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"results": [
{
"id": "mp-1185592",
"created_at": "2022-09-04T14:44:08.198473Z",
"structure_string": "Mg149 Fe1\n1.0\n13.803202 -7.969287 -0.000000\n0.000000 15.938573 -0.000000\n0.000000 0.000000 15.675762\nMg Fe\n149 1\ndirect\n0.397382 0.000204 -0.000000 Mg\n0.602823 0.000204 0.000000 Mg\n0.811073 0.001601 0.000000 Mg\n0.190528 0.001601 0.000000 Mg\n0.998399 0.188926 0.000000 Mg\n0.190528 0.188927 0.000000 Mg\n0.801175 0.198825 0.000000 Mg\n0.397650 0.198825 0.000000 Mg\n0.599710 0.199421 0.000000 Mg\n0.999797 0.397178 0.000000 Mg\n0.397382 0.397178 0.000000 Mg\n0.198605 0.397212 -0.000000 Mg\n0.599710 0.400290 0.000000 Mg\n0.800579 0.400290 0.000000 Mg\n0.199680 0.599840 0.000000 Mg\n0.400160 0.599840 0.000000 Mg\n0.801175 0.602350 0.000000 Mg\n0.999797 0.602619 0.000000 Mg\n0.602823 0.602619 0.000000 Mg\n0.400160 0.800320 0.000000 Mg\n0.198605 0.801394 0.000000 Mg\n0.602788 0.801394 0.000000 Mg\n0.811073 0.809472 0.000000 Mg\n0.998399 0.809472 -0.000000 Mg\n0.063336 0.126671 0.157094 Mg\n0.873329 0.936664 0.157094 Mg\n0.063336 0.936664 0.157094 Mg\n0.264899 0.331290 0.165590 Mg\n0.066391 0.331291 0.165590 Mg\n0.066391 0.735101 0.165590 Mg\n0.668710 0.735102 0.165590 Mg\n0.264899 0.933609 0.165590 Mg\n0.668710 0.933609 0.165590 Mg\n0.066567 0.533283 0.166315 Mg\n0.466716 0.533284 0.166315 Mg\n0.466716 0.933433 0.166315 Mg\n0.666538 0.133526 0.166639 Mg\n0.466988 0.133526 0.166639 Mg\n0.866474 0.333461 0.166639 Mg\n0.466988 0.333462 0.166639 Mg\n0.666538 0.533012 0.166639 Mg\n0.866474 0.533013 0.166639 Mg\n0.666667 0.333334 0.166552 Mg\n0.266531 0.533063 0.166550 Mg\n0.466936 0.733468 0.166550 Mg\n0.266531 0.733469 0.166550 Mg\n0.865875 0.134125 0.166923 Mg\n0.268250 0.134125 0.166923 Mg\n0.865875 0.731750 0.166923 Mg\n0.800832 0.999569 0.331161 Mg\n0.198736 0.999569 0.331161 Mg\n0.198736 0.199167 0.331161 Mg\n0.000431 0.199168 0.331161 Mg\n0.800832 0.801264 0.331161 Mg\n0.000431 0.801264 0.331161 Mg\n0.000000 0.000000 0.331869 Mg\n0.600491 -0.000043 0.332954 Mg\n0.399467 -0.000043 0.332954 Mg\n0.399467 0.399509 0.332954 Mg\n0.000043 0.399509 0.332954 Mg\n0.000043 0.600533 0.332954 Mg\n0.600491 0.600533 0.332954 Mg\n0.599814 0.199627 0.333275 Mg\n0.800373 0.400186 0.333275 Mg\n0.599814 0.400187 0.333275 Mg\n0.200081 0.400161 0.333309 Mg\n0.599839 0.799919 0.333309 Mg\n0.200081 0.799920 0.333309 Mg\n0.399753 0.199876 0.333403 Mg\n0.800125 0.199876 0.333403 Mg\n0.800125 0.600247 0.333403 Mg\n0.199936 0.599967 0.333513 Mg\n0.400032 0.599968 0.333513 Mg\n0.400032 0.800064 0.333513 Mg\n0.866780 0.133219 0.500000 Mg\n0.266441 0.133220 0.500000 Mg\n0.066699 0.133397 0.500000 Mg\n0.467045 0.133674 0.500000 Mg\n0.666629 0.133674 0.500000 Mg\n0.266629 0.332953 0.500000 Mg\n0.066324 0.332953 0.500000 Mg\n0.866327 0.333371 0.500000 Mg\n0.467045 0.333372 0.500000 Mg\n0.666667 0.333334 0.500000 Mg\n0.666629 0.532956 0.500000 Mg\n0.866327 0.532956 0.500000 Mg\n0.066016 0.533008 0.500000 Mg\n0.466991 0.533009 0.500000 Mg\n0.266529 0.533058 0.500000 Mg\n0.667047 0.733371 0.500000 Mg\n0.066324 0.733371 0.500000 Mg\n0.466942 0.733471 0.500000 Mg\n0.266529 0.733471 0.500000 Mg\n0.866780 0.733560 0.500000 Mg\n0.866603 0.933300 0.500000 Mg\n0.066699 0.933301 0.500000 Mg\n0.466991 0.933984 0.500000 Mg\n0.667047 0.933676 0.500000 Mg\n0.266629 0.933676 0.500000 Mg\n0.199936 0.599967 0.666487 Mg\n0.400032 0.599968 0.666487 Mg\n0.400032 0.800064 0.666487 Mg\n0.399753 0.199876 0.666597 Mg\n0.800125 0.199876 0.666597 Mg\n0.800125 0.600247 0.666597 Mg\n0.200081 0.400161 0.666692 Mg\n0.599839 0.799919 0.666692 Mg\n0.200081 0.799920 0.666692 Mg\n0.599814 0.199627 0.666726 Mg\n0.800373 0.400186 0.666726 Mg\n0.599814 0.400187 0.666726 Mg\n0.600491 -0.000043 0.667046 Mg\n0.399467 -0.000043 0.667046 Mg\n0.399467 0.399509 0.667046 Mg\n0.000043 0.399509 0.667046 Mg\n0.000043 0.600533 0.667046 Mg\n0.600491 0.600533 0.667046 Mg\n0.000000 0.000000 0.668131 Mg\n0.800832 0.999569 0.668839 Mg\n0.198736 0.999569 0.668839 Mg\n0.198736 0.199167 0.668839 Mg\n0.000431 0.199168 0.668839 Mg\n0.800832 0.801264 0.668839 Mg\n0.000431 0.801264 0.668839 Mg\n0.865875 0.134125 0.833077 Mg\n0.268250 0.134125 0.833077 Mg\n0.865875 0.731750 0.833077 Mg\n0.266531 0.533063 0.833449 Mg\n0.466936 0.733468 0.833449 Mg\n0.266531 0.733469 0.833449 Mg\n0.666667 0.333334 0.833448 Mg\n0.666538 0.133526 0.833361 Mg\n0.466988 0.133526 0.833361 Mg\n0.866474 0.333461 0.833361 Mg\n0.466988 0.333462 0.833361 Mg\n0.666538 0.533012 0.833361 Mg\n0.866474 0.533013 0.833361 Mg\n0.066567 0.533283 0.833685 Mg\n0.466716 0.533284 0.833685 Mg\n0.466716 0.933433 0.833685 Mg\n0.264899 0.331290 0.834410 Mg\n0.066391 0.331291 0.834410 Mg\n0.066391 0.735101 0.834410 Mg\n0.668710 0.735102 0.834410 Mg\n0.264899 0.933609 0.834410 Mg\n0.668710 0.933609 0.834410 Mg\n0.063336 0.126671 0.842907 Mg\n0.873329 0.936664 0.842907 Mg\n0.063336 0.936664 0.842907 Mg\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg",
"density": 1.7705942013882257,
"density_atomic": 0.04349439742290317,
"volume": 3448.7200395380896,
"volume_molar": 13.845785013287427,
"formula_full": "Mg149 Fe1",
"formula_reduced": "Mg149Fe",
"formula_anonymous": "AB149",
"energy": -249.07205679,
"energy_per_atom": -1.6604803786,
"energy_above_hull": null,
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"energy_uncorrected": -249.07205679,
"band_gap": 0.0552999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0760802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.062000Z",
"spacegroup": 187
},
{
"id": "mp-1209590",
"created_at": "2022-09-04T14:44:09.733227Z",
"structure_string": "Rb2 Mn1 Sb2\n1.0\n3.657702 0.000000 0.000000\n0.000000 3.657702 0.000000\n0.000000 0.000000 16.505253\nRb Mn Sb\n2 1 2\ndirect\n0.500000 0.500000 0.636945 Rb\n0.500000 0.500000 0.363055 Rb\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.156066 Sb\n0.500000 0.500000 0.843934 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Sb"
],
"chemical_system": "Mn-Rb-Sb",
"density": 3.5297786963225466,
"density_atomic": 0.022642854664393225,
"volume": 220.820213445202,
"volume_molar": 26.596208160405023,
"formula_full": "Rb2 Mn1 Sb2",
"formula_reduced": "Rb2MnSb2",
"formula_anonymous": "AB2C2",
"energy": -17.072065000000002,
"energy_per_atom": -3.4144130000000006,
"energy_above_hull": null,
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"energy_uncorrected": -16.688065,
"band_gap": 0.0,
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"total_magnetization": 4.4671094,
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"updated_at": "2021-11-28T01:36:30.231000Z",
"spacegroup": 123
},
{
"id": "mp-1097658",
"created_at": "2022-09-04T14:44:09.740267Z",
"structure_string": "Ba1 Na2 Sr1\n1.0\n-7.484931 7.808815 10.604926\n7.484931 -7.808815 10.604926\n7.484931 7.808815 -10.604926\nBa Na Sr\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.246913 0.000000 0.246913 Na\n0.753087 0.000000 0.753087 Na\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sr"
],
"chemical_system": "Ba-Na-Sr",
"density": 0.18145129703615767,
"density_atomic": 0.0016133159313544878,
"volume": 2479.3655862814976,
"volume_molar": 373.2772139021776,
"formula_full": "Ba1 Na2 Sr1",
"formula_reduced": "BaNa2Sr",
"formula_anonymous": "ABC2",
"energy": -2.11794879,
"energy_per_atom": -0.5294871975,
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"energy_uncorrected": -2.11794879,
"band_gap": 0.2492000000000003,
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"total_magnetization": 0.0019104,
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"updated_at": "2021-11-28T01:36:26.066000Z",
"spacegroup": 71
},
{
"id": "mp-759675",
"created_at": "2022-09-04T14:44:10.283662Z",
"structure_string": "Na2 Co4 P6 O20\n1.0\n8.638218 0.000000 0.000000\n0.000000 4.730188 0.000000\n0.000000 1.215021 9.034787\nNa Co P O\n2 4 6 20\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.929245 0.954554 0.341300 Co\n0.570755 0.954554 0.341300 Co\n0.429245 0.045446 0.658700 Co\n0.070755 0.045446 0.658700 Co\n0.750000 0.665910 0.817079 P\n0.250000 0.610051 0.460330 P\n0.250000 0.473117 0.849023 P\n0.750000 0.526883 0.150977 P\n0.750000 0.389949 0.539670 P\n0.250000 0.334090 0.182921 P\n0.899069 0.833511 0.800766 O\n0.600931 0.833511 0.800766 O\n0.250000 0.780362 0.765910 O\n0.399186 0.776336 0.484800 O\n0.100814 0.776336 0.484800 O\n0.750000 0.690947 0.452975 O\n0.898055 0.689494 0.173797 O\n0.601945 0.689494 0.173797 O\n0.750000 0.463051 0.975788 O\n0.250000 0.580050 0.286149 O\n0.750000 0.419950 0.713851 O\n0.250000 0.536949 0.024212 O\n0.398055 0.310506 0.826203 O\n0.101945 0.310506 0.826203 O\n0.250000 0.309053 0.547025 O\n0.899186 0.223664 0.515200 O\n0.600814 0.223664 0.515200 O\n0.750000 0.219638 0.234090 O\n0.399069 0.166489 0.199234 O\n0.100931 0.166489 0.199234 O\n",
"nsites": 32,
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"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-Na-O-P",
"density": 3.542442686594044,
"density_atomic": 0.08668211473832914,
"volume": 369.1649666900688,
"volume_molar": 6.947385603338456,
"formula_full": "Na2 Co4 P6 O20",
"formula_reduced": "NaCo2P3O10",
"formula_anonymous": "AB2C3D10",
"energy": -238.20528077,
"energy_per_atom": -7.4439150240625,
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"band_gap": 2.3543,
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"is_magnetic": true,
"total_magnetization": 12.0008915,
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"updated_at": "2021-11-28T01:36:28.738000Z",
"spacegroup": 11
},
{
"id": "mp-1185259",
"created_at": "2022-09-04T14:44:10.296163Z",
"structure_string": "K6 Eu2\n1.0\n4.584781 -7.941074 0.000000\n4.584781 7.941074 0.000000\n0.000000 0.000000 7.446487\nK Eu\n6 2\ndirect\n0.168389 0.336778 0.250000 K\n0.663222 0.831611 0.250000 K\n0.168389 0.831611 0.250000 K\n0.831611 0.663222 0.750000 K\n0.336778 0.168389 0.750000 K\n0.831611 0.168389 0.750000 K\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Eu"
],
"chemical_system": "Eu-K",
"density": 1.6491869527685574,
"density_atomic": 0.014754031859388693,
"volume": 542.224666195852,
"volume_molar": 40.81691579219293,
"formula_full": "K6 Eu2",
"formula_reduced": "K3Eu",
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"energy": -25.7138313,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:34.351000Z",
"spacegroup": 194
},
{
"id": "mp-1181196",
"created_at": "2022-09-04T14:44:08.354530Z",
"structure_string": "Mn4 Zn8 Si4 H8 O24\n1.0\n5.370731 0.000000 0.000000\n0.000000 8.321029 0.000000\n0.000000 1.147973 11.827222\nMn Zn Si H O\n4 8 4 8 24\ndirect\n0.254678 0.606640 0.456193 Mn\n0.754678 0.893360 0.543807 Mn\n0.745322 0.393360 0.543807 Mn\n0.245322 0.106640 0.456193 Mn\n0.433687 0.773222 0.920650 Zn\n0.933687 0.726778 0.079350 Zn\n0.566313 0.226778 0.079350 Zn\n0.066313 0.273222 0.920650 Zn\n0.435710 0.111414 0.750899 Zn\n0.935710 0.388586 0.249101 Zn\n0.564290 0.888586 0.249101 Zn\n0.064290 0.611414 0.750899 Zn\n0.431543 0.567762 0.171199 Si\n0.931543 0.932238 0.828801 Si\n0.568457 0.432238 0.828801 Si\n0.068457 0.067762 0.171199 Si\n0.278709 0.910699 0.640930 H\n0.778709 0.589301 0.359070 H\n0.721291 0.089301 0.359070 H\n0.221291 0.410699 0.640930 H\n0.458845 0.359702 0.366643 H\n0.958845 0.140298 0.633357 H\n0.541155 0.640298 0.633357 H\n0.041155 0.859702 0.366643 H\n0.425500 0.608738 0.807269 O\n0.925500 0.891262 0.192731 O\n0.574500 0.391262 0.192731 O\n0.074500 0.108738 0.807269 O\n0.462078 0.663333 0.286170 O\n0.962078 0.836667 0.713830 O\n0.537922 0.336667 0.713830 O\n0.037922 0.163333 0.286170 O\n0.430121 0.319027 0.933316 O\n0.930121 0.180973 0.066684 O\n0.569879 0.680973 0.066684 O\n0.069879 0.819027 0.933316 O\n0.362935 0.038227 0.138514 O\n0.862935 0.461773 0.861486 O\n0.637065 0.961773 0.861486 O\n0.137065 0.538227 0.138514 O\n0.410378 0.988802 0.617818 O\n0.910378 0.511198 0.382182 O\n0.589622 0.011198 0.382182 O\n0.089622 0.488802 0.617818 O\n0.403946 0.350629 0.445419 O\n0.903946 0.149371 0.554581 O\n0.596054 0.649371 0.554581 O\n0.096054 0.850629 0.445419 O\n",
"nsites": 48,
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"elements": [
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"Zn",
"Si",
"H",
"O"
],
"chemical_system": "H-Mn-O-Si-Zn",
"density": 3.918925242734817,
"density_atomic": 0.09081300618129792,
"volume": 528.5586505546729,
"volume_molar": 6.631363736574777,
"formula_full": "Mn4 Zn8 Si4 H8 O24",
"formula_reduced": "MnZn2Si(HO3)2",
"formula_anonymous": "ABC2D2E6",
"energy": -314.26020713,
"energy_per_atom": -6.547087648541667,
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"updated_at": "2021-11-28T01:36:28.384000Z",
"spacegroup": 14
},
{
"id": "mp-1176315",
"created_at": "2022-09-04T14:44:08.355861Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n11.564896 0.000000 0.000000\n0.000000 5.155513 0.000000\n0.000000 1.859749 4.811819\nLi Mn Co O\n9 2 5 16\ndirect\n0.872279 0.000000 0.500000 Li\n0.749109 0.500000 0.500000 Li\n0.617781 0.000000 0.500000 Li\n0.503963 0.500000 0.500000 Li\n0.378273 0.000000 0.500000 Li\n0.254634 0.500000 0.500000 Li\n0.129758 0.000000 0.500000 Li\n0.993723 0.500000 0.500000 Li\n0.498791 0.000000 0.000000 Li\n0.997181 0.000000 0.000000 Mn\n0.127217 0.500000 0.000000 Mn\n0.874735 0.500000 0.000000 Co\n0.743397 0.000000 0.000000 Co\n0.624713 0.500000 0.000000 Co\n0.379535 0.500000 0.000000 Co\n0.253879 0.000000 0.000000 Co\n0.877451 0.772020 0.232718 O\n0.750450 0.270079 0.217535 O\n0.629707 0.733815 0.214590 O\n0.508243 0.279168 0.234904 O\n0.366618 0.751531 0.214482 O\n0.241453 0.266518 0.241418 O\n0.125783 0.752262 0.207942 O\n0.000811 0.281559 0.232784 O\n0.877451 0.227980 0.767282 O\n0.750450 0.729921 0.782465 O\n0.629707 0.266185 0.785410 O\n0.508243 0.720832 0.765096 O\n0.366618 0.248469 0.785518 O\n0.241453 0.733482 0.758582 O\n0.125783 0.247738 0.792058 O\n0.000811 0.718441 0.767216 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.184710070777519,
"density_atomic": 0.11153908505995375,
"volume": 286.8949479260976,
"volume_molar": 5.399130499199468,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.35589765,
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"updated_at": "2021-11-28T01:36:37.089000Z",
"spacegroup": 3
},
{
"id": "mp-1186485",
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