ndirect\n0.740632 0.030428 0.471928 Ga\n0.259368 0.030428 0.971928 Ga\n0.659343 0.214839 0.962005 Ga\n0.340657 0.214839 0.462005 Ga\n0.760536 0.599656 0.772971 Ga\n0.239464 0.599656 0.272971 Ga\n0.738309 0.397503 0.234264 Ga\n0.261691 0.397503 0.734264 Ga\n0.553638 0.612148 0.500034 Ga\n0.446362 0.612148 0.000034 Ga\n0.948666 0.400355 0.507754 Ga\n0.051334 0.400355 0.007754 Ga\n0.474984 0.892020 0.719229 Ga\n0.525016 0.892020 0.219229 Ga\n0.042799 0.092798 0.267765 Ga\n0.957201 0.092798 0.767765 Ga\n0.139285 0.800618 0.544033 Ga\n0.860715 0.800618 0.044033 Ga\n0.621999 0.259218 0.668809 Ir\n0.378001 0.259218 0.168809 Ir\n0.876230 0.737569 0.332838 Ir\n0.123770 0.737569 0.832838 Ir\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir",
"density": 8.975272863617917,
"density_atomic": 0.05875381293877156,
"volume": 374.44378329839816,
"volume_molar": 10.249787135135868,
"formula_full": "Ga18 Ir4",
"formula_reduced": "Ga9Ir2",
"formula_anonymous": "A2B9",
"energy": -96.70005967,
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"updated_at": "2021-11-28T01:34:35.818000Z",
"spacegroup": 7
},
{
"id": "mp-1227825",
"created_at": "2022-09-04T14:39:25.728116Z",
"structure_string": "Ba2 U4 V4 O24\n1.0\n8.465607 0.000000 0.000000\n0.000000 6.733805 0.000000\n0.000000 2.563755 10.257915\nBa U V O\n2 4 4 24\ndirect\n0.973430 0.468094 0.844868 Ba\n0.026570 0.468094 0.344868 Ba\n0.768539 0.017499 0.679237 U\n0.273154 0.984623 0.821484 U\n0.726846 0.984623 0.321484 U\n0.231461 0.017499 0.179237 U\n0.101210 0.883875 0.554442 V\n0.604594 0.117448 0.947076 V\n0.395406 0.117448 0.447076 V\n0.898790 0.883875 0.054442 V\n0.735470 0.740837 0.736728 O\n0.213420 0.255128 0.769100 O\n0.786580 0.255128 0.269100 O\n0.264530 0.740837 0.236728 O\n0.181980 0.052125 0.391387 O\n0.695069 0.959682 0.105841 O\n0.304931 0.959682 0.605841 O\n0.818020 0.052125 0.891387 O\n0.833434 0.287497 0.627872 O\n0.300256 0.709238 0.874544 O\n0.699744 0.709238 0.374544 O\n0.166566 0.287497 0.127872 O\n0.101535 0.637879 0.554578 O\n0.631402 0.359209 0.939513 O\n0.368598 0.359209 0.439513 O\n0.898465 0.637879 0.054578 O\n0.038810 0.895614 0.719961 O\n0.542355 0.077407 0.786370 O\n0.457645 0.077407 0.286370 O\n0.961190 0.895614 0.219961 O\n0.905834 0.976142 0.494610 O\n0.402846 0.043703 0.005487 O\n0.597154 0.043703 0.505487 O\n0.094166 0.976142 0.994610 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Ba",
"U",
"V",
"O"
],
"chemical_system": "Ba-O-U-V",
"density": 5.152682924844603,
"density_atomic": 0.058143501465804076,
"volume": 584.7601046179926,
"volume_molar": 10.357375473064346,
"formula_full": "Ba2 U4 V4 O24",
"formula_reduced": "BaU2V2O12",
"formula_anonymous": "AB2C2D12",
"energy": -310.39328242,
"energy_per_atom": -9.129214188823529,
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"band_gap": 1.9807,
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"total_magnetization": 1.45e-05,
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"updated_at": "2021-11-28T01:34:37.518000Z",
"spacegroup": 7
},
{
"id": "mp-1179627",
"created_at": "2022-09-04T14:39:26.052016Z",
"structure_string": "Zn16 N32 Cl64\n1.0\n12.813624 0.000000 -0.142605\n0.000000 8.823028 0.000000\n-0.394877 0.000000 37.197112\nZn N Cl\n16 32 64\ndirect\n0.236704 0.059897 0.479557 Zn\n0.236704 0.940103 0.979557 Zn\n0.247639 0.042423 0.721012 Zn\n0.247639 0.957577 0.221012 Zn\n0.650111 0.125127 0.600130 Zn\n0.650111 0.874873 0.100130 Zn\n0.564719 0.983620 0.854195 Zn\n0.564719 0.016380 0.354195 Zn\n0.853251 0.486824 0.011005 Zn\n0.853251 0.513176 0.511005 Zn\n0.773311 0.392120 0.779149 Zn\n0.773311 0.607880 0.279149 Zn\n0.079298 0.495481 0.898032 Zn\n0.079298 0.504519 0.398032 Zn\n0.233994 0.512820 0.598076 Zn\n0.233994 0.487180 0.098076 Zn\n0.126851 0.013012 0.820438 N\n0.126851 0.986988 0.320438 N\n0.089284 0.929097 0.582075 N\n0.089284 0.070903 0.082075 N\n0.813868 0.015279 0.927419 N\n0.813868 0.984721 0.427419 N\n0.825944 -0.005843 0.700278 N\n0.825944 0.005843 0.200278 N\n0.298886 0.968906 0.668435 N\n0.298886 0.031094 0.168434 N\n0.334121 0.078295 0.944395 N\n0.334121 0.921705 0.444395 N\n0.629271 0.062330 0.543223 N\n0.629271 0.937670 0.043223 N\n0.525528 0.951510 0.780983 N\n0.525528 0.048489 0.280983 N\n0.621774 0.502672 0.676219 N\n0.621774 0.497328 0.176219 N\n0.595362 0.499909 0.944444 N\n0.595362 0.500091 0.444444 N\n0.348993 0.538860 0.556381 N\n0.348993 0.461140 0.056381 N\n0.308521 0.531419 0.823179 N\n0.308521 0.468581 0.323179 N\n0.816593 0.571973 0.816748 N\n0.816593 0.428027 0.316748 N\n0.689983 0.540211 0.582775 N\n0.689983 0.459789 0.082775 N\n0.110858 0.509300 0.956496 N\n0.110858 0.490700 0.456496 N\n0.095298 0.422106 0.701548 N\n0.095298 0.577894 0.201548 N\n0.220124 0.967270 0.584999 Cl\n0.220124 0.032730 0.084999 Cl\n0.112228 0.910346 0.489034 Cl\n0.112228 0.089654 0.989034 Cl\n0.329759 0.257573 0.486215 Cl\n0.329759 0.742427 0.986215 Cl\n0.403804 0.778028 0.453721 Cl\n0.403804 0.221972 0.953721 Cl\n0.248901 0.001897 0.831235 Cl\n0.248901 -0.001897 0.331235 Cl\n0.135239 0.872964 0.729325 Cl\n0.135239 0.127036 0.229325 Cl\n0.347391 0.228382 0.729691 Cl\n0.347391 0.771618 0.229691 Cl\n0.473584 0.815414 0.758595 Cl\n0.473584 0.184586 0.258595 Cl\n0.701755 0.019743 0.703013 Cl\n0.701755 0.980257 0.203013 Cl\n0.813361 0.121108 0.604407 Cl\n0.813361 0.878892 0.104407 Cl\n0.611676 0.676553 0.591051 Cl\n0.611676 0.323447 0.091051 Cl\n0.491296 0.133741 0.613444 Cl\n0.491296 0.866259 0.113444 Cl\n0.691618 0.974837 0.941504 Cl\n0.691618 0.025163 0.441504 Cl\n0.814024 0.048666 0.882064 Cl\n0.814024 0.951334 0.382064 Cl\n0.588371 0.748864 0.854402 Cl\n0.588371 0.251136 0.354402 Cl\n0.529082 0.211533 0.863203 Cl\n0.529082 0.788467 0.363203 Cl\n0.713568 0.493288 0.925308 Cl\n0.713568 0.506712 0.425308 Cl\n0.605599 0.553430 0.988760 Cl\n0.605599 0.446570 0.488760 Cl\n0.890736 0.714330 0.003721 Cl\n0.890736 0.285670 0.503721 Cl\n0.825826 0.254817 0.015811 Cl\n0.825826 0.745183 0.515811 Cl\n0.746225 0.515838 0.682790 Cl\n0.746225 0.484162 0.182790 Cl\n0.609975 0.409015 0.772428 Cl\n0.609975 0.590985 0.272428 Cl\n0.861131 0.733182 0.806624 Cl\n0.861131 0.266818 0.306624 Cl\n0.920797 0.297887 0.767621 Cl\n0.920797 0.702113 0.267621 Cl\n0.188640 0.497515 0.805233 Cl\n0.188640 0.502485 0.305233 Cl\n0.305466 0.552610 0.869221 Cl\n0.305466 0.447390 0.369221 Cl\n0.088582 0.258689 0.891886 Cl\n0.088582 0.741311 0.391886 Cl\n0.032199 0.722803 0.890159 Cl\n0.032199 0.277197 0.390159 Cl\n0.114233 0.420049 0.565030 Cl\n0.114233 0.579951 0.065030 Cl\n0.321774 0.585300 0.643466 Cl\n0.321774 0.414700 0.143466 Cl\n0.057238 0.325126 0.666791 Cl\n0.057238 0.674874 0.166791 Cl\n0.053535 0.814559 0.616598 Cl\n0.053535 0.185441 0.116598 Cl\n",
"nsites": 112,
"nelements": 3,
"elements": [
"Zn",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zn",
"density": 1.4863543861459805,
"density_atomic": 0.026636090363464874,
"volume": 4204.821295906988,
"volume_molar": 22.60895153089062,
"formula_full": "Zn16 N32 Cl64",
"formula_reduced": "Zn(NCl2)2",
"formula_anonymous": "AB2C4",
"energy": -379.34325946,
"energy_per_atom": -3.3869933880357146,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:37.170000Z",
"spacegroup": 7
},
{
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{
"id": "mp-1647114",
"created_at": "2022-09-04T14:39:29.533257Z",
"structure_string": "Li4 Co4 P8 O28\n1.0\n-0.000283 0.000289 5.052722\n8.776089 -0.219142 -0.001006\n-2.840036 14.308854 0.000601\nLi Co P O\n4 4 8 28\ndirect\n0.932286 0.410495 0.449068 Li\n0.419603 0.906847 0.949458 Li\n0.567671 0.910464 0.449048 Li\n0.080285 0.406849 0.949465 Li\n0.231806 0.253066 0.744670 Co\n0.268214 0.753072 0.744648 Co\n0.731531 0.754436 0.248688 Co\n0.768503 0.254470 0.248704 Co\n0.095954 0.038046 0.346884 P\n0.606017 0.538363 0.849459 P\n0.404020 0.538015 0.346873 P\n0.893951 0.038268 0.849434 P\n0.411918 0.454359 0.150225 P\n0.885920 0.954959 0.649366 P\n0.088097 0.954349 0.150241 P\n0.614145 0.454989 0.649394 P\n0.536458 0.699977 0.346640 O\n0.030365 0.197197 0.847443 O\n0.963565 0.199968 0.346655 O\n0.469618 0.697243 0.847449 O\n0.574953 0.304835 0.153728 O\n0.058188 0.810271 0.653668 O\n0.925254 0.804714 0.153723 O\n0.442023 0.310201 0.653663 O\n0.259456 0.990019 0.248719 O\n0.772405 0.491263 0.749921 O\n0.240566 0.489893 0.248718 O\n0.727609 0.991158 0.749897 O\n0.867301 0.914949 0.342040 O\n0.382853 0.412298 0.842126 O\n0.632663 0.414969 0.342034 O\n0.117089 0.912250 0.842108 O\n0.599094 0.596549 0.157174 O\n0.070979 0.098553 0.656858 O\n0.900754 0.096435 0.157231 O\n0.428946 0.598507 0.656901 O\n0.282249 0.043650 0.425976 O\n0.799105 0.542454 0.926358 O\n0.217703 0.543668 0.425976 O\n0.700808 0.042411 0.926333 O\n0.272624 0.929215 0.069705 O\n0.807276 0.430785 0.571477 O\n0.227376 0.429124 0.069697 O\n0.692797 0.930666 0.571452 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.522995630671419,
"density_atomic": 0.06969139862138601,
"volume": 631.3548137990423,
"volume_molar": 8.64115354136687,
"formula_full": "Li4 Co4 P8 O28",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -319.62729399,
"energy_per_atom": -7.264256681590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.83929399,
"band_gap": 0.6919,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0530952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.937000Z",
"spacegroup": 7
}
]
}