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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11557",
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"results": [
{
"id": "mp-1176486",
"created_at": "2022-09-04T14:41:50.970797Z",
"structure_string": "Mn2 V3 Sn1 P6 O24\n1.0\n7.557153 -4.340329 0.000000\n7.557153 4.340329 0.000000\n5.064356 0.000000 7.092343\nMn V Sn P O\n2 3 1 6 24\ndirect\n0.003298 0.003298 0.003298 Mn\n0.499324 0.499324 0.499324 Mn\n0.355346 0.355346 0.355346 V\n0.144500 0.144500 0.144500 V\n0.643341 0.643341 0.643341 V\n0.855123 0.855123 0.855123 Sn\n0.453312 0.747973 0.044102 P\n0.747973 0.044102 0.453312 P\n0.044102 0.453312 0.747973 P\n0.958396 0.539500 0.252840 P\n0.252840 0.958396 0.539500 P\n0.539500 0.252840 0.958396 P\n0.693527 0.882474 0.495569 O\n0.882474 0.495569 0.693527 O\n0.495569 0.693527 0.882474 O\n0.262335 0.913476 0.061176 O\n0.609539 0.804980 0.016602 O\n0.436175 0.584148 0.236884 O\n0.913476 0.061176 0.262335 O\n0.584148 0.236884 0.436175 O\n0.994512 0.384380 0.192331 O\n0.236884 0.436175 0.584148 O\n0.943574 0.735923 0.087733 O\n0.192331 0.994512 0.384380 O\n0.804980 0.016602 0.609539 O\n0.061176 0.262335 0.913476 O\n0.763601 0.560394 0.414113 O\n0.016602 0.609539 0.804980 O\n0.414113 0.763601 0.560394 O\n0.087733 0.943574 0.735923 O\n0.560394 0.414113 0.763601 O\n0.384380 0.192331 0.994512 O\n0.735923 0.087733 0.943574 O\n0.503242 0.309853 0.116401 O\n0.116401 0.503242 0.309853 O\n0.309853 0.116401 0.503242 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Mn",
"V",
"Sn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sn-V",
"density": 3.3949864442125444,
"density_atomic": 0.07737522213025501,
"volume": 465.2652232700137,
"volume_molar": 7.78303518129125,
"formula_full": "Mn2 V3 Sn1 P6 O24",
"formula_reduced": "Mn2V3Sn(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -293.69139106,
"energy_per_atom": -8.158094196111112,
"energy_above_hull": null,
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"energy_uncorrected": -268.76739106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0000817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.741000Z",
"spacegroup": 146
},
{
"id": "mp-861181",
"created_at": "2022-09-04T14:44:17.823231Z",
"structure_string": "Mn3 V1 Sn2 P6 O24\n1.0\n7.726235 -4.367240 0.000000\n7.726235 4.367240 0.000000\n5.257661 0.000000 7.150140\nMn V Sn P O\n3 1 2 6 24\ndirect\n0.651912 0.651912 0.651912 Mn\n0.851411 0.851411 0.851411 Mn\n0.349498 0.349498 0.349498 Mn\n0.145461 0.145461 0.145461 V\n0.994996 0.994996 0.994996 Sn\n0.499066 0.499066 0.499066 Sn\n0.537080 0.951111 0.248150 P\n0.248150 0.537080 0.951111 P\n0.951111 0.248150 0.537080 P\n0.052749 0.753630 0.458339 P\n0.753630 0.458339 0.052749 P\n0.458339 0.052749 0.753630 P\n0.314189 0.513617 0.090618 O\n0.090618 0.314189 0.513617 O\n0.513617 0.090618 0.314189 O\n0.729877 0.927023 0.084137 O\n0.378881 0.009801 0.182218 O\n0.542306 0.753152 0.407492 O\n0.084137 0.729877 0.927023 O\n0.407492 0.542306 0.753152 O\n0.009301 0.808083 0.617925 O\n0.753152 0.407492 0.542306 O\n0.082761 0.919022 0.267105 O\n0.808083 0.617925 0.009301 O\n0.182218 0.378881 0.009801 O\n0.927023 0.084137 0.729877 O\n0.252176 0.593570 0.440785 O\n0.009801 0.182218 0.378881 O\n0.593570 0.440785 0.252176 O\n0.919022 0.267105 0.082761 O\n0.440785 0.252176 0.593570 O\n0.617925 0.009301 0.808083 O\n0.267105 0.082761 0.919022 O\n0.476502 0.908172 0.697897 O\n0.908172 0.697897 0.476502 O\n0.697897 0.476502 0.908172 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
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"V",
"Sn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sn-V",
"density": 3.5205201452852566,
"density_atomic": 0.07460758582918975,
"volume": 482.5246601923316,
"volume_molar": 8.071753955137194,
"formula_full": "Mn3 V1 Sn2 P6 O24",
"formula_reduced": "Mn3VSn2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -283.42385151,
"energy_per_atom": -7.872884764166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.23185151,
"band_gap": 0.0057999999999998,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.516000Z",
"spacegroup": 146
},
{
"id": "mp-782657",
"created_at": "2022-09-04T14:45:08.345345Z",
"structure_string": "Mn3 V1 Te2 P6 O24\n1.0\n7.687976 -4.428678 0.000000\n7.687976 4.428678 0.000000\n5.136824 0.000000 7.234031\nMn V Te P O\n3 1 2 6 24\ndirect\n0.160522 0.160522 0.160522 Mn\n0.348901 0.348901 0.348901 Mn\n0.654539 0.654539 0.654539 Mn\n0.854133 0.854133 0.854133 V\n0.017541 0.017541 0.017541 Te\n0.509912 0.509912 0.509912 Te\n0.043567 0.458669 0.748456 P\n0.458669 0.748456 0.043567 P\n0.748456 0.043567 0.458669 P\n0.242988 0.943022 0.553546 P\n0.553546 0.242988 0.943022 P\n0.943022 0.553546 0.242988 P\n0.090418 0.528930 0.300279 O\n0.300279 0.090418 0.528930 O\n0.062812 0.255464 0.916801 O\n0.528930 0.300279 0.090418 O\n0.240570 0.440169 0.604419 O\n0.986510 0.607931 0.826810 O\n0.255464 0.916801 0.062812 O\n0.440169 0.604419 0.240570 O\n0.604419 0.240570 0.440169 O\n0.194643 0.968845 0.399907 O\n0.082040 0.914589 0.745726 O\n0.399907 0.194643 0.968845 O\n0.607931 0.826810 0.986510 O\n0.916801 0.062812 0.255464 O\n0.826810 0.986510 0.607931 O\n0.405268 0.743122 0.579816 O\n0.579816 0.405268 0.743122 O\n0.745726 0.082040 0.914589 O\n0.968845 0.399907 0.194643 O\n0.743122 0.579816 0.405268 O\n0.479156 0.684588 0.905390 O\n0.914589 0.745726 0.082040 O\n0.684588 0.905390 0.479156 O\n0.905390 0.479156 0.684588 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Mn",
"V",
"Te",
"P",
"O"
],
"chemical_system": "Mn-O-P-Te-V",
"density": 3.508432611972341,
"density_atomic": 0.07308125822605555,
"volume": 492.60235625178353,
"volume_molar": 8.240335355710851,
"formula_full": "Mn3 V1 Te2 P6 O24",
"formula_reduced": "Mn3VTe2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -278.18285293,
"energy_per_atom": -7.727301470277778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.99085293,
"band_gap": 0.4851000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.127000Z",
"spacegroup": 146
},
{
"id": "mp-1210812",
"created_at": "2022-09-04T14:41:03.819531Z",
"structure_string": "Mn8 Zn6 H20 C4 O32\n1.0\n2.829886 7.691104 0.000000\n-2.829886 7.691104 0.000000\n0.000000 1.763840 16.601553\nMn Zn H C O\n8 6 20 4 32\ndirect\n0.470849 0.963167 0.910143 Mn\n0.529151 0.036833 0.089857 Mn\n0.036833 0.529151 0.589857 Mn\n0.963167 0.470849 0.410143 Mn\n0.564548 0.041786 0.684513 Mn\n0.435452 0.958214 0.315487 Mn\n0.958214 0.435452 0.815487 Mn\n0.041786 0.564548 0.184513 Mn\n0.383604 0.890210 0.538504 Zn\n0.616396 0.109790 0.461496 Zn\n0.109790 0.616396 0.961496 Zn\n0.890210 0.383604 0.038504 Zn\n0.778174 0.221826 0.750000 Zn\n0.221826 0.778174 0.250000 Zn\n0.208926 0.974626 0.784420 H\n0.791074 0.025374 0.215580 H\n0.025374 0.791074 0.715580 H\n0.974626 0.208926 0.284420 H\n0.204429 0.116076 0.665772 H\n0.795571 0.883924 0.334228 H\n0.883924 0.795571 0.834228 H\n0.116076 0.204429 0.165772 H\n0.902751 0.937716 0.569467 H\n0.097249 0.062284 0.430533 H\n0.062284 0.097249 0.930533 H\n0.937716 0.902751 0.069467 H\n0.535829 0.216081 0.942314 H\n0.464171 0.783919 0.057686 H\n0.783919 0.464171 0.557686 H\n0.216081 0.535829 0.442314 H\n0.378653 0.294393 0.813852 H\n0.621347 0.705607 0.186148 H\n0.705607 0.621347 0.686148 H\n0.294393 0.378653 0.313852 H\n0.395352 0.558594 0.626894 C\n0.604648 0.441406 0.373106 C\n0.441406 0.604648 0.873106 C\n0.558594 0.395352 0.126894 C\n0.285418 0.121995 0.618058 O\n0.714582 0.878005 0.381942 O\n0.878005 0.714582 0.881942 O\n0.121995 0.285418 0.118058 O\n0.783834 0.937625 0.565882 O\n0.216166 0.062375 0.434118 O\n0.062375 0.216166 0.934118 O\n0.937625 0.783834 0.065882 O\n0.536903 0.400959 0.845628 O\n0.463097 0.599041 0.154372 O\n0.599041 0.463097 0.654372 O\n0.400959 0.536903 0.345628 O\n0.261256 0.752725 0.577330 O\n0.738744 0.247275 0.422670 O\n0.247275 0.738744 0.922670 O\n0.752725 0.261256 0.077330 O\n0.356778 0.198819 0.800116 O\n0.643223 0.801181 0.199884 O\n0.801181 0.643223 0.699884 O\n0.198819 0.356777 0.300116 O\n0.535426 0.677534 0.850011 O\n0.464574 0.322466 0.149989 O\n0.322466 0.464574 0.649989 O\n0.677534 0.535426 0.350011 O\n0.588691 0.760814 0.027192 O\n0.411309 0.239186 0.972808 O\n0.239186 0.411309 0.472808 O\n0.760814 0.588691 0.527192 O\n0.865790 0.926492 0.745067 O\n0.134210 0.073508 0.254933 O\n0.073508 0.134210 0.754933 O\n0.926492 0.865790 0.245067 O\n",
"nsites": 70,
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"elements": [
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"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mn-O-Zn",
"density": 3.2448210421391592,
"density_atomic": 0.09686384482285848,
"volume": 722.6638600606219,
"volume_molar": 6.217119267785725,
"formula_full": "Mn8 Zn6 H20 C4 O32",
"formula_reduced": "Mn4Zn3H10(CO8)2",
"formula_anonymous": "A2B3C4D10E16",
"energy": -459.869722,
"energy_per_atom": -6.569567457142857,
"energy_above_hull": null,
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"energy_uncorrected": -424.541722,
"band_gap": 2.1956,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:35:13.623000Z",
"spacegroup": 15
},
{
"id": "mp-510620",
"created_at": "2022-09-04T14:43:58.962540Z",
"structure_string": "Mn2 Zn1 H12 N4 O8\n1.0\n0.000000 5.272551 5.272551\n5.272551 0.000000 5.272551\n5.272551 5.272551 0.000000\nMn Zn H N O\n2 1 12 4 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Zn\n0.014755 0.792725 0.792725 H\n0.399794 0.792725 0.014755 H\n0.792725 0.399794 0.792725 H\n0.792725 0.792725 0.399794 H\n0.399794 0.014755 0.792725 H\n0.792725 0.014755 0.399794 H\n0.792725 0.399794 0.014755 H\n0.792725 0.014755 0.792725 H\n0.792725 0.792725 0.014755 H\n0.014755 0.399794 0.792725 H\n0.014755 0.792725 0.399794 H\n0.399794 0.792725 0.792725 H\n0.887235 0.887235 0.887235 N\n0.338294 0.887235 0.887235 N\n0.887235 0.338294 0.887235 N\n0.887235 0.887235 0.338294 N\n0.588815 0.588815 0.588815 O\n0.233555 0.588815 0.588815 O\n0.588815 0.233555 0.588815 O\n0.588815 0.588815 0.233555 O\n0.161407 0.161407 0.161407 O\n0.515778 0.161407 0.161407 O\n0.161407 0.515778 0.161407 O\n0.161407 0.161407 0.515778 O\n",
"nsites": 27,
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"elements": [
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"H",
"N",
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],
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"density": 2.1037852447958745,
"density_atomic": 0.09210249619259332,
"volume": 293.1516638109454,
"volume_molar": 6.538520679621153,
"formula_full": "Mn2 Zn1 H12 N4 O8",
"formula_reduced": "Mn2ZnH12(NO2)4",
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"energy": -154.92032027000002,
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"total_magnetization": 5.59e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.787000Z",
"spacegroup": 216
},
{
"id": "mp-1333743",
"created_at": "2022-09-04T14:42:12.878908Z",
"structure_string": "Mn4 Zn4 Ni4 P8 O36\n1.0\n6.184472 0.000000 0.000000\n0.000000 7.253327 0.000000\n0.000000 0.000000 14.303477\nMn Zn Ni P O\n4 4 4 8 36\ndirect\n0.750000 0.352370 0.381254 Mn\n0.250000 0.647630 0.618746 Mn\n0.250000 0.852370 0.118746 Mn\n0.750000 0.147630 0.881254 Mn\n0.750000 0.880397 0.283807 Zn\n0.750000 0.619603 0.783807 Zn\n0.250000 0.119603 0.716193 Zn\n0.250000 0.380397 0.216193 Zn\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.250000 0.360547 0.433479 P\n0.750000 0.639453 0.566521 P\n0.750000 0.860547 0.066521 P\n0.250000 0.139453 0.933479 P\n0.750000 0.394256 0.200053 P\n0.250000 0.605744 0.799947 P\n0.250000 0.894256 0.299947 P\n0.750000 0.105744 0.700053 P\n0.037848 0.608569 0.858206 O\n0.537848 0.391431 0.141794 O\n0.962152 0.108569 0.641794 O\n0.462152 0.891431 0.358206 O\n0.962152 0.391431 0.141794 O\n0.462152 0.608569 0.858206 O\n0.037848 0.891431 0.358206 O\n0.537848 0.108569 0.641794 O\n0.250000 0.328902 0.980074 O\n0.750000 0.671098 0.019926 O\n0.750000 0.828902 0.519926 O\n0.250000 0.171098 0.480074 O\n0.750000 0.144266 0.447459 O\n0.250000 0.855734 0.552541 O\n0.250000 0.644266 0.052541 O\n0.750000 0.355734 0.947459 O\n0.750000 0.217064 0.265286 O\n0.250000 0.782936 0.734714 O\n0.250000 0.717064 0.234714 O\n0.750000 0.282936 0.765286 O\n0.440870 0.122307 0.862741 O\n0.940870 0.877693 0.137259 O\n0.559130 0.622307 0.637259 O\n0.059130 0.377693 0.362741 O\n0.559130 0.877693 0.137259 O\n0.059130 0.122307 0.862741 O\n0.440870 0.377693 0.362741 O\n0.940870 0.622307 0.637259 O\n0.750000 0.943952 0.773096 O\n0.250000 0.056048 0.226904 O\n0.250000 0.443952 0.726904 O\n0.750000 0.556048 0.273096 O\n0.750000 0.011470 0.994056 O\n0.250000 0.988530 0.005944 O\n0.250000 0.511470 0.505944 O\n0.750000 0.488530 0.494056 O\n",
"nsites": 56,
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"elements": [
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"Zn",
"Ni",
"P",
"O"
],
"chemical_system": "Mn-Ni-O-P-Zn",
"density": 3.985370009632796,
"density_atomic": 0.08727834859915286,
"volume": 641.6253389164555,
"volume_molar": 6.89992518953143,
"formula_full": "Mn4 Zn4 Ni4 P8 O36",
"formula_reduced": "MnZnNiP2O9",
"formula_anonymous": "ABCD2E9",
"energy": -406.83469042,
"energy_per_atom": -7.264905186071429,
"energy_above_hull": null,
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"energy_uncorrected": -365.26669042,
"band_gap": 0.5607000000000002,
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"updated_at": "2021-11-28T01:35:36.332000Z",
"spacegroup": 62
},
{
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"id": "mp-745154",
"created_at": "2022-09-04T14:46:29.992725Z",
"structure_string": "Mn4 Zn8 Si4 H8 O24\n1.0\n5.317662 0.000000 0.000000\n0.000000 8.891546 0.000000\n0.000000 1.881637 11.514337\nMn Zn Si H O\n4 8 4 8 24\ndirect\n0.859486 0.010267 0.610667 Mn\n0.359486 0.489733 0.389333 Mn\n0.140514 0.989733 0.389333 Mn\n0.640514 0.510267 0.610667 Mn\n0.610639 0.588787 0.106084 Zn\n0.110639 0.911213 0.893916 Zn\n0.389361 0.411213 0.893916 Zn\n0.889361 0.088787 0.106084 Zn\n0.644596 0.805059 0.330404 Zn\n0.144596 0.694941 0.669596 Zn\n0.355404 0.194941 0.669596 Zn\n0.855404 0.305059 0.330404 Zn\n0.661645 0.692840 0.844986 Si\n0.161645 0.807160 0.155014 Si\n0.338355 0.307160 0.155014 Si\n0.838355 0.192840 0.844986 Si\n0.871539 0.554690 0.384728 H\n0.371539 0.945310 0.615272 H\n0.128461 0.445310 0.615272 H\n0.628461 0.054690 0.384728 H\n0.409054 0.091527 0.075601 H\n0.909054 0.408473 0.924399 H\n0.590946 0.908473 0.924399 H\n0.090946 0.591527 0.075601 H\n0.520292 0.377180 0.248020 O\n0.020292 0.122820 0.751980 O\n0.479708 0.622820 0.751980 O\n0.979708 0.877180 0.248020 O\n0.495742 0.996095 0.664144 O\n0.995742 0.503905 0.335856 O\n0.504258 0.003905 0.335856 O\n0.004258 0.496095 0.664144 O\n0.511313 0.182453 0.092558 O\n0.011313 0.317547 0.907442 O\n0.488687 0.817547 0.907442 O\n0.988687 0.682453 0.092558 O\n0.573560 0.277244 0.800302 O\n0.073560 0.222756 0.199698 O\n0.426440 0.722756 0.199698 O\n0.926440 0.777244 0.800302 O\n0.638250 0.625301 0.441149 O\n0.138250 0.874699 0.558851 O\n0.361750 0.374699 0.558851 O\n0.861750 0.125301 0.441149 O\n0.712890 0.541127 0.945756 O\n0.212890 0.958873 0.054244 O\n0.287110 0.458873 0.054244 O\n0.787110 0.041127 0.945756 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Mn",
"Zn",
"Si",
"H",
"O"
],
"chemical_system": "H-Mn-O-Si-Zn",
"density": 3.804724533681781,
"density_atomic": 0.08816664039099144,
"volume": 544.4236027043225,
"volume_molar": 6.830407434482805,
"formula_full": "Mn4 Zn8 Si4 H8 O24",
"formula_reduced": "MnZn2Si(HO3)2",
"formula_anonymous": "ABC2D2E6",
"energy": -308.32322488,
"energy_per_atom": -6.423400518333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -285.16322488,
"band_gap": 0.7808999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.601000Z",
"spacegroup": 14
},
{
"id": "mp-850230",
"created_at": "2022-09-04T14:42:19.497246Z",
"structure_string": "Mn9 Zn6 Si4 Sb2 O28\n1.0\n5.604344 0.000000 0.000000\n1.759391 9.154488 0.000000\n2.791478 0.130645 11.496510\nMn Zn Si Sb O\n9 6 4 2 28\ndirect\n0.636696 0.650934 0.291867 Mn\n0.000000 0.000000 0.000000 Mn\n0.922057 0.641630 0.716586 Mn\n0.279530 0.001702 0.425132 Mn\n0.426375 0.005492 0.143961 Mn\n0.573625 0.994508 0.856039 Mn\n0.720470 0.998298 0.574868 Mn\n0.077943 0.358370 0.283414 Mn\n0.363304 0.349066 0.708133 Mn\n0.658811 0.339740 0.137869 Zn\n0.052296 0.673820 0.427425 Zn\n0.203084 0.664613 0.138391 Zn\n0.796916 0.335387 0.861609 Zn\n0.947704 0.326180 0.572575 Zn\n0.341189 0.660260 0.862131 Zn\n0.757468 0.692066 0.003351 Si\n0.521298 0.312938 0.423532 Si\n0.478702 0.687062 0.576468 Si\n0.242532 0.307934 0.996649 Si\n0.138619 0.998561 0.719816 Sb\n0.861381 0.001439 0.280184 Sb\n0.586334 0.887523 0.291019 O\n0.407107 0.870643 0.588930 O\n0.690932 0.872471 0.004584 O\n0.669307 0.389093 0.303411 O\n0.390853 0.650801 0.460215 O\n0.731535 0.117942 0.152331 O\n0.581714 0.626086 0.121375 O\n0.939954 0.354926 0.000604 O\n0.219689 0.358965 0.436014 O\n0.883497 0.875666 0.714147 O\n0.981664 0.407788 0.714865 O\n0.118378 0.885878 0.153928 O\n0.311341 0.367220 0.112465 O\n0.969058 0.894059 0.417452 O\n0.030942 0.105941 0.582548 O\n0.688659 0.632780 0.887535 O\n0.881622 0.114122 0.846072 O\n0.018336 0.592212 0.285135 O\n0.116503 0.124334 0.285853 O\n0.780311 0.641035 0.563986 O\n0.060046 0.645074 0.999396 O\n0.418286 0.373914 0.878625 O\n0.268465 0.882058 0.847669 O\n0.609147 0.349199 0.539785 O\n0.330693 0.610907 0.696589 O\n0.309068 0.127529 0.995416 O\n0.592893 0.129357 0.411070 O\n0.413666 0.112477 0.708981 O\n",
"nsites": 49,
"nelements": 5,
"elements": [
"Mn",
"Zn",
"Si",
"Sb",
"O"
],
"chemical_system": "Mn-O-Sb-Si-Zn",
"density": 4.759939921138212,
"density_atomic": 0.0830751652901472,
"volume": 589.8272947018914,
"volume_molar": 7.249026515887332,
"formula_full": "Mn9 Zn6 Si4 Sb2 O28",
"formula_reduced": "Mn9Zn6Si4(SbO14)2",
"formula_anonymous": "A2B4C6D9E28",
"energy": -370.81414307,
"energy_per_atom": -7.567635572857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.56614307,
"band_gap": 1.0069,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 44.9984554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.039000Z",
"spacegroup": 2
}
]
}