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{
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"results": [
{
"id": "mp-1041149",
"created_at": "2022-09-04T14:45:03.284251Z",
"structure_string": "Mg2 Sb6 P6 O26\n1.0\n6.988296 0.000000 0.000000\n0.000000 8.221791 0.000000\n0.000000 2.350515 10.822467\nMg Sb P O\n2 6 6 26\ndirect\n0.750000 0.428042 0.160966 Mg\n0.250000 0.571958 0.839034 Mg\n0.250000 0.651466 0.236640 Sb\n0.750000 0.348534 0.763360 Sb\n0.250000 0.233605 0.432915 Sb\n0.500000 0.000000 0.000000 Sb\n0.750000 0.766395 0.567085 Sb\n0.000000 0.000000 0.000000 Sb\n0.250000 0.803480 0.519937 P\n0.750000 0.196520 0.480063 P\n0.250000 0.271809 0.762462 P\n0.750000 0.728191 0.237538 P\n0.750000 0.682244 0.899878 P\n0.250000 0.317756 0.100122 P\n0.750000 0.664082 0.762325 O\n0.573171 0.230330 0.393962 O\n0.250000 0.215669 0.641402 O\n0.560291 0.772593 0.919203 O\n0.750000 0.311150 0.576311 O\n0.750000 0.127006 0.884127 O\n0.250000 0.688850 0.423689 O\n0.060291 0.227407 0.080797 O\n0.250000 0.985531 0.438340 O\n0.750000 0.014469 0.561660 O\n0.079161 0.387759 0.782216 O\n0.250000 0.872994 0.115873 O\n0.579161 0.612241 0.217784 O\n0.750000 0.502732 0.979932 O\n0.750000 0.784331 0.358598 O\n0.439709 0.227407 0.080797 O\n0.926829 0.230330 0.393962 O\n0.426829 0.769670 0.606038 O\n0.420839 0.387759 0.782216 O\n0.250000 0.335918 0.237675 O\n0.750000 0.890006 0.132005 O\n0.250000 0.109994 0.867995 O\n0.920839 0.612241 0.217784 O\n0.939709 0.772593 0.919203 O\n0.073171 0.769670 0.606038 O\n0.250000 0.497268 0.020068 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Sb",
"P",
"O"
],
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"density": 3.687888898055356,
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"volume": 621.8190098057246,
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"formula_full": "Mg2 Sb6 P6 O26",
"formula_reduced": "MgSb3P3O13",
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"energy": -280.88086544000004,
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"updated_at": "2021-11-28T01:36:46.684000Z",
"spacegroup": 11
},
{
"id": "mp-1043837",
"created_at": "2022-09-04T14:43:19.346209Z",
"structure_string": "Mg2 Ti2 Sb2 P6 O24\n1.0\n8.373064 -0.432001 -0.301270\n4.054788 7.338496 -0.301270\n4.054788 2.253356 6.990470\nMg Ti Sb P O\n2 2 2 6 24\ndirect\n0.995972 0.995972 0.995972 Mg\n0.495972 0.495972 0.495972 Mg\n0.150417 0.150417 0.150417 Ti\n0.650417 0.650417 0.650417 Ti\n0.336404 0.336404 0.336404 Sb\n0.836404 0.836404 0.836404 Sb\n0.066668 0.431613 0.754833 P\n0.431613 0.754833 0.066668 P\n0.754833 0.066668 0.431613 P\n0.254833 0.931613 0.566668 P\n0.566668 0.254833 0.931613 P\n0.931613 0.566668 0.254833 P\n0.066618 0.567595 0.328623 O\n0.328623 0.066618 0.567595 O\n0.070280 0.238736 0.906684 O\n0.567595 0.328623 0.066618 O\n0.067595 0.566618 0.828623 O\n0.246366 0.417114 0.584731 O\n0.238736 0.906684 0.070280 O\n0.417114 0.584731 0.246366 O\n0.202063 0.003550 0.381729 O\n0.584731 0.246366 0.417114 O\n0.084731 0.917114 0.746366 O\n0.381729 0.202063 0.003550 O\n0.566618 0.828623 0.067595 O\n0.906684 0.070280 0.238736 O\n0.406684 0.738736 0.570280 O\n0.828623 0.067595 0.566618 O\n0.570280 0.406684 0.738736 O\n0.746366 0.084731 0.917114 O\n0.738736 0.570280 0.406684 O\n0.003550 0.381729 0.202063 O\n0.503550 0.702063 0.881729 O\n0.917114 0.746366 0.084731 O\n0.702063 0.881729 0.503550 O\n0.881729 0.503550 0.702063 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
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"Ti",
"Sb",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sb-Ti",
"density": 3.5012640104597215,
"density_atomic": 0.07925968197045014,
"volume": 454.20318508749057,
"volume_molar": 7.597987539547781,
"formula_full": "Mg2 Ti2 Sb2 P6 O24",
"formula_reduced": "MgTiSb(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -277.05345307,
"energy_per_atom": -7.695929251944444,
"energy_above_hull": null,
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"band_gap": 1.213,
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"total_magnetization": 0.0011168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.195000Z",
"spacegroup": 161
},
{
"id": "mp-1233943",
"created_at": "2022-09-04T14:40:06.986279Z",
"structure_string": "Mg1 V4 Sb2 P6 O24\n1.0\n9.496932 0.519685 0.052043\n5.221191 8.286743 0.165322\n4.982444 3.091362 7.092167\nMg V Sb P O\n1 4 2 6 24\ndirect\n0.606722 0.563940 0.666959 Mg\n0.144322 0.153029 0.158225 V\n0.350444 0.326731 0.338056 V\n0.728372 0.768335 0.696570 V\n0.849944 0.849769 0.853428 V\n0.973252 0.941290 0.017119 Sb\n0.473136 0.471672 0.450858 Sb\n0.067477 0.761826 0.420626 P\n0.440721 0.066444 0.756715 P\n0.748301 0.456266 0.025341 P\n0.226730 0.525546 0.972062 P\n0.538015 0.958497 0.267712 P\n0.967752 0.226174 0.546268 P\n0.124636 0.265928 0.502233 O\n0.304724 0.492417 0.102885 O\n0.154285 0.899908 0.256317 O\n0.529014 0.111235 0.288106 O\n0.996201 0.754299 0.621909 O\n0.228472 0.565256 0.423734 O\n0.280588 0.143926 0.902542 O\n0.431037 0.240750 0.555758 O\n0.127612 0.404760 0.056766 O\n0.564246 0.434427 0.208829 O\n0.073494 0.726303 0.946584 O\n0.395533 0.023386 0.191850 O\n0.635911 0.010019 0.742729 O\n0.905983 0.281768 0.078476 O\n0.377805 0.525817 0.778795 O\n0.746155 0.634860 0.984324 O\n0.549773 0.785149 0.444661 O\n0.735193 0.919284 0.097929 O\n0.785612 0.387948 0.551589 O\n0.006250 0.147110 0.419101 O\n0.436717 0.914736 0.752906 O\n0.937166 0.066660 0.756068 O\n0.718660 0.495939 0.850736 O\n0.911171 0.777169 0.393807 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
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"V",
"Sb",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sb-V",
"density": 3.2434882483530902,
"density_atomic": 0.0693967907184174,
"volume": 533.1658656973092,
"volume_molar": 8.677837545017436,
"formula_full": "Mg1 V4 Sb2 P6 O24",
"formula_reduced": "MgV4Sb2(PO4)6",
"formula_anonymous": "AB2C4D6E24",
"energy": -289.91570779,
"energy_per_atom": -7.83555967,
"energy_above_hull": null,
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"energy_uncorrected": -266.62770779,
"band_gap": 0.8102999999999998,
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"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.523000Z",
"spacegroup": 1
},
{
"id": "mp-1234578",
"created_at": "2022-09-04T14:42:10.336204Z",
"structure_string": "Mg1 V4 Sb2 P6 O24\n1.0\n9.088937 0.167051 0.131839\n4.721383 7.770572 0.133153\n4.732178 2.721167 7.280212\nMg V Sb P O\n1 4 2 6 24\ndirect\n0.250107 0.249811 0.250057 Mg\n0.133651 0.134373 0.133817 V\n0.365627 0.366437 0.366062 V\n0.650126 0.648850 0.645723 V\n0.850488 0.850598 0.854331 V\n0.000961 0.997647 0.996949 Sb\n0.501549 0.499290 0.503619 Sb\n0.034166 0.750197 0.466287 P\n0.465335 0.034720 0.749955 P\n0.749810 0.466025 0.033503 P\n0.251044 0.548048 0.952767 P\n0.547412 0.952777 0.250304 P\n0.951771 0.248666 0.547141 P\n0.119260 0.288318 0.502631 O\n0.290635 0.502604 0.120166 O\n0.047668 0.902635 0.265164 O\n0.504656 0.122109 0.285313 O\n0.982477 0.833074 0.602061 O\n0.234080 0.596934 0.453324 O\n0.262749 0.048916 0.901916 O\n0.450709 0.237584 0.598238 O\n0.210450 0.381049 0.997732 O\n0.596991 0.452901 0.234018 O\n0.086004 0.736623 0.928529 O\n0.378110 0.995596 0.215039 O\n0.597623 0.983406 0.836552 O\n0.903382 0.266520 0.046303 O\n0.417926 0.570735 0.764609 O\n0.834210 0.601339 0.983640 O\n0.573060 0.765945 0.417689 O\n0.734399 0.926656 0.083291 O\n0.763435 0.413721 0.572168 O\n0.996708 0.210280 0.379224 O\n0.517304 0.902152 0.663641 O\n0.928996 0.081292 0.734907 O\n0.667431 0.517217 0.897239 O\n0.899691 0.664953 0.516089 O\n",
"nsites": 37,
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"elements": [
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"Sb",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sb-V",
"density": 3.444237983147472,
"density_atomic": 0.07369197734022102,
"volume": 502.0899334696699,
"volume_molar": 8.172043928468614,
"formula_full": "Mg1 V4 Sb2 P6 O24",
"formula_reduced": "MgV4Sb2(PO4)6",
"formula_anonymous": "AB2C4D6E24",
"energy": -290.29846139,
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"updated_at": "2021-11-28T01:35:41.057000Z",
"spacegroup": 155
},
{
"id": "mp-1233069",
"created_at": "2022-09-04T14:41:12.933539Z",
"structure_string": "Mg1 V4 Sb2 P6 O24\n1.0\n8.984645 -0.033921 0.071867\n4.498156 7.621190 0.031424\n4.573501 2.535208 7.304164\nMg V Sb P O\n1 4 2 6 24\ndirect\n0.358312 0.749917 0.141747 Mg\n0.142627 0.147542 0.149103 V\n0.350847 0.352464 0.357302 V\n0.656120 0.648764 0.642233 V\n0.857793 0.851407 0.843663 V\n0.973547 0.008664 0.991068 Sb\n0.509353 0.490784 0.526409 Sb\n0.042127 0.750022 0.457914 P\n0.468538 0.036332 0.744645 P\n0.755301 0.463782 0.031331 P\n0.252175 0.563713 0.959720 P\n0.540219 0.936078 0.247815 P\n0.953057 0.250012 0.547178 P\n0.097807 0.306504 0.523382 O\n0.305168 0.573934 0.091930 O\n0.072888 0.901526 0.260501 O\n0.479223 0.105014 0.291751 O\n0.007872 0.812495 0.605774 O\n0.239614 0.598440 0.427440 O\n0.293747 0.011598 0.925556 O\n0.422052 0.233640 0.603939 O\n0.208500 0.394696 0.020650 O\n0.574565 0.488511 0.206383 O\n0.087668 0.752212 0.922344 O\n0.408010 0.925971 0.194841 O\n0.621599 0.006731 0.795611 O\n0.895850 0.266259 0.077658 O\n0.415925 0.577166 0.763389 O\n0.833254 0.609134 0.981599 O\n0.577851 0.747470 0.412101 O\n0.736446 0.922744 0.083925 O\n0.755594 0.411372 0.579135 O\n0.976905 0.193527 0.402355 O\n0.518035 0.890617 0.667202 O\n0.920803 0.088825 0.744713 O\n0.703553 0.494143 0.878426 O\n0.894200 0.687993 0.492123 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
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"O"
],
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"density": 3.4665974658526206,
"density_atomic": 0.074170374739271,
"volume": 498.85146367488426,
"volume_molar": 8.119334412384271,
"formula_full": "Mg1 V4 Sb2 P6 O24",
"formula_reduced": "MgV4Sb2(PO4)6",
"formula_anonymous": "AB2C4D6E24",
"energy": -291.02299880000004,
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"updated_at": "2021-11-28T01:35:11.815000Z",
"spacegroup": 5
},
{
"id": "mp-1041181",
"created_at": "2022-09-04T14:41:24.560585Z",
"structure_string": "Mg2 Sn6 P6 O26\n1.0\n6.821338 0.000000 0.000000\n0.000000 7.866943 0.000000\n0.000000 1.384168 10.398245\nMg Sn P O\n2 6 6 26\ndirect\n0.750000 0.435539 0.225264 Mg\n0.250000 0.564461 0.774736 Mg\n0.250000 0.683948 0.256657 Sn\n0.750000 0.316052 0.743343 Sn\n0.250000 0.196999 0.392634 Sn\n0.500000 0.000000 0.000000 Sn\n0.750000 0.803001 0.607366 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.695465 0.523013 P\n0.750000 0.304535 0.476987 P\n0.250000 0.210185 0.730428 P\n0.750000 0.789815 0.269572 P\n0.750000 0.648991 0.927340 P\n0.250000 0.351009 0.072660 P\n0.750000 0.553775 0.802232 O\n0.574732 0.310648 0.382671 O\n0.250000 0.126676 0.607842 O\n0.562614 0.763727 0.912577 O\n0.750000 0.460452 0.557991 O\n0.750000 0.124424 0.893626 O\n0.250000 0.539548 0.442009 O\n0.062614 0.236273 0.087423 O\n0.250000 0.848703 0.410579 O\n0.750000 0.151297 0.589421 O\n0.071356 0.333402 0.741052 O\n0.250000 0.875576 0.106374 O\n0.571356 0.666598 0.258948 O\n0.750000 0.516440 0.045029 O\n0.750000 0.873324 0.392158 O\n0.437386 0.236273 0.087423 O\n0.925268 0.310648 0.382671 O\n0.425268 0.689352 0.617329 O\n0.428644 0.333402 0.741052 O\n0.250000 0.446225 0.197768 O\n0.750000 0.931824 0.147309 O\n0.250000 0.068176 0.852691 O\n0.928644 0.666598 0.258948 O\n0.937386 0.763727 0.912577 O\n0.074732 0.689352 0.617329 O\n0.250000 0.483560 0.954971 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Mg-O-P-Sn",
"density": 4.055204586502867,
"density_atomic": 0.07168435342779128,
"volume": 558.0018244886954,
"volume_molar": 8.400913828519348,
"formula_full": "Mg2 Sn6 P6 O26",
"formula_reduced": "MgSn3P3O13",
"formula_anonymous": "AB3C3D13",
"energy": -284.87489555,
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"updated_at": "2021-11-28T01:35:14.563000Z",
"spacegroup": 11
},
{
"id": "mp-1049302",
"created_at": "2022-09-04T14:41:27.155531Z",
"structure_string": "Mg4 Sn8 P8 O36\n1.0\n6.486994 0.000000 0.000000\n0.000000 8.078462 0.000000\n0.000000 0.000000 16.078846\nMg Sn P O\n4 8 8 36\ndirect\n0.250000 0.507419 0.807442 Mg\n0.250000 0.992581 0.307442 Mg\n0.750000 0.007419 0.692558 Mg\n0.750000 0.492581 0.192558 Mg\n0.250000 0.876901 0.884786 Sn\n0.750000 0.123099 0.115214 Sn\n0.750000 0.376901 0.615214 Sn\n0.250000 0.623099 0.384786 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.750000 0.892717 0.934480 P\n0.250000 0.107283 0.065520 P\n0.250000 0.392717 0.565520 P\n0.750000 0.607283 0.434480 P\n0.250000 0.898154 0.708006 P\n0.250000 0.601846 0.208006 P\n0.750000 0.398154 0.791994 P\n0.750000 0.101846 0.291994 P\n0.548611 0.078174 0.343284 O\n0.048611 0.921826 0.656716 O\n0.451389 0.578174 0.156716 O\n0.951389 0.421826 0.843284 O\n0.451389 0.921826 0.656716 O\n0.951389 0.078174 0.343284 O\n0.548611 0.421826 0.843284 O\n0.048611 0.578174 0.156716 O\n0.750000 0.771265 0.483549 O\n0.250000 0.228735 0.516451 O\n0.250000 0.271265 0.016451 O\n0.750000 0.728735 0.983549 O\n0.250000 0.637727 0.916352 O\n0.750000 0.362273 0.083648 O\n0.750000 0.137727 0.583648 O\n0.250000 0.862273 0.416352 O\n0.250000 0.728213 0.754115 O\n0.750000 0.271787 0.245885 O\n0.750000 0.228213 0.745885 O\n0.250000 0.771787 0.254115 O\n0.935667 0.593560 0.373816 O\n0.435667 0.406440 0.626184 O\n0.064333 0.093560 0.126184 O\n0.564333 0.906440 0.873816 O\n0.064333 0.406440 0.626184 O\n0.564333 0.593560 0.373816 O\n0.935667 0.906440 0.873816 O\n0.435667 0.093560 0.126184 O\n0.250000 0.957238 0.005353 O\n0.750000 0.528408 0.718284 O\n0.750000 0.971592 0.218284 O\n0.250000 0.028408 0.781716 O\n0.250000 0.542762 0.505353 O\n0.750000 0.457238 0.494647 O\n0.750000 0.042762 0.994647 O\n0.250000 0.471592 0.281716 O\n",
"nsites": 56,
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"elements": [
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"P",
"O"
],
"chemical_system": "Mg-O-P-Sn",
"density": 3.686539329223316,
"density_atomic": 0.06646009667282772,
"volume": 842.6108718390664,
"volume_molar": 9.061287993073533,
"formula_full": "Mg4 Sn8 P8 O36",
"formula_reduced": "MgSn2P2O9",
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