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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11482",
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"results": [
{
"id": "mp-768668",
"created_at": "2022-09-04T14:45:15.325914Z",
"structure_string": "Li4 Ti3 V3 W2 O16\n1.0\n2.997674 5.212030 0.000000\n-2.997674 5.212030 0.000000\n0.000000 0.265533 9.872740\nLi Ti V W O\n4 3 3 2 16\ndirect\n0.665206 0.665206 0.101079 Li\n0.996163 0.996163 0.011543 Li\n0.002693 0.002693 0.505748 Li\n0.332451 0.332451 0.598740 Li\n0.336446 0.838907 0.785668 Ti\n0.838907 0.336446 0.785668 Ti\n0.173584 0.173584 0.279882 Ti\n0.826072 0.826072 0.787945 V\n0.185423 0.651766 0.288806 V\n0.651766 0.185423 0.288806 V\n0.669792 0.669792 0.510800 W\n0.339333 0.339333 0.012472 W\n0.336771 0.836114 0.404968 O\n0.522399 0.522399 0.657288 O\n0.650623 0.650623 0.894210 O\n0.005288 0.005288 0.691662 O\n0.007153 0.007153 0.197711 O\n0.836114 0.336771 0.404968 O\n0.507318 0.961192 0.655549 O\n0.961192 0.507318 0.655549 O\n0.162994 0.162994 0.891524 O\n0.829960 0.829960 0.410952 O\n0.038098 0.474273 0.157524 O\n0.474273 0.038098 0.157524 O\n0.319356 0.319356 0.399001 O\n0.169862 0.674578 0.900549 O\n0.485730 0.485730 0.155496 O\n0.674578 0.169862 0.900549 O\n",
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"elements": [
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],
"chemical_system": "Li-O-Ti-V-W",
"density": 5.101927047914227,
"density_atomic": 0.09076094890515332,
"volume": 308.50272432982666,
"volume_molar": 6.635167252706046,
"formula_full": "Li4 Ti3 V3 W2 O16",
"formula_reduced": "Li4Ti3V3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -238.40604267,
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"updated_at": "2021-11-28T01:36:58.911000Z",
"spacegroup": 8
},
{
"id": "mp-1235469",
"created_at": "2022-09-04T14:48:11.313081Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.954001 -0.009617 4.127171\n-3.422339 6.684139 -0.029037\n0.228352 0.056533 8.083556\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.992990 0.633981 0.684100 Li\n0.514210 0.494536 0.508201 Ti\n0.525920 0.010589 0.479354 Ti\n0.378496 0.259686 0.256381 Zn\n0.496211 0.803718 0.806743 Zn\n0.552883 0.254528 0.841553 P\n0.461383 0.733691 0.155763 P\n0.650278 0.110533 0.680592 O\n0.566699 0.430359 0.734161 O\n0.377207 0.869243 0.319509 O\n0.467857 0.559333 0.251996 O\n0.140074 0.655409 0.182109 O\n0.844944 0.843445 0.846886 O\n0.857489 0.347203 0.827703 O\n0.155212 0.135915 0.144865 O\n0.460708 0.740653 0.594873 O\n0.511748 0.252119 0.411076 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Li-O-P-Ti-Zn",
"density": 3.6661510666604626,
"density_atomic": 0.08241081921892547,
"volume": 206.28359432806107,
"volume_molar": 7.307463773660714,
"formula_full": "Li1 Ti2 Zn2 P2 O10",
"formula_reduced": "LiTi2Zn2(PO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -123.06948606,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:37.277000Z",
"spacegroup": 1
},
{
"id": "mp-1235255",
"created_at": "2022-09-04T14:41:10.870301Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.865282 -0.012923 4.180570\n-3.387720 6.488871 0.004596\n0.075694 0.012393 8.331058\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.058640 0.871827 0.142663 Li\n0.495373 0.481964 0.509814 Ti\n0.498287 0.013253 0.518790 Ti\n0.521093 0.297284 0.174505 Zn\n0.771397 0.767659 0.655892 Zn\n0.520126 0.266522 0.857811 P\n0.477074 0.733952 0.145457 P\n0.505884 0.084939 0.765970 O\n0.522645 0.439974 0.751252 O\n0.405731 0.883718 0.295161 O\n0.528646 0.575792 0.227716 O\n0.141818 0.640603 0.189035 O\n0.860450 0.848168 0.843834 O\n0.872036 0.358511 0.802679 O\n0.155915 0.170006 0.160421 O\n0.583865 0.770880 0.534369 O\n0.487712 0.240075 0.408834 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
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],
"chemical_system": "Li-O-P-Ti-Zn",
"density": 3.664792512522545,
"density_atomic": 0.08238028049931918,
"volume": 206.36006453195427,
"volume_molar": 7.310172681494778,
"formula_full": "Li1 Ti2 Zn2 P2 O10",
"formula_reduced": "LiTi2Zn2(PO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -123.11814831,
"energy_per_atom": -7.242244018235294,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.744000Z",
"spacegroup": 1
},
{
"id": "mp-1235829",
"created_at": "2022-09-04T14:39:12.662995Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.854366 0.103153 4.275134\n-3.147136 6.334255 -0.024065\n0.295349 0.101297 8.298042\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.062475 0.784854 0.019921 Li\n0.434623 0.504665 0.548967 Ti\n0.543976 0.005014 0.470558 Ti\n0.408705 0.271231 0.251969 Zn\n0.733669 0.749702 0.697068 Zn\n0.547623 0.248442 0.821145 P\n0.432781 0.751436 0.167469 P\n0.791124 0.166985 0.580084 O\n0.502900 0.434596 0.765641 O\n0.335100 0.904282 0.330588 O\n0.483161 0.591294 0.256936 O\n0.106138 0.656128 0.210654 O\n0.838556 0.871205 0.863163 O\n0.771515 0.329375 0.868680 O\n0.132672 0.065025 0.074005 O\n0.434760 0.756276 0.667462 O\n0.513579 0.262023 0.423224 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Zn",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti-Zn",
"density": 3.859794401667644,
"density_atomic": 0.0867636965510544,
"volume": 195.93448268996565,
"volume_molar": 6.9408531440985675,
"formula_full": "Li1 Ti2 Zn2 P2 O10",
"formula_reduced": "LiTi2Zn2(PO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -123.24962454,
"energy_per_atom": -7.249977914117647,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 3.0072649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.464000Z",
"spacegroup": 1
},
{
"id": "mp-1235872",
"created_at": "2022-09-04T14:45:54.462975Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.864932 0.070992 4.003068\n-3.344068 6.621389 0.095659\n0.075920 0.146531 7.969289\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.000258 0.500085 0.999636 Li\n0.499959 0.500032 0.499602 Ti\n0.500049 0.000018 0.499518 Ti\n0.232125 0.234227 0.342732 Zn\n0.768239 0.765876 0.656305 Zn\n0.542874 0.268764 0.851711 P\n0.457306 0.731268 0.147378 P\n0.643747 0.140161 0.674593 O\n0.489571 0.436664 0.775802 O\n0.356588 0.859948 0.324394 O\n0.510615 0.563432 0.223308 O\n0.131571 0.640440 0.181208 O\n0.846874 0.863469 0.850247 O\n0.868596 0.359612 0.817978 O\n0.153281 0.136555 0.148898 O\n0.472229 0.744766 0.608525 O\n0.528043 0.255366 0.390701 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Li",
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"P",
"O"
],
"chemical_system": "Li-O-P-Ti-Zn",
"density": 3.747453130805699,
"density_atomic": 0.08423839522127002,
"volume": 201.80821293361407,
"volume_molar": 7.148926263589861,
"formula_full": "Li1 Ti2 Zn2 P2 O10",
"formula_reduced": "LiTi2Zn2(PO5)2",
"formula_anonymous": "AB2C2D2E10",
"energy": -123.29582249,
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"updated_at": "2021-11-28T01:37:10.369000Z",
"spacegroup": 2
},
{
"id": "mp-1235302",
"created_at": "2022-09-04T14:40:32.568911Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.911683 -0.024201 4.150437\n-3.406980 6.384290 -0.012092\n0.077912 -0.002102 8.252552\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.120844 0.269600 0.415478 Li\n0.511469 0.506546 0.497553 Ti\n0.459770 0.008014 0.528867 Ti\n0.806238 0.256790 0.054469 Zn\n0.476664 0.770050 0.827037 Zn\n0.457694 0.247454 0.904370 P\n0.490910 0.754428 0.145794 P\n0.505360 0.084793 0.769130 O\n0.403915 0.404011 0.815195 O\n0.511872 0.936212 0.241587 O\n0.485086 0.580405 0.254306 O\n0.130242 0.663819 0.207667 O\n0.837287 0.846743 0.843164 O\n0.845978 0.359118 0.808453 O\n0.111634 0.157289 0.198978 O\n0.473861 0.752448 0.600935 O\n0.480246 0.254815 0.396218 O\n",
"nsites": 17,
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"elements": [
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],
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"density": 3.7185220333592315,
"density_atomic": 0.08358805774250438,
"volume": 203.37833488569657,
"volume_molar": 7.20454682480049,
"formula_full": "Li1 Ti2 Zn2 P2 O10",
"formula_reduced": "LiTi2Zn2(PO5)2",
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"energy": -123.18359781,
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"updated_at": "2021-11-28T01:34:56.721000Z",
"spacegroup": 1
},
{
"id": "mp-1232978",
"created_at": "2022-09-04T14:42:09.106351Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.900190 -0.046233 4.092159\n-3.452426 6.824884 -0.018285\n0.182376 0.047078 8.052040\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.100661 0.892764 0.224912 Li\n0.479197 0.489824 0.512159 Ti\n0.491991 0.004438 0.499759 Ti\n0.368469 0.272747 0.264006 Zn\n0.594839 0.717454 0.760100 Zn\n0.558875 0.273052 0.832116 P\n0.470038 0.730146 0.153239 P\n0.672584 0.143245 0.659991 O\n0.515230 0.433491 0.754426 O\n0.371780 0.873461 0.306567 O\n0.471253 0.563297 0.257000 O\n0.152290 0.648768 0.171798 O\n0.862297 0.838045 0.846841 O\n0.851888 0.364757 0.829538 O\n0.156728 0.142598 0.138336 O\n0.554609 0.765635 0.551194 O\n0.483961 0.245112 0.433329 O\n",
"nsites": 17,
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],
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"density": 3.64832267123381,
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"formula_full": "Li1 Ti2 Zn2 P2 O10",
"formula_reduced": "LiTi2Zn2(PO5)2",
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"updated_at": "2021-11-28T01:35:31.715000Z",
"spacegroup": 1
},
{
"id": "mp-1235281",
"created_at": "2022-09-04T14:42:09.268738Z",
"structure_string": "Li1 Tl6 C2 O6 F2\n1.0\n6.660001 0.211918 0.630768\n-0.154396 6.445451 -3.727588\n0.760246 0.320439 8.204324\nLi Tl C O F\n1 6 2 6 2\ndirect\n0.015382 0.956692 0.015494 Li\n0.269499 0.595689 0.400764 Tl\n0.740162 0.914607 0.687572 Tl\n0.792504 0.368079 0.559762 Tl\n0.317847 0.060055 0.332915 Tl\n0.239949 0.271333 0.856408 Tl\n0.674684 0.651686 0.083226 Tl\n0.224667 0.672586 0.820407 C\n0.737176 0.296830 0.154876 C\n0.143496 0.712067 0.991669 O\n0.186909 0.805973 0.765750 O\n0.334818 0.508177 0.706813 O\n0.715706 0.267665 0.990604 O\n0.807040 0.150628 0.176950 O\n0.690623 0.476345 0.298168 O\n0.033128 0.085887 0.587146 F\n0.545158 0.097369 0.571475 F\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "C-F-Li-O-Tl",
"density": 6.476947440891337,
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"volume": 356.6856107802123,
"volume_molar": 12.635358559911834,
"formula_full": "Li1 Tl6 C2 O6 F2",
"formula_reduced": "LiTl6C2(O3F)2",
"formula_anonymous": "AB2C2D6E6",
"energy": -94.58717358,
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"updated_at": "2021-11-28T01:35:41.602000Z",
"spacegroup": 1
},
{
"id": "mp-1235838",
"created_at": "2022-09-04T14:40:27.895435Z",
"structure_string": "Li1 Tl6 C2 O6 F2\n1.0\n6.087252 -0.148537 -0.063709\n-0.113952 6.262747 -4.321339\n-0.108454 0.152148 9.160775\nLi Tl C O F\n1 6 2 6 2\ndirect\n0.765810 0.825334 0.441472 Li\n0.252424 0.643308 0.444271 Tl\n0.725361 0.009570 0.865020 Tl\n0.765652 0.322667 0.570593 Tl\n0.259932 0.037526 0.241365 Tl\n0.245910 0.238588 0.794890 Tl\n0.751594 0.678432 0.048198 Tl\n0.298786 0.647332 0.793481 C\n0.717459 0.385519 0.261679 C\n0.339839 0.663685 0.942330 O\n0.302897 0.814291 0.788434 O\n0.254557 0.460043 0.651499 O\n0.689824 0.392286 0.123879 O\n0.703715 0.203927 0.244831 O\n0.758749 0.559073 0.416313 O\n0.029971 0.958497 0.466192 F\n0.543769 0.901588 0.355553 F\n",
"nsites": 17,
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"elements": [
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],
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"volume": 352.97091210984115,
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"formula_full": "Li1 Tl6 C2 O6 F2",
"formula_reduced": "LiTl6C2(O3F)2",
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"energy": -94.76404849,
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},
{
"id": "mp-754034",
"created_at": "2022-09-04T14:39:14.600122Z",
"structure_string": "Li4 Tl2 P2 C2 O14\n1.0\n6.711805 0.000000 0.000000\n0.000000 5.080108 0.000000\n0.000000 0.436130 8.991557\nLi Tl P C O\n4 2 2 2 14\ndirect\n0.995714 0.793795 0.797102 Li\n0.504286 0.793795 0.797102 Li\n0.495714 0.206205 0.202898 Li\n0.004286 0.206205 0.202898 Li\n0.250000 0.246858 0.634215 Tl\n0.750000 0.753142 0.365785 Tl\n0.750000 0.263921 0.590133 P\n0.250000 0.736079 0.409867 P\n0.250000 0.259876 0.940123 C\n0.750000 0.740124 0.059877 C\n0.750000 0.709113 0.920142 O\n0.250000 0.028954 0.882126 O\n0.250000 0.470234 0.845297 O\n0.932153 0.144074 0.673727 O\n0.567847 0.144074 0.673727 O\n0.250000 0.798377 0.577728 O\n0.750000 0.573391 0.594907 O\n0.250000 0.426609 0.405093 O\n0.750000 0.201623 0.422272 O\n0.432153 0.855926 0.326273 O\n0.067847 0.855926 0.326273 O\n0.750000 0.529766 0.154703 O\n0.750000 0.971046 0.117874 O\n0.250000 0.290887 0.079858 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.0432125106531664,
"density_atomic": 0.07828238784040238,
"volume": 306.58237008469666,
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{
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{
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]
}