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"results": [
{
"id": "mp-1326531",
"created_at": "2022-09-04T14:41:58.429196Z",
"structure_string": "Li5 V3 Fe2 O10\n1.0\n5.105577 0.000000 0.000000\n-0.974596 5.150881 0.000000\n-1.689800 -2.834861 7.220747\nLi V Fe O\n5 3 2 10\ndirect\n0.791473 0.511536 0.414195 Li\n0.614112 0.506348 0.775590 Li\n0.000000 0.000000 0.500000 Li\n0.385888 0.493652 0.224410 Li\n0.208527 0.488464 0.585805 Li\n0.805533 0.003387 0.894402 V\n0.194467 0.996613 0.105598 V\n0.000000 0.500000 0.000000 V\n0.419753 0.000432 0.672771 Fe\n0.580247 0.999568 0.327229 Fe\n0.190546 0.243832 0.865772 O\n0.384889 0.771970 0.955483 O\n0.596423 0.749920 0.549890 O\n0.004235 0.243831 0.228859 O\n0.793323 0.220149 0.674717 O\n0.206677 0.779851 0.325283 O\n0.995765 0.756169 0.771141 O\n0.403577 0.250080 0.450110 O\n0.615111 0.228030 0.044517 O\n0.809454 0.756168 0.134228 O\n",
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"formula_full": "Li5 V3 Fe2 O10",
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"spacegroup": 2
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{
"id": "mp-20230",
"created_at": "2022-09-04T14:42:00.481495Z",
"structure_string": "Pu2 O2 F2\n1.0\n3.966866 0.000000 0.000000\n0.000000 3.966866 0.000000\n0.000000 0.000000 5.734420\nPu O F\n2 2 2\ndirect\n0.500000 0.000000 0.710589 Pu\n0.000000 0.500000 0.289411 Pu\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
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"density": 10.268223613017769,
"density_atomic": 0.06649158588154598,
"volume": 90.23698142331773,
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"formula_full": "Pu2 O2 F2",
"formula_reduced": "PuOF",
"formula_anonymous": "ABC",
"energy": -64.75963229,
"energy_per_atom": -10.793272048333334,
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"is_magnetic": true,
"total_magnetization": 9.9991825,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.971000Z",
"spacegroup": 129
},
{
"id": "mp-19060",
"created_at": "2022-09-04T14:41:56.681600Z",
"structure_string": "Sr2 Mn3 As2 O2\n1.0\n4.148840 0.000000 -0.892710\n-0.192085 4.144391 -0.892710\n0.008685 0.009097 10.127515\nSr Mn As O\n2 3 2 2\ndirect\n0.584582 0.584582 0.169163 Sr\n0.415418 0.415419 0.830837 Sr\n0.000000 0.000000 0.000000 Mn\n0.750000 0.249999 0.500000 Mn\n0.249999 0.749999 0.500000 Mn\n0.165040 0.165041 0.330081 As\n0.834960 0.834960 0.669919 As\n0.000001 0.500000 0.000000 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 9,
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"elements": [
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"As",
"O"
],
"chemical_system": "As-Mn-O-Sr",
"density": 4.974791117402809,
"density_atomic": 0.0516635424668464,
"volume": 174.20408222636866,
"volume_molar": 11.65646115704229,
"formula_full": "Sr2 Mn3 As2 O2",
"formula_reduced": "Sr2Mn3(AsO)2",
"formula_anonymous": "A2B2C2D3",
"energy": -62.86472358,
"energy_per_atom": -6.984969286666667,
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"updated_at": "2021-11-28T01:35:34.392000Z",
"spacegroup": 139
},
{
"id": "mp-1018703",
"created_at": "2022-09-04T14:41:58.452691Z",
"structure_string": "Eu2 Zn2 Ge2\n1.0\n2.218586 -3.842704 0.000000\n2.218586 3.842704 0.000000\n0.000000 0.000000 8.485548\nEu Zn Ge\n2 2 2\ndirect\n0.000000 0.000000 0.750865 Eu\n0.000000 0.000000 0.249135 Eu\n0.666667 0.333333 0.000000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 6,
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"elements": [
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"Zn",
"Ge"
],
"chemical_system": "Eu-Ge-Zn",
"density": 6.656921999559609,
"density_atomic": 0.04146943894605673,
"volume": 144.68486076710067,
"volume_molar": 14.521876623008032,
"formula_full": "Eu2 Zn2 Ge2",
"formula_reduced": "EuZnGe",
"formula_anonymous": "ABC",
"energy": -34.613685,
"energy_per_atom": -5.7689474999999995,
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"updated_at": "2021-11-28T01:35:31.569000Z",
"spacegroup": 191
},
{
"id": "mp-777588",
"created_at": "2022-09-04T14:41:57.244506Z",
"structure_string": "Li4 Fe2 F8\n1.0\n2.877384 -4.347107 0.000000\n2.877384 4.347107 0.000000\n0.000000 0.000000 6.569637\nLi Fe F\n4 2 8\ndirect\n0.845279 0.154721 0.250000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.154721 0.845279 0.750000 Li\n0.830012 0.169988 0.750000 Fe\n0.169988 0.830012 0.250000 Fe\n0.248891 0.238277 0.750000 F\n0.238277 0.248891 0.250000 F\n0.729145 0.270855 0.013269 F\n0.729145 0.270855 0.486731 F\n0.270855 0.729145 0.986731 F\n0.270855 0.729145 0.513269 F\n0.761723 0.751109 0.750000 F\n0.751109 0.761723 0.250000 F\n",
"nsites": 14,
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"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.944628819932347,
"density_atomic": 0.08518409464168405,
"volume": 164.34993010008736,
"volume_molar": 7.069560092563479,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy": -79.30371579,
"energy_per_atom": -5.664551127857143,
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"updated_at": "2021-11-28T01:35:37.435000Z",
"spacegroup": 63
},
{
"id": "mp-643930",
"created_at": "2022-09-04T14:42:00.719366Z",
"structure_string": "Eu8 H16 Pd4\n1.0\n5.401933 0.000000 0.000000\n0.000000 7.476299 0.000000\n0.000000 0.000000 9.525797\nEu H Pd\n8 16 4\ndirect\n0.250000 0.150973 0.591965 Eu\n0.250000 0.650973 0.908035 Eu\n0.750000 0.849027 0.408035 Eu\n0.750000 0.349027 0.091965 Eu\n0.250000 0.488753 0.330729 Eu\n0.250000 0.988753 0.169271 Eu\n0.750000 0.511247 0.669271 Eu\n0.750000 0.011247 0.830729 Eu\n0.521736 0.327292 0.839459 H\n0.978264 0.827292 0.660541 H\n0.021736 0.672708 0.160541 H\n0.478264 0.172708 0.339459 H\n0.478264 0.672708 0.160541 H\n0.021736 0.172708 0.339459 H\n0.978264 0.327292 0.839459 H\n0.521736 0.827292 0.660541 H\n0.250000 0.001596 0.897989 H\n0.250000 0.501596 0.602011 H\n0.750000 0.998404 0.102011 H\n0.750000 0.498404 0.397989 H\n0.250000 0.322562 0.095187 H\n0.250000 0.822562 0.404813 H\n0.750000 0.677438 0.904813 H\n0.750000 0.177438 0.595187 H\n0.250000 0.239608 0.915706 Pd\n0.250000 0.739608 0.584294 Pd\n0.750000 0.760392 0.084294 Pd\n0.750000 0.260392 0.415706 Pd\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"H",
"Pd"
],
"chemical_system": "Eu-H-Pd",
"density": 7.154354338731474,
"density_atomic": 0.07278147519259319,
"volume": 384.7132793874656,
"volume_molar": 8.274276859687587,
"formula_full": "Eu8 H16 Pd4",
"formula_reduced": "Eu2H4Pd",
"formula_anonymous": "AB2C4",
"energy": -172.42928335,
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"updated_at": "2021-11-28T01:35:34.279000Z",
"spacegroup": 62
},
{
"id": "mp-776765",
"created_at": "2022-09-04T14:41:57.249124Z",
"structure_string": "V3 Cr1 Sn2 P6 O24\n1.0\n7.899931 -4.301911 0.000000\n7.899931 4.301911 0.000000\n5.557324 0.000000 7.073295\nV Cr Sn P O\n3 1 2 6 24\ndirect\n0.647905 0.647905 0.647905 V\n0.852990 0.852990 0.852990 V\n0.351944 0.351944 0.351944 V\n0.147049 0.147049 0.147049 Cr\n0.001963 0.001963 0.001963 Sn\n0.500888 0.500888 0.500888 Sn\n0.249767 0.534329 0.963931 P\n0.963931 0.249767 0.534329 P\n0.534329 0.963931 0.249767 P\n0.463843 0.036619 0.749903 P\n0.036619 0.749903 0.463843 P\n0.749903 0.463843 0.036619 P\n0.129540 0.283389 0.508332 O\n0.508332 0.129540 0.283389 O\n0.283389 0.508332 0.129540 O\n0.076363 0.720153 0.937725 O\n0.221765 0.370447 0.986469 O\n0.424836 0.564562 0.779299 O\n0.937725 0.076363 0.720153 O\n0.779299 0.424836 0.564562 O\n0.629051 0.008901 0.783383 O\n0.564562 0.779299 0.424836 O\n0.279652 0.058701 0.923511 O\n0.008901 0.783383 0.629051 O\n0.986469 0.221765 0.370447 O\n0.720153 0.937725 0.076363 O\n0.438371 0.220618 0.575112 O\n0.370447 0.986469 0.221765 O\n0.220618 0.575112 0.438371 O\n0.058701 0.923511 0.279652 O\n0.575112 0.438371 0.220618 O\n0.783383 0.629051 0.008901 O\n0.923511 0.279652 0.058701 O\n0.712763 0.494245 0.871655 O\n0.494245 0.871655 0.712763 O\n0.871655 0.712763 0.494245 O\n",
"nsites": 36,
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"elements": [
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"Cr",
"Sn",
"P",
"O"
],
"chemical_system": "Cr-O-P-Sn-V",
"density": 3.495607286139667,
"density_atomic": 0.07488003083442839,
"volume": 480.76903279596274,
"volume_molar": 8.042385523739844,
"formula_full": "V3 Cr1 Sn2 P6 O24",
"formula_reduced": "V3CrSn2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -287.59298812,
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"updated_at": "2021-11-28T01:35:32.434000Z",
"spacegroup": 146
},
{
"id": "mp-1217146",
"created_at": "2022-09-04T14:41:58.432677Z",
"structure_string": "Ti2 V1 Se4\n1.0\n1.754088 6.766764 0.000000\n-1.754088 6.766764 0.000000\n0.000000 2.919778 5.693089\nTi V Se\n2 1 4\ndirect\n0.000102 0.000102 0.999185 Ti\n0.252730 0.252730 0.699425 Ti\n0.747301 0.747301 0.300434 V\n0.111309 0.111309 0.547141 Se\n0.890051 0.890051 0.446280 Se\n0.362298 0.362298 0.974665 Se\n0.636209 0.636209 0.032871 Se\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.682834554792527,
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"volume": 135.14823443352412,
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"formula_full": "Ti2 V1 Se4",
"formula_reduced": "Ti2VSe4",
"formula_anonymous": "AB2C4",
"energy": -47.81872828,
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"updated_at": "2021-11-28T01:35:41.356000Z",
"spacegroup": 8
},
{
"id": "mp-1174318",
"created_at": "2022-09-04T14:41:58.448734Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.440395 15.032759 0.000000\n-1.440395 15.032759 0.000000\n0.000000 0.603259 5.869602\nLi Mn Co O\n8 2 4 14\ndirect\n0.576583 0.576583 0.217526 Li\n0.710716 0.710716 0.640427 Li\n0.852612 0.852612 0.075468 Li\n0.145382 0.145382 0.927604 Li\n0.283255 0.283255 0.353821 Li\n0.427023 0.427023 0.783228 Li\n0.004581 0.004581 0.500878 Li\n0.143376 0.143376 0.426286 Li\n0.002332 0.002332 0.993771 Mn\n0.427926 0.427926 0.291297 Mn\n0.283908 0.283908 0.866902 Co\n0.580774 0.580774 0.695611 Co\n0.707067 0.707067 0.153544 Co\n0.853442 0.853442 0.572736 Co\n0.502902 0.502902 0.215897 O\n0.639901 0.639901 0.685446 O\n0.785194 0.785194 0.096089 O\n0.065717 0.065717 0.941777 O\n0.214366 0.214366 0.367187 O\n0.356780 0.356780 0.806332 O\n0.928404 0.928404 0.516357 O\n0.646659 0.646659 0.173062 O\n0.786303 0.786303 0.621806 O\n0.933854 0.933854 0.058918 O\n0.216227 0.216227 0.917204 O\n0.355971 0.355971 0.339206 O\n0.497917 0.497917 0.778035 O\n0.070828 0.070828 0.483583 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.083752617209869,
"density_atomic": 0.11015369796770584,
"volume": 254.19028608743452,
"volume_molar": 5.467034580868572,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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"spacegroup": 8
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{
"id": "mp-706325",
"created_at": "2022-09-04T14:41:56.709702Z",
"structure_string": "Ca2 Dy2 Mn2 Sn2 O12\n1.0\n5.828487 0.000000 0.000000\n0.000000 5.461142 0.000000\n0.000000 5.409392 7.712215\nCa Dy Mn Sn O\n2 2 2 2 12\ndirect\n0.808587 0.235889 0.251444 Ca\n0.191413 0.235889 0.751444 Ca\n0.327005 0.773483 0.247474 Dy\n0.672995 0.773483 0.747474 Dy\n0.753873 0.503295 0.500184 Mn\n0.246127 0.503295 0.000184 Mn\n0.239433 0.001296 0.500446 Sn\n0.760567 0.001296 0.000446 Sn\n0.792205 0.382480 0.741827 O\n0.070370 0.136988 0.054880 O\n0.072250 0.752669 0.436818 O\n0.552162 0.843788 0.449105 O\n0.557282 0.233179 0.058576 O\n0.293155 0.636932 0.759245 O\n0.207795 0.382480 0.241827 O\n0.927750 0.752669 0.936818 O\n0.929630 0.136988 0.554880 O\n0.442718 0.233179 0.558576 O\n0.447838 0.843788 0.949105 O\n0.706845 0.636932 0.259245 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ca-Dy-Mn-O-Sn",
"density": 6.388623417580638,
"density_atomic": 0.08147259814513555,
"volume": 245.48130850536933,
"volume_molar": 7.391614968841596,
"formula_full": "Ca2 Dy2 Mn2 Sn2 O12",
"formula_reduced": "CaDyMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -155.29438469000002,
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{
"id": "mp-1324966",
"created_at": "2022-09-04T14:41:57.283279Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.917058 0.000000 0.000000\n-1.604518 6.368024 0.000000\n-1.268475 -3.648680 6.642967\nLi Mn Co O\n8 2 4 14\ndirect\n0.793321 0.425203 0.865666 Li\n0.076657 0.852346 0.717447 Li\n0.352753 0.290067 0.575035 Li\n0.645362 0.711396 0.430963 Li\n0.927928 0.146268 0.287192 Li\n0.215785 0.567661 0.134811 Li\n0.492021 0.008123 0.990741 Li\n0.284839 0.429330 0.855180 Li\n0.002270 0.003594 0.998917 Mn\n0.144866 0.709124 0.430310 Mn\n0.558808 0.845723 0.719032 Co\n0.861692 0.282716 0.578723 Co\n0.430704 0.157393 0.275030 Co\n0.710174 0.569916 0.140042 Co\n0.107863 0.260397 0.074875 O\n0.407675 0.722028 0.922661 O\n0.704230 0.135394 0.802089 O\n0.967910 0.569430 0.622758 O\n0.254415 0.985237 0.491372 O\n0.551996 0.431346 0.347146 O\n0.843768 0.842357 0.214511 O\n0.442494 0.589426 0.621744 O\n0.738670 0.014192 0.508574 O\n0.039317 0.444087 0.363743 O\n0.294566 0.863752 0.209023 O\n0.610864 0.291151 0.087893 O\n0.880244 0.720641 0.938102 O\n0.158809 0.131702 0.796418 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1471119854040674,
"density_atomic": 0.11186273114422005,
"volume": 250.3067796896604,
"volume_molar": 5.383509501690873,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -133.86559333,
"energy_per_atom": -4.7809140475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.35959333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4889711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.251000Z",
"spacegroup": 1
},
{
"id": "mp-1224549",
"created_at": "2022-09-04T14:42:01.651945Z",
"structure_string": "Gd1 Zn1 Si1\n1.0\n2.067666 -3.581302 0.000000\n2.067666 3.581302 0.000000\n0.000000 0.000000 4.105783\nGd Zn Si\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Gd\n0.333333 0.666667 0.500000 Zn\n0.000000 0.000000 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Gd",
"Zn",
"Si"
],
"chemical_system": "Gd-Si-Zn",
"density": 6.847518174670855,
"density_atomic": 0.04933713599154918,
"volume": 60.80612381946657,
"volume_molar": 12.206101223693883,
"formula_full": "Gd1 Zn1 Si1",
"formula_reduced": "GdZnSi",
"formula_anonymous": "ABC",
"energy": -22.57735824,
"energy_per_atom": -7.52578608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.64835824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2788014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.325000Z",
"spacegroup": 187
}
]
}