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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10239",
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"results": [
{
"id": "mp-1233700",
"created_at": "2022-09-04T14:39:38.589288Z",
"structure_string": "Mg1 Ti2 Zn2 P2 O10\n1.0\n3.728222 0.077699 4.309661\n-3.215305 6.788342 0.103685\n0.183969 0.208559 8.497443\nMg Ti Zn P O\n1 2 2 2 10\ndirect\n0.064692 0.814841 0.080652 Mg\n0.423283 0.463294 0.552809 Ti\n0.497498 0.994401 0.511473 Ti\n0.389809 0.279606 0.252514 Zn\n0.736362 0.824992 0.637494 Zn\n0.520056 0.275479 0.829156 P\n0.460197 0.727788 0.177782 P\n0.767914 0.216830 0.580380 O\n0.400873 0.427564 0.808122 O\n0.300396 0.846905 0.367128 O\n0.527359 0.565746 0.245003 O\n0.162234 0.632528 0.197623 O\n0.901158 0.872795 0.901304 O\n0.769077 0.352675 0.858441 O\n0.129734 0.090815 0.089458 O\n0.557251 0.735873 0.491299 O\n0.465463 0.230405 0.436897 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Mg",
"Ti",
"Zn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Ti-Zn",
"density": 3.7595418540971877,
"density_atomic": 0.08140641618992196,
"volume": 208.82874834262245,
"volume_molar": 7.397624219140525,
"formula_full": "Mg1 Ti2 Zn2 P2 O10",
"formula_reduced": "MgTi2Zn2(PO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -121.56988557,
"energy_per_atom": -7.151169739411764,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -114.69988557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1475005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.615000Z",
"spacegroup": 1
},
{
"id": "mp-1233292",
"created_at": "2022-09-04T14:43:40.064269Z",
"structure_string": "Mg1 Ti2 Zn2 P2 O10\n1.0\n4.305190 0.648733 4.741560\n-2.727646 5.964785 0.223838\n0.719703 0.548742 8.902113\nMg Ti Zn P O\n1 2 2 2 10\ndirect\n0.054833 0.672904 0.625630 Mg\n0.576545 0.476185 0.510791 Ti\n0.672148 0.026759 0.476088 Ti\n0.411295 0.225007 0.273648 Zn\n0.147971 0.809434 0.971447 Zn\n0.604377 0.262417 0.824463 P\n0.409705 0.726486 0.159837 P\n0.820041 0.151263 0.603520 O\n0.601951 0.468680 0.730854 O\n0.295924 0.892047 0.315545 O\n0.397987 0.542241 0.287852 O\n0.113616 0.625753 0.209320 O\n0.771087 0.828821 0.873806 O\n0.808877 0.345466 0.855406 O\n0.216790 0.112350 0.090852 O\n0.496838 0.740568 0.504975 O\n0.554322 0.228561 0.411835 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Mg",
"Ti",
"Zn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Ti-Zn",
"density": 3.626694069005898,
"density_atomic": 0.07852982576939908,
"volume": 216.47825948220088,
"volume_molar": 7.668603235774226,
"formula_full": "Mg1 Ti2 Zn2 P2 O10",
"formula_reduced": "MgTi2Zn2(PO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -122.49318755,
"energy_per_atom": -7.205481620588236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.62318755,
"band_gap": 0.2161999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.01093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.425000Z",
"spacegroup": 1
},
{
"id": "mp-1233970",
"created_at": "2022-09-04T14:44:08.780734Z",
"structure_string": "Mg1 Ti2 Zn2 P2 O10\n1.0\n4.229174 0.183809 4.352995\n-3.449801 6.550954 0.027786\n0.253752 0.161045 8.524173\nMg Ti Zn P O\n1 2 2 2 10\ndirect\n0.136487 0.896991 0.235982 Mg\n0.330205 0.477195 0.559266 Ti\n0.520235 0.010890 0.482264 Ti\n0.016596 0.077410 0.551436 Zn\n0.624505 0.728283 0.731196 Zn\n0.500890 0.282678 0.831957 P\n0.613998 0.761614 0.098005 P\n0.637448 0.164284 0.648510 O\n0.416795 0.436653 0.780065 O\n0.532198 0.925464 0.224269 O\n0.479811 0.563709 0.262321 O\n0.366849 0.716942 0.075019 O\n0.014998 0.836514 0.841451 O\n0.810042 0.392054 0.791552 O\n0.158301 0.135486 0.105862 O\n0.600269 0.748806 0.480848 O\n0.397063 0.243857 0.495310 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Mg",
"Ti",
"Zn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Ti-Zn",
"density": 3.385565474427548,
"density_atomic": 0.07330860055437885,
"volume": 231.89639239381933,
"volume_molar": 8.214780686657491,
"formula_full": "Mg1 Ti2 Zn2 P2 O10",
"formula_reduced": "MgTi2Zn2(PO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -122.54700621,
"energy_per_atom": -7.208647424117648,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.67700621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0705855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.811000Z",
"spacegroup": 1
},
{
"id": "mp-1192073",
"created_at": "2022-09-04T14:45:58.618964Z",
"structure_string": "Mg1 Tl2 P4 O16\n1.0\n-6.921476 0.000000 0.000000\n-0.235968 -7.441024 0.000000\n1.096533 3.021038 7.146580\nMg Tl P O\n1 2 4 16\ndirect\n0.500000 0.500000 0.000000 Mg\n0.244746 0.934539 0.786727 Tl\n0.755254 0.065461 0.213273 Tl\n0.824866 0.256962 0.727781 P\n0.175134 0.743038 0.272219 P\n0.732355 0.655982 0.737793 P\n0.267645 0.344018 0.262207 P\n0.033964 0.257910 0.831000 O\n0.966036 0.742090 0.169000 O\n0.797218 0.072071 0.548661 O\n0.202782 0.927929 0.451339 O\n0.672808 0.279955 0.856352 O\n0.327192 0.720045 0.143648 O\n0.814838 0.437520 0.660483 O\n0.185162 0.562480 0.339517 O\n0.625144 0.690407 0.568014 O\n0.374856 0.309593 0.431986 O\n0.904518 0.802325 0.811679 O\n0.095482 0.197675 0.188321 O\n0.601924 0.676881 0.885638 O\n0.398076 0.323119 0.114362 O\n0.249670 0.456028 0.785852 O\n0.750330 0.543972 0.214148 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"Tl",
"P",
"O"
],
"chemical_system": "Mg-O-P-Tl",
"density": 3.6676426616861937,
"density_atomic": 0.062488219992014524,
"volume": 368.0693737625941,
"volume_molar": 9.63724164453649,
"formula_full": "Mg1 Tl2 P4 O16",
"formula_reduced": "MgTl2(PO4)4",
"formula_anonymous": "AB2C4D16",
"energy": -148.85210764,
"energy_per_atom": -6.471830766956522,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.86010764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0018546,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.629000Z",
"spacegroup": 2
},
{
"id": "mp-1208919",
"created_at": "2022-09-04T14:40:34.411274Z",
"structure_string": "Sm4 Mg2 Pt2 O12\n1.0\n5.760012 0.000000 0.000000\n0.000000 5.457167 0.000000\n0.000000 5.415931 7.832758\nSm Mg Pt O\n4 2 2 12\ndirect\n0.433401 0.231709 0.749005 Sm\n0.566599 0.768291 0.250995 Sm\n0.933401 0.768291 0.750995 Sm\n0.066599 0.231709 0.249005 Sm\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.038265 0.356850 0.752100 O\n0.961735 0.643150 0.247900 O\n0.538265 0.643150 0.747900 O\n0.461735 0.356850 0.252100 O\n0.702023 0.865108 0.942770 O\n0.297977 0.134892 0.057230 O\n0.202023 0.134892 0.557230 O\n0.797977 0.865108 0.442770 O\n0.198053 0.750681 0.945622 O\n0.801947 0.249319 0.054378 O\n0.698053 0.249319 0.554378 O\n0.301947 0.750681 0.445622 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Pt",
"O"
],
"chemical_system": "Mg-O-Pt-Sm",
"density": 8.310530871449632,
"density_atomic": 0.08123153394774722,
"volume": 246.20980336115707,
"volume_molar": 7.4135504616640455,
"formula_full": "Sm4 Mg2 Pt2 O12",
"formula_reduced": "Sm2MgPtO6",
"formula_anonymous": "ABC2D6",
"energy": -151.37208087,
"energy_per_atom": -7.5686040435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -143.12808087,
"band_gap": 2.0802,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.285000Z",
"spacegroup": 14
},
{
"id": "mp-6064",
"created_at": "2022-09-04T14:43:10.034354Z",
"structure_string": "Sr6 Mg2 Pt2 O12\n1.0\n4.687392 -4.868553 0.000000\n4.687392 4.868553 0.000000\n-0.369323 0.000000 6.748189\nSr Mg Pt O\n6 2 2 12\ndirect\n0.614720 0.250000 0.885280 Sr\n0.885280 0.614720 0.250000 Sr\n0.750000 0.114720 0.385280 Sr\n0.385280 0.750000 0.114720 Sr\n0.114720 0.385280 0.750000 Sr\n0.250000 0.885280 0.614720 Sr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.594816 0.788833 0.464525 O\n0.464525 0.594816 0.788833 O\n0.788833 0.464525 0.594816 O\n0.905184 0.035475 0.711167 O\n0.711167 0.905184 0.035475 O\n0.035475 0.711167 0.905184 O\n0.405184 0.211167 0.535475 O\n0.535475 0.405184 0.211167 O\n0.211167 0.535475 0.405184 O\n0.094816 0.964525 0.288833 O\n0.964525 0.288833 0.094816 O\n0.288833 0.094816 0.964525 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Pt",
"O"
],
"chemical_system": "Mg-O-Pt-Sr",
"density": 6.235092055281237,
"density_atomic": 0.07142895079421477,
"volume": 307.99836418403396,
"volume_molar": 8.430952286209068,
"formula_full": "Sr6 Mg2 Pt2 O12",
"formula_reduced": "Sr3MgPtO6",
"formula_anonymous": "ABC3D6",
"energy": -142.65684276,
"energy_per_atom": -6.484401943636363,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -134.41284276,
"band_gap": 2.6841000000000004,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.189000Z",
"spacegroup": 167
},
{
"id": "mp-1186787",
"created_at": "2022-09-04T14:44:54.080596Z",
"structure_string": "Pu1 Mg1 O3\n1.0\n3.827910 0.000000 0.000000\n0.000000 3.827910 0.000000\n0.000000 0.000000 3.827910\nPu Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Mg",
"O"
],
"chemical_system": "Mg-O-Pu",
"density": 9.364132025367192,
"density_atomic": 0.08914250815589762,
"volume": 56.08996317733968,
"volume_molar": 6.755633069543129,
"formula_full": "Pu1 Mg1 O3",
"formula_reduced": "PuMgO3",
"formula_anonymous": "ABC3",
"energy": -44.70359248999999,
"energy_per_atom": -8.940718497999999,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -42.64259249,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.221000Z",
"spacegroup": 221
},
{
"id": "mp-1197247",
"created_at": "2022-09-04T14:47:46.535342Z",
"structure_string": "Mg2 U4 P4 O44\n1.0\n19.089367 0.000000 0.000000\n0.000000 6.967040 0.000000\n0.000000 6.534151 6.975371\nMg U P O\n2 4 4 44\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.801252 0.080202 0.971758 U\n0.301252 0.919798 0.528242 U\n0.198748 0.919798 0.028242 U\n0.698748 0.080202 0.471758 U\n0.751255 0.580838 0.470655 P\n0.251255 0.419162 0.029345 P\n0.248745 0.419162 0.529345 P\n0.748745 0.580838 0.970655 P\n0.896981 0.083181 0.970974 O\n0.396981 0.916819 0.529026 O\n0.103019 0.916819 0.029026 O\n0.603019 0.083181 0.470974 O\n0.706563 0.081234 0.971674 O\n0.206563 0.918766 0.528326 O\n0.293437 0.918766 0.028326 O\n0.793437 0.081234 0.471674 O\n0.799555 0.779589 0.297111 O\n0.299555 0.220411 0.202889 O\n0.200445 0.220411 0.702889 O\n0.700445 0.779589 0.797111 O\n0.796432 0.430020 0.942951 O\n0.296432 0.569980 0.557049 O\n0.203568 0.569980 0.057049 O\n0.703568 0.430020 0.442951 O\n0.799180 0.379852 0.648601 O\n0.299180 0.620148 0.851399 O\n0.200820 0.620148 0.351399 O\n0.700820 0.379852 0.148601 O\n0.796032 0.725237 0.005356 O\n0.296032 0.274763 0.494644 O\n0.203968 0.274763 0.994644 O\n0.703968 0.725237 0.505356 O\n0.073569 0.762857 0.399614 O\n0.573569 0.237143 0.100386 O\n0.926431 0.237143 0.600386 O\n0.426431 0.762857 0.899614 O\n0.579711 0.766881 0.153285 O\n0.079711 0.233119 0.346715 O\n0.420289 0.233119 0.846715 O\n0.920289 0.766881 0.653285 O\n0.570858 0.773135 0.022175 O\n0.070858 0.226865 0.477825 O\n0.429142 0.226865 0.977825 O\n0.929142 0.773135 0.522175 O\n0.557742 0.499188 0.618724 O\n0.057742 0.500812 0.881276 O\n0.442258 0.500812 0.381276 O\n0.942258 0.499188 0.118724 O\n0.970286 0.617443 0.157809 O\n0.470286 0.382557 0.342191 O\n0.029714 0.382557 0.842191 O\n0.529714 0.617443 0.657809 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Mg",
"U",
"P",
"O"
],
"chemical_system": "Mg-O-P-U",
"density": 3.273100295965596,
"density_atomic": 0.05820852801321705,
"volume": 927.699116317433,
"volume_molar": 10.345804928502211,
"formula_full": "Mg2 U4 P4 O44",
"formula_reduced": "MgU2(PO11)2",
"formula_anonymous": "AB2C2D22",
"energy": -369.96201617,
"energy_per_atom": -6.8511484475925934,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -362.87801617,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 17.7356678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.461000Z",
"spacegroup": 14
},
{
"id": "mp-1233209",
"created_at": "2022-09-04T14:47:45.809801Z",
"structure_string": "Mg1 V4 P4 O20\n1.0\n4.877331 -0.076463 1.824639\n1.278367 9.617840 3.609137\n-0.034727 0.144620 7.459404\nMg V P O\n1 4 4 20\ndirect\n0.589196 0.705717 0.966289 Mg\n0.071284 0.464986 0.014946 V\n0.967755 0.737072 0.238281 V\n0.546884 0.251311 0.727846 V\n0.968435 0.987838 0.476584 V\n0.586445 0.044440 0.191842 P\n0.398514 0.448164 0.309014 P\n0.322274 0.963426 0.794136 P\n0.688528 0.546132 0.711348 P\n0.272147 0.075586 0.294917 O\n0.184963 0.393892 0.264169 O\n0.045770 0.842451 0.417085 O\n0.252804 0.858665 0.012293 O\n0.324194 0.612065 0.259665 O\n0.294415 0.114436 0.790862 O\n0.378189 0.381049 0.536248 O\n0.214127 0.331277 0.926214 O\n0.739558 0.082362 0.310981 O\n0.134593 0.943504 0.687445 O\n0.692129 0.421800 0.179270 O\n0.402098 0.582225 0.853973 O\n0.796222 0.174168 0.579969 O\n0.654386 0.138114 0.974083 O\n0.891486 0.583415 0.792700 O\n0.663385 0.889747 0.209968 O\n0.722254 0.640296 0.493308 O\n0.907569 0.664900 0.085369 O\n0.628348 0.904438 0.708844 O\n0.737056 0.391525 0.719139 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Mg",
"V",
"P",
"O"
],
"chemical_system": "Mg-O-P-V",
"density": 3.1966403311090934,
"density_atomic": 0.08308126497823441,
"volume": 349.05583115034904,
"volume_molar": 7.2484943044351535,
"formula_full": "Mg1 V4 P4 O20",
"formula_reduced": "MgV4(PO5)4",
"formula_anonymous": "AB4C4D20",
"energy": -233.38752643,
"energy_per_atom": -8.047845738965517,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -212.84752643,
"band_gap": 0.808,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.489000Z",
"spacegroup": 1
},
{
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}