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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=12096",
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"results": [
{
"id": "mp-1233744",
"created_at": "2022-09-04T14:48:11.326905Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.796590 0.036544 0.025791\n4.461606 7.581257 0.025793\n4.461606 2.563518 7.134735\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.743405 0.743405 0.743405 Mg\n0.149767 0.149767 0.149766 Fe\n0.353084 0.353084 0.353084 Fe\n0.625373 0.625374 0.625373 Fe\n0.014931 0.014935 0.014935 Ni\n0.492474 0.492472 0.492473 Ni\n0.873845 0.873845 0.873845 Sb\n0.052584 0.747270 0.444717 P\n0.444718 0.052584 0.747270 P\n0.747270 0.444718 0.052584 P\n0.253622 0.534663 0.961422 P\n0.534663 0.961422 0.253622 P\n0.961423 0.253622 0.534663 P\n0.098118 0.342783 0.483540 O\n0.342783 0.483539 0.098118 O\n0.072686 0.913521 0.255926 O\n0.483540 0.098118 0.342783 O\n0.997483 0.794496 0.620433 O\n0.245107 0.586726 0.431116 O\n0.255926 0.072686 0.913521 O\n0.431116 0.245107 0.586727 O\n0.145563 0.408080 0.029080 O\n0.586727 0.431115 0.245108 O\n0.105027 0.745487 0.956748 O\n0.408080 0.029079 0.145563 O\n0.620434 0.997483 0.794496 O\n0.913521 0.255927 0.072686 O\n0.391202 0.545511 0.758736 O\n0.794495 0.620434 0.997483 O\n0.545511 0.758736 0.391202 O\n0.745487 0.956748 0.105027 O\n0.758736 0.391202 0.545510 O\n0.029080 0.145563 0.408080 O\n0.491988 0.884115 0.699367 O\n0.956748 0.105027 0.745487 O\n0.699367 0.491989 0.884115 O\n0.884115 0.699368 0.491989 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Mg-Ni-O-P-Sb",
"density": 3.509865615033051,
"density_atomic": 0.0781428634762217,
"volume": 473.49173493314373,
"volume_molar": 7.706578044497299,
"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
"formula_reduced": "MgFe3Ni2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -276.69622246,
"energy_per_atom": -7.478276282702703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.35822246000004,
"band_gap": 0.1989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0000012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.313000Z",
"spacegroup": 146
},
{
"id": "mp-1234314",
"created_at": "2022-09-04T14:47:02.149106Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.767636 0.007306 0.005154\n4.421765 7.570967 0.005156\n4.421765 2.540626 7.131951\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.622595 0.622595 0.622595 Mg\n0.144537 0.144537 0.144536 Fe\n0.346961 0.346961 0.346961 Fe\n0.742301 0.742302 0.742301 Fe\n0.009119 0.009123 0.009123 Ni\n0.488372 0.488370 0.488371 Ni\n0.868053 0.868053 0.868053 Sb\n0.051040 0.742340 0.436636 P\n0.436637 0.051040 0.742340 P\n0.742340 0.436637 0.051040 P\n0.252033 0.529747 0.951634 P\n0.529747 0.951634 0.252033 P\n0.951635 0.252033 0.529747 P\n0.092879 0.336741 0.478345 O\n0.336741 0.478344 0.092879 O\n0.063596 0.910177 0.250185 O\n0.478345 0.092879 0.336741 O\n0.006810 0.790654 0.608302 O\n0.244144 0.584514 0.417528 O\n0.250185 0.063596 0.910177 O\n0.417528 0.244144 0.584515 O\n0.149987 0.399320 0.012988 O\n0.584515 0.417527 0.244145 O\n0.098706 0.738244 0.951580 O\n0.399320 0.012987 0.149987 O\n0.608303 0.006810 0.790654 O\n0.910177 0.250186 0.063596 O\n0.391242 0.546545 0.750073 O\n0.790653 0.608303 0.006810 O\n0.546545 0.750073 0.391242 O\n0.738244 0.951580 0.098706 O\n0.750073 0.391242 0.546544 O\n0.012988 0.149987 0.399320 O\n0.489719 0.881403 0.691258 O\n0.951580 0.098706 0.738244 O\n0.691258 0.489720 0.881403 O\n0.881403 0.691259 0.489720 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Mg-Ni-O-P-Sb",
"density": 3.513845136826492,
"density_atomic": 0.07823146265986951,
"volume": 472.9554931225891,
"volume_molar": 7.697850142701198,
"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
"formula_reduced": "MgFe3Ni2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -276.96262083,
"energy_per_atom": -7.485476238648649,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.62462083,
"band_gap": 0.0802999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.385000Z",
"spacegroup": 146
},
{
"id": "mp-707720",
"created_at": "2022-09-04T14:41:46.924764Z",
"structure_string": "Mg2 H80 C20 Br4 N40 O20\n1.0\n7.201742 0.000000 0.000000\n0.000000 9.871485 0.000000\n0.000000 1.636671 24.000630\nMg H C Br N O\n2 80 20 4 40 20\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.738713 0.771170 0.993996 H\n0.238713 0.228830 0.506004 H\n0.261287 0.228830 0.006004 H\n0.761287 0.771170 0.493996 H\n0.620659 0.679658 0.944655 H\n0.120659 0.320342 0.555345 H\n0.379341 0.320342 0.055345 H\n0.879341 0.679658 0.444655 H\n0.696945 0.733606 0.849219 H\n0.196945 0.266394 0.650781 H\n0.303055 0.266394 0.150781 H\n0.803055 0.733606 0.349219 H\n0.782979 0.892504 0.830812 H\n0.282979 0.107496 0.669188 H\n0.217021 0.107496 0.169188 H\n0.717021 0.892504 0.330812 H\n0.669277 0.737798 0.128116 H\n0.169277 0.262202 0.371884 H\n0.330723 0.262202 0.871884 H\n0.830723 0.737798 0.628116 H\n0.572810 0.863885 0.165956 H\n0.072810 0.136115 0.334044 H\n0.427190 0.136115 0.834044 H\n0.927190 0.863885 0.665956 H\n0.578490 0.092244 0.127248 H\n0.078490 0.907756 0.372752 H\n0.421510 0.907756 0.872752 H\n0.921510 0.092244 0.627248 H\n0.708758 0.130004 0.066890 H\n0.208758 0.869996 0.433110 H\n0.291242 0.869996 0.933110 H\n0.791242 0.130004 0.566890 H\n0.338347 0.601998 0.000335 H\n0.838347 0.398002 0.499665 H\n0.661653 0.398002 0.999665 H\n0.161653 0.601998 0.500335 H\n0.343490 0.570490 0.072466 H\n0.843490 0.429510 0.427534 H\n0.656510 0.429510 0.927534 H\n0.156510 0.570490 0.572466 H\n0.077090 0.852365 0.103861 H\n0.577090 0.147635 0.396139 H\n0.922910 0.147635 0.896139 H\n0.422910 0.852365 0.603861 H\n0.145119 0.688059 0.129205 H\n0.645119 0.311941 0.370795 H\n0.854881 0.311941 0.870795 H\n0.354881 0.688059 0.629205 H\n0.305185 0.499348 0.315409 H\n0.805185 0.500652 0.184591 H\n0.694815 0.500652 0.684591 H\n0.194815 0.499348 0.815409 H\n0.071331 0.500492 0.329904 H\n0.571331 0.499508 0.170096 H\n0.928669 0.499508 0.670096 H\n0.428669 0.500492 0.829904 H\n0.436505 0.633138 0.441341 H\n0.936505 0.366862 0.058659 H\n0.563495 0.366862 0.558659 H\n0.063495 0.633138 0.941341 H\n0.515002 0.570059 0.379284 H\n0.015002 0.429941 0.120716 H\n0.484998 0.429941 0.620716 H\n0.984998 0.570059 0.879284 H\n0.989841 0.281277 0.760053 H\n0.489841 0.718723 0.739947 H\n0.010159 0.718723 0.239947 H\n0.510159 0.281277 0.260053 H\n0.107824 0.125334 0.761675 H\n0.607824 0.874666 0.738325 H\n0.892176 0.874666 0.238325 H\n0.392176 0.125334 0.261675 H\n0.543926 0.126424 0.747441 H\n0.043926 0.873576 0.752559 H\n0.456074 0.873576 0.252559 H\n0.956074 0.126424 0.247441 H\n0.660454 0.281221 0.757772 H\n0.160454 0.718779 0.742228 H\n0.339546 0.718779 0.242228 H\n0.839546 0.281221 0.257772 H\n0.779467 0.842436 0.914597 C\n0.279467 0.157564 0.585403 C\n0.220533 0.157564 0.085403 C\n0.720533 0.842436 0.414597 C\n0.705025 0.930809 0.092273 C\n0.205025 0.069191 0.407727 C\n0.294975 0.069191 0.907727 C\n0.794975 0.930809 0.592273 C\n0.200558 0.742185 0.045951 C\n0.700558 0.257815 0.454049 C\n0.799442 0.257815 0.954049 C\n0.299442 0.742185 0.545951 C\n0.232236 0.554866 0.393842 C\n0.732236 0.445134 0.106158 C\n0.767764 0.445134 0.606158 C\n0.267764 0.554866 0.893842 C\n0.825897 0.109480 0.755962 C\n0.325897 0.890520 0.744038 C\n0.174103 0.890520 0.244038 C\n0.674103 0.109480 0.255962 C\n0.773733 0.521685 0.801563 Br\n0.273733 0.478315 0.698437 Br\n0.226267 0.478315 0.198437 Br\n0.726267 0.521685 0.301563 Br\n0.724591 0.745313 0.953741 N\n0.224591 0.254687 0.546259 N\n0.275409 0.254687 0.046259 N\n0.775409 0.745313 0.453741 N\n0.721275 0.829975 0.861066 N\n0.221275 0.170025 0.638934 N\n0.278725 0.170025 0.138934 N\n0.778725 0.829975 0.361066 N\n0.634484 0.836964 0.130392 N\n0.134484 0.163036 0.369608 N\n0.365516 0.163036 0.869608 N\n0.865516 0.836964 0.630392 N\n0.676598 0.063442 0.099981 N\n0.176598 0.936558 0.400019 N\n0.323402 0.936558 0.900019 N\n0.823402 0.063442 0.599981 N\n0.290623 0.624510 0.038860 N\n0.790623 0.375490 0.461140 N\n0.709377 0.375490 0.961140 N\n0.209377 0.624510 0.538860 N\n0.139739 0.762691 0.097810 N\n0.639739 0.237309 0.402190 N\n0.860261 0.237309 0.902190 N\n0.360261 0.762691 0.597810 N\n0.204023 0.493025 0.345028 N\n0.704023 0.506975 0.154972 N\n0.795977 0.506975 0.654972 N\n0.295977 0.493025 0.845028 N\n0.410217 0.581193 0.407301 N\n0.910217 0.418807 0.092699 N\n0.589783 0.418807 0.592699 N\n0.089783 0.581193 0.907301 N\n0.985597 0.178221 0.763501 N\n0.485597 0.821779 0.736499 N\n0.014403 0.821779 0.236499 N\n0.514403 0.178221 0.263501 N\n0.664396 0.179502 0.753149 N\n0.164396 0.820498 0.746851 N\n0.335604 0.820498 0.246851 N\n0.835604 0.179502 0.253149 N\n0.879126 0.941712 0.926754 O\n0.379126 0.058288 0.573246 O\n0.120874 0.058288 0.073246 O\n0.620874 0.941712 0.426754 O\n0.798004 0.893437 0.050954 O\n0.298004 0.106563 0.449046 O\n0.201996 0.106563 0.949046 O\n0.701996 0.893437 0.550954 O\n0.171638 0.827880 0.004725 O\n0.671638 0.172120 0.495275 O\n0.828362 0.172120 0.995275 O\n0.328362 0.827880 0.504725 O\n0.097571 0.578228 0.425198 O\n0.597571 0.421772 0.074802 O\n0.902429 0.421772 0.574802 O\n0.402429 0.578228 0.925198 O\n0.827729 0.980888 0.752615 O\n0.327729 0.019112 0.747385 O\n0.172271 0.019112 0.247385 O\n0.672271 0.980888 0.252615 O\n",
"nsites": 166,
"nelements": 6,
"elements": [
"Mg",
"H",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-H-Mg-N-O",
"density": 1.527288268907696,
"density_atomic": 0.09728937142011834,
"volume": 1706.2501029344,
"volume_molar": 6.1899266817081,
"formula_full": "Mg2 H80 C20 Br4 N40 O20",
"formula_reduced": "MgH40C10Br2(N2O)10",
"formula_anonymous": "AB2C10D10E20F40",
"energy": -1025.26757969,
"energy_per_atom": -6.176310721024096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -994.95157969,
"band_gap": 4.8406,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1381133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.528000Z",
"spacegroup": 14
},
{
"id": "mp-703426",
"created_at": "2022-09-04T14:47:40.502050Z",
"structure_string": "Mg2 H40 C8 Br4 N16 O12\n1.0\n11.848716 0.000000 0.000000\n0.000000 9.899664 0.000000\n0.000000 3.747420 10.120230\nMg H C Br N O\n2 40 8 4 16 12\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.709760 0.109943 0.065674 H\n0.209760 0.390057 0.934326 H\n0.290240 0.890057 0.934326 H\n0.790240 0.609943 0.065674 H\n0.785270 0.927616 0.576719 H\n0.285270 0.572384 0.423281 H\n0.214730 0.072384 0.423281 H\n0.714730 0.427616 0.576719 H\n0.683501 0.916982 0.924063 H\n0.183501 0.583018 0.075937 H\n0.316499 0.083018 0.075937 H\n0.816499 0.416982 0.924063 H\n0.567103 0.559615 0.077104 H\n0.067103 0.940385 0.922896 H\n0.432897 0.440385 0.922896 H\n0.932897 0.059615 0.077104 H\n0.414366 0.865474 0.000463 H\n0.914366 0.634526 0.999537 H\n0.585634 0.134526 0.999537 H\n0.085634 0.365474 0.000463 H\n0.393373 0.567429 0.979754 H\n0.893373 0.932571 0.020246 H\n0.606627 0.432571 0.020246 H\n0.106627 0.067429 0.979754 H\n0.873053 0.441480 0.452810 H\n0.373053 0.058520 0.547190 H\n0.126947 0.558520 0.547190 H\n0.626947 0.941480 0.452810 H\n0.596871 0.880433 0.503956 H\n0.096871 0.619567 0.496044 H\n0.403129 0.119567 0.496044 H\n0.903129 0.380433 0.503956 H\n0.759237 0.478583 0.733760 H\n0.259237 0.021417 0.266240 H\n0.240763 0.521417 0.266240 H\n0.740763 0.978583 0.733760 H\n0.646527 0.285089 0.640549 H\n0.146527 0.214911 0.359451 H\n0.353473 0.714911 0.359451 H\n0.853473 0.785089 0.640549 H\n0.611600 0.731508 0.290915 C\n0.111600 0.768492 0.709085 C\n0.388400 0.268492 0.709085 C\n0.888400 0.231508 0.290915 C\n0.473076 0.677211 0.709431 C\n0.973076 0.822789 0.290569 C\n0.526924 0.322789 0.290569 C\n0.026924 0.177211 0.709431 C\n0.212407 0.437427 0.160507 Br\n0.712407 0.062573 0.839493 Br\n0.787593 0.562573 0.839493 Br\n0.287593 0.937427 0.160507 Br\n0.590287 0.855057 0.193747 N\n0.090287 0.644943 0.806253 N\n0.409713 0.144943 0.806253 N\n0.909713 0.355057 0.193747 N\n0.647971 0.720742 0.177898 N\n0.147971 0.779258 0.822102 N\n0.352029 0.279258 0.822102 N\n0.852029 0.220742 0.177898 N\n0.461204 0.526752 0.946022 N\n0.961204 0.973248 0.053978 N\n0.538796 0.473248 0.053978 N\n0.038796 0.026752 0.946022 N\n0.168569 0.335348 0.021329 N\n0.668569 0.164652 0.978671 N\n0.831431 0.664652 0.978671 N\n0.331431 0.835348 0.021329 N\n0.600192 0.664730 0.413187 O\n0.100192 0.835270 0.586813 O\n0.399808 0.335270 0.586813 O\n0.899808 0.164730 0.413187 O\n0.483270 0.585885 0.665042 O\n0.983270 0.914115 0.334958 O\n0.516730 0.414115 0.334958 O\n0.016730 0.085885 0.665042 O\n0.644204 0.378796 0.569867 O\n0.144204 0.121204 0.430133 O\n0.355796 0.621204 0.430133 O\n0.855796 0.878796 0.569867 O\n",
"nsites": 82,
"nelements": 6,
"elements": [
"Mg",
"H",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-H-Mg-N-O",
"density": 1.2879496535168784,
"density_atomic": 0.06907672275975225,
"volume": 1187.085847792674,
"volume_molar": 8.718046426355388,
"formula_full": "Mg2 H40 C8 Br4 N16 O12",
"formula_reduced": "MgH20C4Br2(N4O3)2",
"formula_anonymous": "AB2C4D6E8F20",
"energy": -430.93995408,
"energy_per_atom": -5.255365293658537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -414.78395408,
"band_gap": 1.5996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.570000Z",
"spacegroup": 14
},
{
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},
{
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},
{
"id": "mp-1233092",
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{
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]
}