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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10411",
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"results": [
{
"id": "mp-771323",
"created_at": "2022-09-04T14:48:29.367248Z",
"structure_string": "Tm8 Ti8 O28\n1.0\n5.282933 0.000000 0.000000\n0.000000 7.476049 0.000000\n0.000000 1.899447 13.009487\nTm Ti O\n8 8 28\ndirect\n0.775803 0.765115 0.926416 Tm\n0.358542 0.858836 0.560926 Tm\n0.246126 0.713571 0.136121 Tm\n0.778536 0.644461 0.385753 Tm\n0.278536 0.355539 0.614247 Tm\n0.746126 0.286429 0.863879 Tm\n0.858542 0.141164 0.439074 Tm\n0.275803 0.234885 0.073584 Tm\n0.282390 0.930362 0.320983 Ti\n0.769679 0.969957 0.121846 Ti\n0.793514 0.590437 0.671226 Ti\n0.268451 0.530713 0.874055 Ti\n0.768451 0.469287 0.125945 Ti\n0.293514 0.409563 0.328774 Ti\n0.269679 0.030043 0.878154 Ti\n0.782390 0.069638 0.679017 Ti\n0.429384 0.993494 0.177810 O\n0.564713 0.928229 0.408732 O\n0.663842 0.827963 0.682755 O\n0.360779 0.779300 0.880995 O\n0.064856 0.857218 0.432013 O\n0.045363 0.934819 0.025657 O\n0.951891 0.867288 0.233789 O\n0.100827 0.636700 0.617910 O\n0.927957 0.579469 0.823505 O\n0.386833 0.673538 0.304615 O\n0.644766 0.728266 0.088384 O\n0.587967 0.586493 0.550920 O\n0.542386 0.448998 0.972850 O\n0.453739 0.482010 0.763384 O\n0.953739 0.517990 0.236616 O\n0.042386 0.551002 0.027150 O\n0.087967 0.413507 0.449080 O\n0.144766 0.271734 0.911616 O\n0.886833 0.326462 0.695385 O\n0.427957 0.420531 0.176495 O\n0.600827 0.363300 0.382090 O\n0.451891 0.132712 0.766211 O\n0.545363 0.065181 0.974343 O\n0.564856 0.142782 0.567987 O\n0.860779 0.220700 0.119005 O\n0.163842 0.172037 0.317245 O\n0.064713 0.071771 0.591268 O\n0.929384 0.006506 0.822190 O\n",
"nsites": 44,
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"elements": [
"Tm",
"Ti",
"O"
],
"chemical_system": "O-Ti-Tm",
"density": 7.053011956181677,
"density_atomic": 0.08563380920935541,
"volume": 513.8157511179946,
"volume_molar": 7.032433586222025,
"formula_full": "Tm8 Ti8 O28",
"formula_reduced": "Tm2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy": -405.05772031,
"energy_per_atom": -9.205857279772728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -385.8217203100001,
"band_gap": 2.9789000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0068581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.975000Z",
"spacegroup": 4
},
{
"id": "mp-1221444",
"created_at": "2022-09-04T14:48:29.095444Z",
"structure_string": "Na4 Br2 Cl2 O12\n1.0\n6.744057 0.000000 0.000000\n0.000000 6.748777 0.000000\n0.000000 0.124536 6.747894\nNa Br Cl O\n4 2 2 12\ndirect\n0.573688 0.427078 0.820105 Na\n0.073688 0.572922 0.179895 Na\n0.426063 0.074927 0.327159 Na\n0.926063 0.925073 0.672841 Na\n0.908991 0.092028 0.157655 Br\n0.408991 0.907972 0.842345 Br\n0.083556 0.417632 0.667889 Cl\n0.583556 0.582368 0.332111 Cl\n0.009826 0.897034 0.039701 O\n0.104168 0.212407 0.254659 O\n0.787729 0.991787 0.353545 O\n0.509826 0.102966 0.960299 O\n0.604168 0.787593 0.745341 O\n0.287729 0.008213 0.646455 O\n0.998742 0.590432 0.551573 O\n0.910467 0.303678 0.755576 O\n0.196770 0.502357 0.840157 O\n0.498742 0.409568 0.448427 O\n0.410467 0.696322 0.244424 O\n0.696770 0.497643 0.159843 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Br",
"Cl",
"O"
],
"chemical_system": "Br-Cl-Na-O",
"density": 2.782658496036075,
"density_atomic": 0.06512015620582125,
"volume": 307.1245704139167,
"volume_molar": 9.247736969435687,
"formula_full": "Na4 Br2 Cl2 O12",
"formula_reduced": "Na2BrClO6",
"formula_anonymous": "ABC2D6",
"energy": -92.43915776,
"energy_per_atom": -4.621957888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -84.19515776,
"band_gap": 4.6949,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.717000Z",
"spacegroup": 4
},
{
"id": "mp-1042299",
"created_at": "2022-09-04T14:48:29.059797Z",
"structure_string": "Mg2 Mo4 O14\n1.0\n6.797899 0.000000 0.000000\n0.000000 6.459199 0.000000\n0.000000 2.383598 7.847873\nMg Mo O\n2 4 14\ndirect\n0.137504 0.099410 0.357461 Mg\n0.637504 0.900590 0.642539 Mg\n0.142563 0.898817 0.793023 Mo\n0.642563 0.101183 0.206977 Mo\n0.685202 0.364992 0.774163 Mo\n0.185202 0.635008 0.225837 Mo\n0.377262 0.578759 0.367167 O\n0.877262 0.421241 0.632833 O\n0.760579 0.042617 0.415266 O\n0.260579 0.957383 0.584734 O\n0.029962 0.400806 0.278397 O\n0.529962 0.599194 0.721603 O\n0.398436 0.186764 0.231856 O\n0.898436 0.813236 0.768144 O\n0.062239 0.871422 0.248622 O\n0.562239 0.128578 0.751378 O\n0.260352 0.699180 0.988280 O\n0.760352 0.300820 0.011720 O\n0.120844 0.137249 0.844512 O\n0.620844 0.862751 0.155488 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 3.1629106497336137,
"density_atomic": 0.058039632880964656,
"volume": 344.5921176141593,
"volume_molar": 10.375911185294713,
"formula_full": "Mg2 Mo4 O14",
"formula_reduced": "MgMo2O7",
"formula_anonymous": "AB2C7",
"energy": -158.10312785000002,
"energy_per_atom": -7.905156392500001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -135.67712785,
"band_gap": 3.6859,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007933,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:44.427000Z",
"spacegroup": 4
},
{
"id": "mp-1203968",
"created_at": "2022-09-04T14:48:28.624062Z",
"structure_string": "Ca2 Al4 Si12 O42\n1.0\n17.128188 0.000000 0.000000\n0.000000 7.399031 0.000000\n0.000000 2.327588 7.283352\nCa Al Si O\n2 4 12 42\ndirect\n0.764983 0.179847 0.302791 Ca\n0.264983 0.820153 0.697209 Ca\n0.636073 0.594813 0.250224 Al\n0.136073 0.405187 0.749776 Al\n0.900356 0.258124 0.930714 Al\n0.400356 0.741876 0.069286 Al\n0.976181 0.639915 0.654630 Si\n0.476181 0.360085 0.345370 Si\n0.628824 0.623936 0.665775 Si\n0.128824 0.376064 0.334225 Si\n0.760516 0.530435 0.970152 Si\n0.260516 0.469565 0.029848 Si\n0.561092 0.875341 0.872235 Si\n0.061092 0.124659 0.127765 Si\n0.893127 0.831470 0.904306 Si\n0.393127 0.168530 0.095694 Si\n0.503912 0.287061 0.754166 Si\n0.003912 0.712939 0.245834 Si\n0.570586 0.398273 0.310080 O\n0.070586 0.601727 0.689920 O\n0.654803 0.656263 0.453142 O\n0.154803 0.343737 0.546858 O\n0.718699 0.495812 0.171384 O\n0.218699 0.504188 0.828616 O\n0.603688 0.781619 0.066611 O\n0.103688 0.218381 0.933389 O\n0.945439 0.807692 0.734529 O\n0.445439 0.192308 0.265471 O\n0.931669 0.441908 0.743585 O\n0.431669 0.558092 0.256415 O\n0.959377 0.716968 0.432966 O\n0.459377 0.283032 0.567034 O\n0.699526 0.527325 0.807376 O\n0.199526 0.472675 0.192624 O\n0.605097 0.824189 0.701525 O\n0.105097 0.175811 0.298475 O\n0.554221 0.481080 0.715893 O\n0.054221 0.518920 0.284107 O\n0.808396 0.728110 0.903222 O\n0.308396 0.271890 0.096778 O\n0.814532 0.337470 0.017107 O\n0.314532 0.662530 0.982893 O\n0.970225 0.202746 0.111428 O\n0.470225 0.797254 0.888572 O\n0.562954 0.106301 0.824286 O\n0.062954 0.893699 0.175714 O\n0.878323 0.050571 0.881421 O\n0.378323 0.949429 0.118579 O\n0.936955 0.715102 0.096015 O\n0.436955 0.284898 0.903985 O\n0.746454 0.232948 0.632573 O\n0.246454 0.767052 0.367427 O\n0.773094 0.850124 0.321700 O\n0.273094 0.149876 0.678300 O\n0.793992 0.361517 0.564941 O\n0.293992 0.638483 0.435059 O\n0.625248 0.120993 0.333081 O\n0.125248 0.879007 0.666919 O\n0.903761 0.089510 0.367599 O\n0.403761 0.910490 0.632401 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 2.1535540518878293,
"density_atomic": 0.06500304222802489,
"volume": 923.0337218606684,
"volume_molar": 9.264398332119391,
"formula_full": "Ca2 Al4 Si12 O42",
"formula_reduced": "CaAl2(Si2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -425.40784418,
"energy_per_atom": -7.090130736333333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -418.64584418,
"band_gap": 0.384,
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"is_magnetic": true,
"total_magnetization": 16.0040223,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.085000Z",
"spacegroup": 4
},
{
"id": "mp-706225",
"created_at": "2022-09-04T14:48:28.616194Z",
"structure_string": "Sr6 La2 Mn4 W4 O24\n1.0\n5.817352 0.000000 0.000000\n0.000000 5.794942 0.000000\n0.000000 0.081903 16.176460\nSr La Mn W O\n6 2 4 4 24\ndirect\n0.022653 0.233122 0.999481 Sr\n0.021638 0.241049 0.501373 Sr\n0.477335 0.741289 0.755235 Sr\n0.522653 0.766878 0.000519 Sr\n0.521638 0.758951 0.498627 Sr\n0.977335 0.258711 0.244765 Sr\n0.470289 0.738455 0.241447 La\n0.970289 0.261545 0.758553 La\n0.000045 0.747548 0.877508 Mn\n0.998124 0.751184 0.374501 Mn\n0.500045 0.252452 0.122492 Mn\n0.498124 0.248816 0.625499 Mn\n0.998752 0.752996 0.124915 W\n0.000047 0.750247 0.624284 W\n0.498752 0.247004 0.875085 W\n0.500047 0.249753 0.375716 W\n0.986612 0.671228 0.506946 O\n0.986509 0.666333 0.010187 O\n0.779102 0.018407 0.106944 O\n0.781107 0.999776 0.603664 O\n0.771226 0.033742 0.892777 O\n0.757185 0.040931 0.398097 O\n0.725523 0.540373 0.153266 O\n0.749783 0.530173 0.648597 O\n0.732190 0.503993 0.847801 O\n0.711326 0.508770 0.352165 O\n0.518751 0.172643 0.754761 O\n0.511805 0.158293 0.259326 O\n0.486612 0.328772 0.493054 O\n0.486509 0.333667 0.989813 O\n0.281107 0.000224 0.396336 O\n0.279102 0.981593 0.893056 O\n0.271226 0.966258 0.107223 O\n0.257185 0.959069 0.601903 O\n0.249783 0.469827 0.351403 O\n0.225523 0.459627 0.846734 O\n0.232190 0.496007 0.152199 O\n0.211326 0.491230 0.647835 O\n0.018751 0.827357 0.245239 O\n0.011805 0.841707 0.740674 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"W",
"O"
],
"chemical_system": "La-Mn-O-Sr-W",
"density": 6.524362674381902,
"density_atomic": 0.07335032904440088,
"volume": 545.3281603656741,
"volume_molar": 8.210107355284856,
"formula_full": "Sr6 La2 Mn4 W4 O24",
"formula_reduced": "Sr3LaMn2(WO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy": -339.80385439,
"energy_per_atom": -8.49509635975,
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"energy_uncorrected": -298.89185439,
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"updated_at": "2021-11-28T01:39:22.172000Z",
"spacegroup": 4
},
{
"id": "mp-767204",
"created_at": "2022-09-04T14:48:28.584103Z",
"structure_string": "Li4 V2 Si12 O30\n1.0\n12.687732 0.000000 0.000000\n0.000000 6.870996 0.000000\n0.000000 2.638648 6.963082\nLi V Si O\n4 2 12 30\ndirect\n0.661430 0.857701 0.458555 Li\n0.835454 0.831747 0.158881 Li\n0.335454 0.168253 0.841119 Li\n0.161430 0.142299 0.541445 Li\n0.249650 0.738626 0.757034 V\n0.749650 0.261374 0.242966 V\n0.332938 0.968724 0.308078 Si\n0.155802 0.992572 0.023832 Si\n0.487815 0.700438 0.916415 Si\n0.990150 0.690696 0.704531 Si\n0.657246 0.468856 0.800841 Si\n0.334043 0.508894 0.477311 Si\n0.834043 0.491106 0.522689 Si\n0.157246 0.531144 0.199159 Si\n0.490150 0.309304 0.295469 Si\n0.987815 0.299562 0.083585 Si\n0.655802 0.007428 0.976168 Si\n0.832938 0.031276 0.691922 Si\n0.192021 0.993074 0.814608 O\n0.764421 0.927173 0.894256 O\n0.560101 0.843891 0.001342 O\n0.264962 0.962094 0.491350 O\n0.946345 0.911054 0.714937 O\n0.383173 0.830727 0.819418 O\n0.115894 0.698710 0.670825 O\n0.363800 0.734048 0.317908 O\n0.223949 0.546197 0.011401 O\n0.559283 0.638688 0.757257 O\n0.116508 0.766531 0.177544 O\n0.958742 0.515054 0.909546 O\n0.929464 0.651337 0.524690 O\n0.316333 0.501263 0.694779 O\n0.724048 0.572313 0.597111 O\n0.224048 0.427687 0.402889 O\n0.816333 0.498737 0.305221 O\n0.429464 0.348663 0.475310 O\n0.458742 0.484946 0.090454 O\n0.616508 0.233469 0.822456 O\n0.059283 0.361312 0.242743 O\n0.723949 0.453803 0.988599 O\n0.863800 0.265952 0.682092 O\n0.615894 0.301290 0.329175 O\n0.883173 0.169273 0.180582 O\n0.446345 0.088946 0.285063 O\n0.764962 0.037906 0.508650 O\n0.060101 0.156109 0.998658 O\n0.264421 0.072827 0.105744 O\n0.692021 0.006926 0.185392 O\n",
"nsites": 48,
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"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.5896175439269826,
"density_atomic": 0.07907442370612189,
"volume": 607.0230771253016,
"volume_molar": 7.615788364618547,
"formula_full": "Li4 V2 Si12 O30",
"formula_reduced": "Li2V(Si2O5)3",
"formula_anonymous": "AB2C6D15",
"energy": -384.4217402,
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"band_gap": 2.0913,
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"updated_at": "2021-11-28T01:39:19.260000Z",
"spacegroup": 4
},
{
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