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{
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"results": [
{
"id": "mp-1180497",
"created_at": "2022-09-04T14:44:10.669276Z",
"structure_string": "Mg1 U2 Si2 O17\n1.0\n3.517310 8.701936 0.000000\n-3.517310 8.701936 0.000000\n0.000000 1.500075 6.561233\nMg U Si O\n1 2 2 17\ndirect\n0.000000 0.000000 0.500000 Mg\n0.260748 0.260748 0.851301 U\n0.739252 0.739252 0.148699 U\n0.208626 0.208626 0.347470 Si\n0.791374 0.791374 0.652530 Si\n0.154214 0.154214 0.921944 O\n0.845786 0.845786 0.078056 O\n0.366975 0.366975 0.821315 O\n0.633025 0.633025 0.178685 O\n0.115015 0.115015 0.437027 O\n0.884985 0.884985 0.562973 O\n0.253474 0.253474 0.536985 O\n0.746526 0.746526 0.463015 O\n0.059490 0.418198 0.190711 O\n0.418198 0.059490 0.190711 O\n0.940510 0.581802 0.809289 O\n0.581802 0.940510 0.809289 O\n0.865024 0.150167 0.208292 O\n0.150167 0.865024 0.208292 O\n0.134976 0.849833 0.791708 O\n0.849833 0.134976 0.791708 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Mg1 U2 Si2 O17",
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"energy": -164.45705256,
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"spacegroup": 12
},
{
"id": "mp-1211186",
"created_at": "2022-09-04T14:47:28.225854Z",
"structure_string": "Mg1 U2 Si2 O18\n1.0\n0.311224 0.000000 -6.937774\n0.000000 -7.148518 0.000000\n-7.423769 3.574259 2.870180\nMg U Si O\n1 2 2 18\ndirect\n0.000000 0.000000 0.000000 Mg\n0.640467 0.753453 0.506905 U\n0.359533 0.246547 0.493095 U\n0.835416 0.263826 0.527652 Si\n0.164584 0.736174 0.472348 Si\n0.973765 0.596624 0.193249 O\n0.026235 0.403376 0.806751 O\n0.739449 0.880365 0.760730 O\n0.260551 0.119635 0.239270 O\n0.690279 0.435837 0.517701 O\n0.309721 0.564163 0.482299 O\n0.309721 0.918136 0.482299 O\n0.690279 0.081864 0.517701 O\n0.971063 0.764418 0.528837 O\n0.028937 0.235582 0.471163 O\n0.205604 0.934089 0.868178 O\n0.794396 0.065911 0.131822 O\n0.542271 0.630813 0.261626 O\n0.457729 0.369187 0.738374 O\n0.904082 0.711782 0.102909 O\n0.095918 0.288218 0.897091 O\n0.095918 0.608873 0.897091 O\n0.904082 0.391127 0.102909 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Si-U",
"density": 3.8761293402524886,
"density_atomic": 0.06357194614751434,
"volume": 361.79480720363784,
"volume_molar": 9.472953283553778,
"formula_full": "Mg1 U2 Si2 O18",
"formula_reduced": "MgU2(SiO9)2",
"formula_anonymous": "AB2C2D18",
"energy": -159.42507905,
"energy_per_atom": -6.931525176086956,
"energy_above_hull": null,
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"energy_uncorrected": -159.42507905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0820976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.157000Z",
"spacegroup": 12
},
{
"id": "mp-1190722",
"created_at": "2022-09-04T14:42:47.786500Z",
"structure_string": "Mg1 U2 Si2 O16\n1.0\n3.551095 8.530735 0.000000\n-3.551095 8.530735 0.000000\n0.000000 1.908398 6.518370\nMg U Si O\n1 2 2 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.741848 0.741848 0.147696 U\n0.258152 0.258152 0.852304 U\n0.783744 0.783744 0.648816 Si\n0.216256 0.216256 0.351184 Si\n0.735592 0.735592 0.472749 O\n0.264408 0.264408 0.527251 O\n0.881686 0.881686 0.536413 O\n0.118314 0.118314 0.463587 O\n0.582245 0.937762 0.810091 O\n0.062238 0.417755 0.189909 O\n0.417755 0.062238 0.189909 O\n0.937762 0.582245 0.810091 O\n0.852432 0.852432 0.081314 O\n0.147568 0.147568 0.918686 O\n0.632659 0.632659 0.179848 O\n0.367341 0.367341 0.820152 O\n0.773851 0.181091 0.726331 O\n0.818909 0.226149 0.273669 O\n0.226149 0.818909 0.273669 O\n0.181091 0.773851 0.726331 O\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "Mg-O-Si-U",
"density": 3.41639176761985,
"density_atomic": 0.05317427147998855,
"volume": 394.9278366305983,
"volume_molar": 11.32529058205594,
"formula_full": "Mg1 U2 Si2 O16",
"formula_reduced": "MgU2(SiO8)2",
"formula_anonymous": "AB2C2D16",
"energy": -158.07614529999998,
"energy_per_atom": -7.527435490476189,
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"energy_uncorrected": -147.0841453,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.643000Z",
"spacegroup": 12
},
{
"id": "mp-1264059",
"created_at": "2022-09-04T14:41:35.814144Z",
"structure_string": "Mg4 V4 Si4 O20\n1.0\n3.201936 -0.025459 -4.357347\n2.734056 -6.421256 -0.161098\n-6.436527 -6.562508 -4.183583\nMg V Si O\n4 4 4 20\ndirect\n0.545104 0.871496 0.324384 Mg\n0.045357 0.371600 0.824354 Mg\n0.494082 0.023745 0.680337 Mg\n0.994826 0.522613 0.180201 Mg\n0.988395 0.993679 0.494552 V\n0.511553 0.978078 0.006571 V\n0.488409 0.493643 0.994603 V\n0.011361 0.478333 0.506471 V\n0.475109 0.604675 0.652335 Si\n0.975121 0.104576 0.152322 Si\n0.517254 0.395868 0.346409 Si\n0.017329 0.895952 0.846368 Si\n0.270972 0.462018 0.657068 O\n0.770601 0.962346 0.157090 O\n0.629553 0.167825 0.486110 O\n0.129616 0.668004 0.986063 O\n0.371764 0.829891 0.508315 O\n0.872303 0.329951 0.008388 O\n0.713262 0.545404 0.347594 O\n0.213341 0.045477 0.847592 O\n0.468653 0.352229 0.199999 O\n0.968800 0.852209 0.700020 O\n0.271814 0.966520 0.152350 O\n0.771876 0.466932 0.652272 O\n0.720404 0.029409 0.851172 O\n0.220307 0.529311 0.351136 O\n0.497001 0.681520 0.788034 O\n0.997259 0.181325 0.288044 O\n0.123663 0.194755 0.551068 O\n0.623778 0.694726 0.051090 O\n0.890071 0.797685 0.448774 O\n0.390188 0.297646 0.949033 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"V",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-V",
"density": 3.5753077881764934,
"density_atomic": 0.0939557048504656,
"volume": 340.58602456263117,
"volume_molar": 6.4095530650155705,
"formula_full": "Mg4 V4 Si4 O20",
"formula_reduced": "MgVSiO5",
"formula_anonymous": "ABCD5",
"energy": -256.34025184,
"energy_per_atom": -8.01063287,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -235.80025184,
"band_gap": 1.3076999999999996,
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"is_magnetic": true,
"total_magnetization": 5.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.987000Z",
"spacegroup": 1
},
{
"id": "mp-1046694",
"created_at": "2022-09-04T14:46:20.019510Z",
"structure_string": "Mg2 V2 Si2 O10\n1.0\n4.181979 3.243013 0.000000\n-4.181979 3.243013 0.000000\n0.000000 2.833284 6.386499\nMg V Si O\n2 2 2 10\ndirect\n0.826496 0.167503 0.765690 Mg\n0.167503 0.826496 0.265690 Mg\n0.500719 0.499539 0.508296 V\n0.499539 0.500719 0.008296 V\n0.174821 0.826211 0.755607 Si\n0.826211 0.174821 0.255607 Si\n0.402834 0.831051 0.877369 O\n0.164884 0.592815 0.636114 O\n0.592815 0.164884 0.136114 O\n0.831051 0.402834 0.377369 O\n0.771129 0.872892 0.420936 O\n0.133766 0.221446 0.097867 O\n0.221446 0.133766 0.597867 O\n0.872892 0.771129 0.920936 O\n0.418639 0.585016 0.255883 O\n0.585016 0.418639 0.755883 O\n",
"nsites": 16,
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"elements": [
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"V",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-V",
"density": 3.5146888303886046,
"density_atomic": 0.09236269601215058,
"volume": 173.23011010738745,
"volume_molar": 6.520100668356162,
"formula_full": "Mg2 V2 Si2 O10",
"formula_reduced": "MgVSiO5",
"formula_anonymous": "ABCD5",
"energy": -127.7862493,
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"band_gap": 1.1046999999999998,
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"updated_at": "2021-11-28T01:37:23.798000Z",
"spacegroup": 9
},
{
"id": "mp-1034449",
"created_at": "2022-09-04T14:45:55.105667Z",
"structure_string": "Mg14 V1 Si1 O16\n1.0\n8.598500 0.000000 0.000000\n0.000000 8.598500 0.000000\n0.000000 0.000000 4.299175\nMg V Si O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.250662 0.500000 Mg\n0.000000 0.749338 0.500000 Mg\n0.500000 0.246871 0.500000 Mg\n0.500000 0.753129 0.500000 Mg\n0.250662 0.000000 0.500000 Mg\n0.246871 0.500000 0.500000 Mg\n0.749338 0.000000 0.500000 Mg\n0.753129 0.500000 0.500000 Mg\n0.249090 0.249090 0.000000 Mg\n0.249090 0.750910 0.000000 Mg\n0.750910 0.249090 0.000000 Mg\n0.750910 0.750910 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Si\n0.253898 0.000000 0.000000 O\n0.239208 0.500000 0.000000 O\n0.746102 0.000000 0.000000 O\n0.760792 0.500000 0.000000 O\n0.250363 0.250363 0.500000 O\n0.250363 0.749637 0.500000 O\n0.749637 0.250363 0.500000 O\n0.749637 0.749637 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.253898 0.000000 O\n0.000000 0.746102 0.000000 O\n0.500000 0.239208 0.000000 O\n0.500000 0.760792 0.000000 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 3.5278265880500443,
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"volume": 317.8560739581437,
"volume_molar": 5.98179380874035,
"formula_full": "Mg14 V1 Si1 O16",
"formula_reduced": "Mg14VSiO16",
"formula_anonymous": "ABC14D16",
"energy": -206.44459316,
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"updated_at": "2021-11-28T01:37:14.916000Z",
"spacegroup": 123
},
{
"id": "mp-1132757",
"created_at": "2022-09-04T14:39:25.998526Z",
"structure_string": "Mg4 V4 Si8 O24\n1.0\n0.206663 -0.096777 6.783396\n10.566615 0.260630 2.493675\n1.470249 6.608088 0.557474\nMg V Si O\n4 4 8 24\ndirect\n0.755289 0.374398 0.242975 Mg\n0.755237 0.874342 0.243051 Mg\n0.244711 0.125601 0.757012 Mg\n0.244764 0.625654 0.756959 Mg\n0.903644 0.623659 0.094919 V\n0.096341 0.876352 0.905099 V\n0.903304 0.123670 0.095078 V\n0.096701 0.376327 0.904910 V\n0.386057 0.109921 0.212816 Si\n0.386125 0.609963 0.212773 Si\n0.787374 0.140051 0.611834 Si\n0.787502 0.640030 0.611869 Si\n0.212626 0.359950 0.388153 Si\n0.212499 0.859968 0.388142 Si\n0.613939 0.390078 0.787178 Si\n0.613881 0.890038 0.787232 Si\n0.364371 0.222894 0.342522 O\n0.364319 0.722913 0.342554 O\n0.658576 0.026755 0.636244 O\n0.658635 0.526775 0.636200 O\n0.635633 0.277109 0.657465 O\n0.635685 0.777089 0.657450 O\n0.341422 0.473247 0.363755 O\n0.341356 0.973229 0.363807 O\n0.619626 0.064664 0.138603 O\n0.619724 0.564702 0.138650 O\n0.859183 0.184292 0.378043 O\n0.859339 0.684244 0.378080 O\n0.380371 0.435330 0.861402 O\n0.380282 0.935300 0.861355 O\n0.140813 0.315708 0.621944 O\n0.140668 0.815753 0.621932 O\n0.031365 0.416579 0.217024 O\n0.031243 0.916673 0.216995 O\n0.786825 0.331954 0.966859 O\n0.786758 0.831899 0.966929 O\n0.213173 0.168043 0.033134 O\n0.213248 0.668102 0.033076 O\n0.968635 0.083420 0.782965 O\n0.968755 0.583324 0.783017 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Mg-O-Si-V",
"density": 3.2283495174273247,
"density_atomic": 0.08548982812019854,
"volume": 467.8919221098454,
"volume_molar": 7.044277538531113,
"formula_full": "Mg4 V4 Si8 O24",
"formula_reduced": "MgV(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -325.21114531,
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"energy_above_hull": null,
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"energy_uncorrected": -301.92314531,
"band_gap": 2.074,
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"is_magnetic": true,
"total_magnetization": 1.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.384000Z",
"spacegroup": 15
},
{
"id": "mp-1250278",
"created_at": "2022-09-04T14:39:28.610687Z",
"structure_string": "Mg8 V8 Si12 O48\n1.0\n-5.860146 5.860146 5.951182\n5.860146 -5.860146 5.951182\n5.860146 5.860146 -5.951182\nMg V Si O\n8 8 12 48\ndirect\n0.245578 0.875000 0.870578 Mg\n0.125000 0.495578 0.870578 Mg\n0.625000 0.254422 0.129422 Mg\n0.004422 0.375000 0.129422 Mg\n0.504422 0.375000 0.629422 Mg\n0.625000 0.754422 0.629422 Mg\n0.125000 0.995578 0.370578 Mg\n0.745578 0.875000 0.370578 Mg\n0.375000 0.125000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.375000 0.625000 0.250000 V\n0.875000 0.125000 0.750000 V\n0.875000 0.625000 0.250000 V\n0.375000 0.625000 0.750000 V\n0.375000 0.125000 0.750000 V\n0.875000 0.125000 0.250000 V\n0.749187 0.375000 0.874187 Si\n0.625000 0.499187 0.374187 Si\n0.000000 0.000000 0.000000 Si\n0.125000 0.250813 0.625813 Si\n0.500000 0.500000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.249187 0.375000 0.374187 Si\n0.750000 0.250000 0.500000 Si\n0.500813 0.875000 0.125813 Si\n0.125000 0.750813 0.125813 Si\n0.625000 0.999187 0.874187 Si\n0.000813 0.875000 0.625813 Si\n0.752847 0.514340 0.826800 O\n0.676047 0.002847 0.738507 O\n0.264340 0.937540 0.261493 O\n0.567492 0.221699 0.454219 O\n0.682508 0.636727 0.154207 O\n0.857508 0.918703 0.624933 O\n0.956230 0.831297 0.438805 O\n0.863273 0.817492 0.845793 O\n0.668703 0.543770 0.561195 O\n0.278301 0.932508 0.545781 O\n0.581297 0.642492 0.375067 O\n0.971699 0.017481 0.154207 O\n0.267425 0.206230 0.624933 O\n0.982575 0.107508 0.438805 O\n0.386727 0.732519 0.454219 O\n0.687540 0.926047 0.173200 O\n0.985660 0.747153 0.173200 O\n0.497153 0.823953 0.261493 O\n0.767481 0.113273 0.545781 O\n0.562460 0.235660 0.738507 O\n0.392492 0.517425 0.561195 O\n0.573953 0.812460 0.826800 O\n0.482519 0.528301 0.845793 O\n0.293770 0.232575 0.375067 O\n0.997153 0.735660 0.673200 O\n0.073953 0.247153 0.761493 O\n0.485660 0.312460 0.238507 O\n0.182508 0.028301 0.045781 O\n0.067492 0.613273 0.345793 O\n0.892492 0.331297 0.875067 O\n0.793770 0.418703 0.061195 O\n0.886727 0.432508 0.654207 O\n0.081297 0.706230 0.938805 O\n0.471699 0.317492 0.954219 O\n0.168703 0.607508 0.124933 O\n0.778301 0.232519 0.345793 O\n0.482575 0.043770 0.875067 O\n0.767425 0.142492 0.061195 O\n0.363273 0.517481 0.045781 O\n0.062460 0.323953 0.326800 O\n0.764340 0.502847 0.326800 O\n0.252847 0.426047 0.238507 O\n0.982519 0.136727 0.954219 O\n0.187540 0.014340 0.761493 O\n0.357508 0.732575 0.938805 O\n0.176047 0.437540 0.673200 O\n0.267481 0.721699 0.654207 O\n0.456230 0.017425 0.124933 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Si-V",
"density": 3.467326082616223,
"density_atomic": 0.09296800176908972,
"volume": 817.485570882397,
"volume_molar": 6.477648917266779,
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